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


1.ACE1 Overall Status: Residue type ACE not supported.



1.K2	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Unknown 	N Shifts: Indeterminable

	PRTL>>	K 0.44   C 0.43   R 0.07   L 0.03   

	C Shift Assignments>> 	CA :: 58.533	 	CG :: 24.794	 	CD :: 29.589	 	CE :: 42.023	
	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 :: 8.637	 	HA :: 4.077	 	HB2 :: 1.815	 	HB3 :: 1.815	 	HG2 :: 1.474	 	HG3 :: 1.474	
			 	HD2 :: 1.689	 	HD3 :: 1.689	 	HE2 :: 2.962	 	HE3 :: 2.962	 	HZ1 :: 7.770(U)	 	HZ2 :: 7.770(U)	
			 	HZ3 :: 7.770(U)	
	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)



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

	PRTL>>	D 0.24   L 0.2   F 0.15   Y 0.12   K 0.11   C 0.07   N 0.06   I 0.01   

	C Shift Assignments>> 	CA :: 55.579	 	CB :: 40.933	
	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 :: 8.575	 	HA :: 4.431	 	HB2 :: 2.652	 	HB3 :: 2.652	
	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)



1.Q4	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	Q 0.46   K 0.37   E 0.09   R 0.03   I 0.03   

	C Shift Assignments>> 	CB :: 28.788	 	CG :: 34.091	
	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 :: 8.057	 	HA :: 4.100	 	HB2 :: 2.014	 	HB3 :: 2.014	 	HG2 :: 2.296	 	HG3 :: 2.296	
			 	HE21 :: 6.799	 	HE22 :: 7.524	
	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)



1.F5	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	I 0.31   Y 0.25   F 0.24   C 0.16   L 0.01   

	C Shift Assignments>> 	CA :: 60.293	 	CB :: 39.376	
	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 :: 8.230	 	HA :: 4.361	 	HB2 :: 3.167	 	HB3 :: 3.167	 	HD1 :: 7.222	 	HD2 :: 7.222	
			 	HE1 :: 7.222	 	HE2 :: 7.222	
	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)



1.I6	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	I 0.98   C 0.01   

	C Shift Assignments>> 	CA :: 63.680	 	CG2 :: 17.743	
	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 :: 7.941	 	HA :: 3.803	 	HB :: 1.969	 	HG12 :: 1.204	 	HG13 :: 1.651	 	HG21 :: 0.912	
			 	HG22 :: 0.912	 	HG23 :: 0.912	 	HD11 :: 0.883	 	HD12 :: 0.883	 	HD13 :: 0.883	
	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)



1.I7	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	I 0.67   C 0.16   Y 0.08   F 0.07   

	C Shift Assignments>> 	CA :: 63.423	 	CB :: 38.413	
	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 :: 7.783	 	HA :: 3.851	 	HB :: 1.851	 	HG12 :: 1.180	 	HG13 :: 1.592	 	HG21 :: 0.878	
			 	HG22 :: 0.878	 	HG23 :: 0.878	 	HD11 :: 0.837	 	HD12 :: 0.837	 	HD13 :: 0.837	
	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)



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

	PRTL>>	A 0.73   I 0.24   C 0.01   

	C Shift Assignments>> 	CB :: 18.892	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 7.982	 	HA :: 4.104	 	HB1 :: 1.262	 	HB2 :: 1.262	 	HB3 :: 1.262	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)



1.Y9	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	Y 0.27   I 0.25   F 0.23   C 0.19   E 0.02   

	C Shift Assignments>> 	CA :: 59.582	 	CB :: 38.586	
	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 :: 8.034	 	HA :: 4.283	 	HB2 :: 3.067	 	HB3 :: 2.721	 	HD1 :: 6.919	 	HD2 :: 6.919	
			 	HE1 :: 6.587	 	HE2 :: 6.587	
	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.G10	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.106	 	HA2 :: 4.018	 	HA3 :: 3.799	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.G11	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.124	 	HA2 :: 4.056	 	HA3 :: 3.959	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



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

	PRTL>>	L 0.99   

	C Shift Assignments>> 	CD1 :: 24.689	 	CD2 :: 25.330	
	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 :: 8.450	 	HA :: 4.102	 	HB2 :: 1.563	 	HB3 :: 1.563	 	HG :: 1.734	 	HD11 :: 0.960	
			 	HD12 :: 0.960	 	HD13 :: 0.960	 	HD21 :: 0.922	 	HD22 :: 0.922	 	HD23 :: 0.922	
	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)



