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: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 49.40(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 :: 63.90(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 :: 46.70(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 :: 59.80(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 :: 49.86(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 :: 51.90(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 :: 46.70(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 :: 56.70(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 :: 63.60(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 :: 49.10(A) Ave N Shift Values>> N :: 123.23(3.54) 1.G13 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 37.50(A) 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 :: 52.42(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 :: 62.50(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 :: 44.20(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 :: 43.70(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 :: 62.90(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 :: 62.60(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 :: 47.13(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 :: 43.60(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 :: 42.10(A) Ave N Shift Values>> N :: 109.67(3.87) 1.NH223 Overall Status: Residue type NH2 not supported. ########################################################################### Overall Results: #Consistent: 2 #Clerical: 0 #Suspicious: 2 #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: 2 #Anomalous: 18 Error Summary: 1.H3 N = 49.40(A), Expected = 119.69, Std = 4.0000, ChiSquare = 4.0014e-69 1.H4 N = 63.90(A), Expected = 119.69, Std = 4.0000, ChiSquare = 3.2583e-44 1.I5 N = 46.70(A), Expected = 121.46, Std = 4.2800, ChiSquare = 2.5429e-68 1.F6 N = 59.80(A), Expected = 120.45, Std = 4.1800, ChiSquare = 1.0538e-47 1.R7 N = 49.86(A), Expected = 120.80, Std = 3.6800, ChiSquare = 8.3517e-83 1.G8 N = 51.90(S), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1781e-50 1.I9 N = 46.70(A), Expected = 121.46, Std = 4.2800, ChiSquare = 2.5429e-68 1.V10 N = 56.70(A), Expected = 121.14, Std = 4.5400, ChiSquare = 1.0004e-45 1.H11 N = 63.60(A), Expected = 119.69, Std = 4.0000, ChiSquare = 1.1354e-44 1.A12 N = 49.10(A), Expected = 123.23, Std = 3.5400, ChiSquare = 0.0000e+00 1.G13 N = 37.50(A), Expected = 109.67, Std = 3.8700, ChiSquare = 1.2968e-77 1.R14 N = 52.42(A), Expected = 120.80, Std = 3.6800, ChiSquare = 4.5346e-77 1.S15 N = 62.50(A), Expected = 116.28, Std = 3.5200, ChiSquare = 1.0651e-52 1.I16 N = 44.20(A), Expected = 121.46, Std = 4.2800, ChiSquare = 7.6914e-73 1.G17 N = 43.70(S), Expected = 109.67, Std = 3.8700, ChiSquare = 3.7103e-65 1.R18 N = 62.90(A), Expected = 120.80, Std = 3.6800, ChiSquare = 8.8869e-56 1.F19 N = 62.60(A), Expected = 120.45, Std = 4.1800, ChiSquare = 1.4679e-43 1.L20 N = 47.13(A), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7547e-82 1.T21 N = 43.60(A), Expected = 115.42, Std = 4.7500, ChiSquare = 1.1954e-51 1.G22 N = 42.10(A), Expected = 109.67, Std = 3.8700, ChiSquare = 2.8920e-68