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.F2 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 76.5(A) Ave N Shift Values>> N :: 120.45(4.18) 1.H3 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 58.4(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 :: 63.5(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 :: 47.5(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 :: 65.7(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 :: 50.1(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 :: 47.1(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 :: 53.2(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 :: 56.0(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 :: 70.4(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V12 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 49.4(A) Ave N Shift Values>> N :: 121.14(4.54) 1.G13 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Suspicious N Shift Assignments>> N :: 44.8(S) Ave N Shift Values>> N :: 109.67(3.87) 1.K14 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 61.0(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T15 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 68.9(A) Ave N Shift Values>> N :: 115.42(4.75) 1.I16 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 40.4(A) Ave N Shift Values>> N :: 121.46(4.28) 1.H17 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 61.1(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R18 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 59.3(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.L19 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 52.6(A) Ave N Shift Values>> N :: 121.86(3.9) 1.V20 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 47.1(A) Ave N Shift Values>> N :: 121.14(4.54) 1.T21 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 50.2(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 :: 123.0(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: 3 #Anomalous: 18 #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: 3 #Anomalous: 18 Error Summary: 1.F2 N = 76.5(A), Expected = 120.45, Std = 4.1800, ChiSquare = 7.4187e-26 1.H3 N = 58.4(A), Expected = 119.69, Std = 4.0000, ChiSquare = 5.4096e-53 1.H4 N = 63.5(A), Expected = 119.69, Std = 4.0000, ChiSquare = 7.9802e-45 1.I5 N = 47.5(A), Expected = 121.46, Std = 4.2800, ChiSquare = 6.6118e-67 1.F6 N = 65.7(A), Expected = 120.45, Std = 4.1800, ChiSquare = 3.3767e-39 1.R7 N = 50.1(A), Expected = 120.80, Std = 3.6800, ChiSquare = 2.9398e-82 1.G8 N = 47.1(S), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4864e-59 1.I9 N = 53.2(A), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9136e-57 1.V10 N = 56.0(A), Expected = 121.14, Std = 4.5400, ChiSquare = 1.0963e-46 1.H11 N = 70.4(A), Expected = 119.69, Std = 4.0000, ChiSquare = 6.8536e-35 1.V12 N = 49.4(A), Expected = 121.14, Std = 4.5400, ChiSquare = 3.0254e-56 1.G13 N = 44.8(S), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6066e-63 1.K14 N = 61.0(A), Expected = 121.05, Std = 3.7700, ChiSquare = 4.0264e-57 1.T15 N = 68.9(A), Expected = 115.42, Std = 4.7500, ChiSquare = 1.1985e-22 1.I16 N = 40.4(A), Expected = 121.46, Std = 4.2800, ChiSquare = 5.4161e-80 1.H17 N = 61.1(A), Expected = 119.69, Std = 4.0000, ChiSquare = 1.3976e-48 1.R18 N = 59.3(A), Expected = 120.80, Std = 3.6800, ChiSquare = 1.0726e-62 1.L19 N = 52.6(A), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4689e-70 1.V20 N = 47.1(A), Expected = 121.14, Std = 4.5400, ChiSquare = 8.6059e-60 1.T21 N = 50.2(A), Expected = 115.42, Std = 4.7500, ChiSquare = 6.6648e-43 1.G22 N = 123.0(S), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7223e-04