1.R13	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	R 0.26   G 0.16   F 0.15   C 0.15   Y 0.1   L 0.06   I 0.04   K 0.04   

	C Shift Assignments>> 	CA :: 60.401	 	CD :: 43.494	
	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 :: 8.612	 	HA :: 3.809	 	HB2 :: 1.815	 	HB3 :: 1.815	 	HG2 :: 1.647	 	HG3 :: 1.570	
			 	HD2 :: 3.169	 	HD3 :: 3.169	 	HE :: 7.650	 	HH11 :: 6.922	 	HH12 :: 6.922	 	HH21 :: 6.922	
			 	HH22 :: 6.922	
	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)



1.G14	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.167	 	HA2 :: 4.016	 	HA3 :: 3.897	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.A15	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	A 0.84   I 0.07   C 0.07   

	C Shift Assignments>> 	CA :: 55.287	 	CB :: 18.530	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.282	 	HA :: 4.210	 	HB1 :: 1.536	 	HB2 :: 1.536	 	HB3 :: 1.536	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)



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

	PRTL>>	C 0.76   I 0.23   

	C Shift Assignments>> 	CA :: 65.002	 	CB :: 37.656	 	CG2 :: 17.743	 	CD1 :: 18.450	
	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 :: 8.491	 	HA :: 3.707	 	HB :: 2.032	 	HG12 :: 1.139	 	HG13 :: 1.819	 	HG21 :: 0.914	
			 	HG22 :: 0.914	 	HG23 :: 0.914	 	HD11 :: 0.833	 	HD12 :: 0.833	 	HD13 :: 0.833	
	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)



1.A17	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	A 0.71   I 0.17   C 0.1   L 0.01   

	C Shift Assignments>> 	CA :: 55.971	 	CB :: 18.530	
	Ave C Shift Values>> 	C :: 177.74(2.13) 	CA :: 53.14(1.98) 	CB :: 19.01(1.83)

	H Shift Assignments>> 	H :: 8.449	 	HA :: 4.016	 	HB1 :: 1.561	 	HB2 :: 1.561	 	HB3 :: 1.561	
	Ave H Shift Values>> 	H :: 8.2(0.6) 	HA :: 4.26(0.44) 	HB :: 1.35(0.26)



1.F18	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	I 0.33   C 0.17   S 0.11   F 0.11   Y 0.11   E 0.03   R 0.02   K 0.02   H 0.02   Q 0.01   

	C Shift Assignments>> 	CA :: 60.942	
	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 :: 8.384	 	HA :: 4.253	 	HB2 :: 3.315	 	HB3 :: 3.108	 	HD1 :: 7.208	 	HD2 :: 7.208	
			 	HE1 :: 7.260	 	HE2 :: 7.260	
	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)



1.S19	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 8.125	 	HA :: 4.017	 	HB2 :: 3.802	 	HB3 :: 3.802	
	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)



1.L20	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	L 0.99   

	C Shift Assignments>> 	CG :: 27.010	 	CD1 :: 25.484	 	CD2 :: 23.506	
	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 :: 8.449	 	HA :: 4.100	 	HB2 :: 1.537	 	HB3 :: 1.537	 	HG :: 1.860	 	HD11 :: 0.884	
			 	HD12 :: 0.884	 	HD13 :: 0.884	 	HD21 :: 0.852	 	HD22 :: 0.852	 	HD23 :: 0.852	
	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)



1.G21	Overall: Consistent 	Typing: Indeterminable 	SRO: Consistent 	C Shifts: Indeterminable 	H Shifts: Consistent 	N Shifts: Indeterminable


	H Shift Assignments>> 	H :: 7.929	 	HA2 :: 3.849	 	HA3 :: 3.698	
	Ave H Shift Values>> 	H :: 8.33(0.65) 	HA2 :: 3.97(0.37) 	HA3 :: 3.9(0.37)



1.Y22	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	N 0.25   I 0.25   Y 0.2   F 0.14   C 0.07   D 0.04   L 0.01   

	C Shift Assignments>> 	CB :: 38.713	
	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 :: 7.852	 	HA :: 4.118	 	HB2 :: 2.989	 	HB3 :: 2.727	 	HD1 :: 6.975	 	HD2 :: 6.975	
			 	HE1 :: 6.765	 	HE2 :: 6.765	
	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.L23	Overall: Consistent 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Consistent 	N Shifts: Indeterminable

