Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.F1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I2 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 54.7(A) Ave N Shift Values>> N :: 121.46(4.28) 1.H3 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 59.0(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H4 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 65.3(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I5 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 45.9(A) Ave N Shift Values>> N :: 121.46(4.28) 1.F6 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 67.3(A) Ave N Shift Values>> N :: 120.45(4.18) 1.R7 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 37.5(A) 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.G8 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Suspicious N Shift Assignments>> N :: 44.1(S) Ave N Shift Values>> N :: 109.67(3.87) 1.I9 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 55.6(A) Ave N Shift Values>> N :: 121.46(4.28) 1.V10 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 44.6(A) Ave N Shift Values>> N :: 121.14(4.54) 1.H11 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 57.2(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A12 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 55.6(A) Ave N Shift Values>> N :: 123.23(3.54) 1.G13 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Suspicious N Shift Assignments>> N :: 55.4(S) Ave N Shift Values>> N :: 109.67(3.87) 1.R14 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 49.2(A) 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.S15 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 62.8(A) Ave N Shift Values>> N :: 116.28(3.52) 1.I16 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 38.0(A) Ave N Shift Values>> N :: 121.46(4.28) 1.G17 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Suspicious N Shift Assignments>> N :: 45.1(S) Ave N Shift Values>> N :: 109.67(3.87) 1.R18 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 54.5(A) 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.F19 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 63.2(A) Ave N Shift Values>> N :: 120.45(4.18) 1.L20 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 49.1(A) Ave N Shift Values>> N :: 121.86(3.9) 1.T21 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 43.8(A) Ave N Shift Values>> N :: 115.42(4.75) 1.G22 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Suspicious N Shift Assignments>> N :: 44.6(S) Ave N Shift Values>> N :: 109.67(3.87) 1.NH223 Overall Status: Residue type NH2 not supported. ########################################################################### Overall Results: #Consistent: 1 #Clerical: 0 #Suspicious: 4 #Anomalous: 17 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 0 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 22 Shift Relative Order (SRO) Results: #Consistent: 22 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 17 Error Summary: 1.I2 N = 54.7(A), Expected = 121.46, Std = 4.2800, ChiSquare = 7.4957e-55 1.H3 N = 59.0(A), Expected = 119.69, Std = 4.0000, ChiSquare = 5.3788e-52 1.H4 N = 65.3(A), Expected = 119.69, Std = 4.0000, ChiSquare = 4.1436e-42 1.I5 N = 45.9(A), Expected = 121.46, Std = 4.2800, ChiSquare = 9.4453e-70 1.F6 N = 67.3(A), Expected = 120.45, Std = 4.1800, ChiSquare = 4.8617e-37 1.R7 N = 37.5(A), Expected = 120.80, Std = 3.6800, ChiSquare = 0.0000e+00 1.G8 N = 44.1(S), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1622e-64 1.I9 N = 55.6(A), Expected = 121.46, Std = 4.2800, ChiSquare = 1.9748e-53 1.V10 N = 44.6(A), Expected = 121.14, Std = 4.5400, ChiSquare = 9.0054e-64 1.H11 N = 57.2(A), Expected = 119.69, Std = 4.0000, ChiSquare = 5.1160e-55 1.A12 N = 55.6(A), Expected = 123.23, Std = 3.5400, ChiSquare = 2.3155e-81 1.G13 N = 55.4(S), Expected = 109.67, Std = 3.8700, ChiSquare = 1.1234e-44 1.R14 N = 49.2(A), Expected = 120.80, Std = 3.6800, ChiSquare = 2.5662e-84 1.S15 N = 62.8(A), Expected = 116.28, Std = 3.5200, ChiSquare = 3.9240e-52 1.I16 N = 38.0(A), Expected = 121.46, Std = 4.2800, ChiSquare = 1.0978e-84 1.G17 N = 45.1(S), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6920e-62 1.R18 N = 54.5(A), Expected = 120.80, Std = 3.6800, ChiSquare = 1.4512e-72 1.F19 N = 63.2(A), Expected = 120.45, Std = 4.1800, ChiSquare = 1.0702e-42 1.L20 N = 49.1(A), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1201e-77 1.T21 N = 43.8(A), Expected = 115.42, Std = 4.7500, ChiSquare = 2.2637e-51 1.G22 N = 44.6(S), Expected = 109.67, Std = 3.8700, ChiSquare = 1.9287e-63