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 :: 82.0(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 :: 62.5(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 :: 71.5(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 :: 51.3(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 :: 67.4(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 :: 41.5(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 :: 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 :: 51.8(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 :: 44.2(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 :: 61.5(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 :: 51.4(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 :: 54.6(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 :: 50.3(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.S15 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 65.6(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 :: 36.5(A) Ave N Shift Values>> N :: 121.46(4.28) 1.G17 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 41.8(A) 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 :: 57.8(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 :: 58.6(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 :: 50.0(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 :: 41.1(A) Ave N Shift Values>> N :: 115.42(4.75) 1.G22 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 39.0(A) 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: 2 #Anomalous: 19 #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: 2 #Anomalous: 19 Error Summary: 1.I2 N = 82.0(A), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9814e-20 1.H3 N = 62.5(A), Expected = 119.69, Std = 4.0000, ChiSquare = 2.2681e-46 1.H4 N = 71.5(A), Expected = 119.69, Std = 4.0000, ChiSquare = 1.9992e-33 1.I5 N = 51.3(A), Expected = 121.46, Std = 4.2800, ChiSquare = 2.1628e-60 1.F6 N = 67.4(A), Expected = 120.45, Std = 4.1800, ChiSquare = 6.6006e-37 1.R7 N = 41.5(A), Expected = 120.80, Std = 3.6800, ChiSquare = 0.0000e+00 1.G8 N = 47.1(S), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4864e-59 1.I9 N = 51.8(A), Expected = 121.46, Std = 4.2800, ChiSquare = 1.4683e-59 1.V10 N = 44.2(A), Expected = 121.14, Std = 4.5400, ChiSquare = 2.0206e-64 1.H11 N = 61.5(A), Expected = 119.69, Std = 4.0000, ChiSquare = 6.0577e-48 1.A12 N = 51.4(A), Expected = 123.23, Std = 3.5400, ChiSquare = 0.0000e+00 1.G13 N = 54.6(S), Expected = 109.67, Std = 3.8700, ChiSquare = 5.9704e-46 1.R14 N = 50.3(A), Expected = 120.80, Std = 3.6800, ChiSquare = 8.3628e-82 1.S15 N = 65.6(A), Expected = 116.28, Std = 3.5200, ChiSquare = 5.3473e-47 1.I16 N = 36.5(A), Expected = 121.46, Std = 4.2800, ChiSquare = 1.0918e-87 1.G17 N = 41.8(A), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4159e-69 1.R18 N = 57.8(A), Expected = 120.80, Std = 3.6800, ChiSquare = 1.0606e-65 1.F19 N = 58.6(A), Expected = 120.45, Std = 4.1800, ChiSquare = 1.5396e-49 1.L20 N = 50.0(A), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1816e-76 1.T21 N = 41.1(A), Expected = 115.42, Std = 4.7500, ChiSquare = 3.5202e-55 1.G22 N = 39.0(A), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6922e-74