	PRTL>>	R 0.26   L 0.19   C 0.17   Q 0.12   H 0.07   I 0.06   E 0.05   K 0.05   

	C Shift Assignments>> 	CA :: 57.298	 	CG :: 26.983	
	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 :: 7.926	 	HA :: 3.911	 	HB2 :: 1.899	 	HB3 :: 1.899	 	HG :: 1.541	 	HD11 :: 0.925	
			 	HD12 :: 0.925	 	HD13 :: 0.925	 	HD21 :: 0.925	 	HD22 :: 0.925	 	HD23 :: 0.925	
	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)



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

	PRTL>>	L 0.99   

	C Shift Assignments>> 	CD1 :: 25.484	 	CD2 :: 23.506	
	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 :: 8.018	 	HA :: 4.120	 	HB2 :: 1.574	 	HB3 :: 1.574	 	HG :: 1.766	 	HD11 :: 0.882	
			 	HD12 :: 0.882	 	HD13 :: 0.882	 	HD21 :: 0.853	 	HD22 :: 0.853	 	HD23 :: 0.853	
	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)



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

	PRTL>>	D 0.28   F 0.19   L 0.13   Y 0.13   I 0.07   K 0.07   N 0.05   C 0.04   

	C Shift Assignments>> 	CB :: 40.933	
	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 :: 7.764	 	HA :: 4.452	 	HB2 :: 2.677	 	HB3 :: 2.677	
	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)



1.K26	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Unknown 	N Shifts: Indeterminable

	PRTL>>	K 0.63   L 0.31   R 0.03   G 0.01   

	C Shift Assignments>> 	CG :: 24.589	 	CD :: 28.507	 	CE :: 42.155	
	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 :: 7.981	 	HA :: 4.118	 	HB2 :: 1.762	 	HB3 :: 1.735	 	HG2 :: 1.301	 	HG3 :: 1.301	
			 	HD2 :: 1.556	 	HD3 :: 1.556	 	HE2 :: 2.918	 	HE3 :: 2.831	 	HZ1 :: 7.631(U)	 	HZ2 :: 7.631(U)	
			 	HZ3 :: 7.631(U)	
	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)



1.K27	Overall: Clerical 	Typing: Consistent 	SRO: Consistent 	C Shifts: Consistent 	H Shifts: Unknown 	N Shifts: Indeterminable

	PRTL>>	K 0.43   C 0.3   L 0.18   R 0.07   

	C Shift Assignments>> 	CA :: 56.367	 	CG :: 24.794	 	CD :: 28.921	 	CE :: 42.111	
	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 :: 8.058	 	HA :: 4.183	 	HB2 :: 1.854	 	HB3 :: 1.794	 	HG2 :: 1.440	 	HG3 :: 1.440	
			 	HD2 :: 1.663	 	HD3 :: 1.663	 	HE2 :: 2.928	 	HE3 :: 2.928	 	HZ1 :: 7.749(U)	 	HZ2 :: 7.749(U)	
			 	HZ3 :: 7.749(U)	
	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)



1.NH228 Overall Status: Residue type NH2 not supported.





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

Overall Results:

	      #Consistent:  23      #Clerical:   3      #Suspicious:   0      #Anomalous:   0      #Mistyped:   0      #Indeterminable:   0


Typing Results:

	      #Consistent:  21      #Suspicious:   0      #Mistyped:   0      #Indeterminable:   5


Shift Relative Order (SRO) Results:

	      #Consistent:  26      #Suspicious:   0


C Shift Results:

	      #Consistent:  46      #Duplicate:   0      #Unknown:   0      #Suspicious:   0      #Anomalous:   0


H Shift Results:

	      #Consistent: 199      #Duplicate:   0      #Unknown:   9      #Suspicious:   0      #Anomalous:   0


N Shift Results:

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



Error Summary:

1.K2	HZ1 = 7.770(U)
1.K2	HZ2 = 7.770(U)
1.K2	HZ3 = 7.770(U)
1.K26	HZ1 = 7.631(U)
1.K26	HZ2 = 7.631(U)
1.K26	HZ3 = 7.631(U)
1.K27	HZ1 = 7.749(U)
1.K27	HZ2 = 7.749(U)
1.K27	HZ3 = 7.749(U)