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 :: 51.53(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 :: 47.20(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 :: 63.20(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 :: 42.80(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 :: 63.20(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 :: 53.40(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 :: 43.16(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 :: 54.80(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 :: 51.80(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 :: 67.50(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 :: 47.10(A) Ave N Shift Values>> N :: 121.14(4.54) 1.G13 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Anomalous N Shift Assignments>> N :: 36.51(A) 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 :: 51.60(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 :: 70.90(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 :: 39.80(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 :: 61.00(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 :: 64.05(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 :: 54.20(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 :: 42.90(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 :: 49.40(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 :: 136.70(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: 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.F2 N = 51.53(A), Expected = 120.45, Std = 4.1800, ChiSquare = 4.4724e-61 1.H3 N = 47.20(A), Expected = 119.69, Std = 4.0000, ChiSquare = 2.1175e-73 1.H4 N = 63.20(A), Expected = 119.69, Std = 4.0000, ChiSquare = 2.7602e-45 1.I5 N = 42.80(A), Expected = 121.46, Std = 4.2800, ChiSquare = 1.9528e-75 1.F6 N = 63.20(A), Expected = 120.45, Std = 4.1800, ChiSquare = 1.0702e-42 1.R7 N = 53.40(A), Expected = 120.80, Std = 3.6800, ChiSquare = 6.2577e-75 1.G8 N = 43.16(S), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3780e-66 1.I9 N = 54.80(A), Expected = 121.46, Std = 4.2800, ChiSquare = 1.0805e-54 1.V10 N = 51.80(A), Expected = 121.14, Std = 4.5400, ChiSquare = 1.1550e-52 1.H11 N = 67.50(A), Expected = 119.69, Std = 4.0000, ChiSquare = 6.5667e-39 1.V12 N = 47.10(A), Expected = 121.14, Std = 4.5400, ChiSquare = 8.6059e-60 1.G13 N = 36.51(A), Expected = 109.67, Std = 3.8700, ChiSquare = 1.0494e-79 1.K14 N = 51.60(A), Expected = 121.05, Std = 3.7700, ChiSquare = 8.7914e-76 1.T15 N = 70.90(A), Expected = 115.42, Std = 4.7500, ChiSquare = 7.0746e-21 1.I16 N = 39.80(A), Expected = 121.46, Std = 4.2800, ChiSquare = 3.7425e-81 1.H17 N = 61.00(A), Expected = 119.69, Std = 4.0000, ChiSquare = 9.6715e-49 1.R18 N = 64.05(A), Expected = 120.80, Std = 3.6800, ChiSquare = 1.1790e-53 1.L19 N = 54.20(A), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0170e-67 1.V20 N = 42.90(A), Expected = 121.14, Std = 4.5400, ChiSquare = 1.4892e-66 1.T21 N = 49.40(A), Expected = 115.42, Std = 4.7500, ChiSquare = 6.4280e-44 1.G22 N = 136.70(S), Expected = 109.67, Std = 3.8700, ChiSquare = 2.8588e-12