Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Y1 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.82(D) HB2 :: 2.57(D) HB3 :: 2.70(D) HD1 :: 7.06(D) HD2 :: 7.06(D) HE1 :: 6.82(D) HE2 :: 6.82(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) 1.P2 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 4.41(D) HB2 :: 1.71(D) HB3 :: 2.13(D) HG2 :: 1.86(D) HG3 :: 1.91(D) HD2 :: 3.18(D) HD3 :: 3.62(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.W3 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 7.72(D) HA :: 4.54(D) HB2 :: 3.23(D) HB3 :: 3.23(D) HD1 :: 7.14(D) HE1 :: 10.13(D) HE3 :: 7.63(D) HZ2 :: 7.37(D) HZ3 :: 7.20(D) HH2 :: 7.16(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) 1.F4 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 7.73(D) HA :: 4.50(D) HB2 :: 2.85(D) HB3 :: 2.95(D) HD1 :: 7.27(D) HD2 :: 7.27(D) HE1 :: 7.27(D) HE2 :: 7.27(D) HZ :: 7.27(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.NH25 Overall Status: Residue type NH2 not supported. ########################################################################### Overall Results: #Consistent: 0 #Clerical: 4 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 0 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 4 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 33 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y1 HA = 4.82(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.3439e-01 1.Y1 HB2 = 2.57(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.5814e-01 1.Y1 HB3 = 2.70(D), Expected = 2.84, Std = 0.3900, ChiSquare = 7.1961e-01 1.Y1 HD1 = 7.06(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.6477e-01 1.Y1 HD2 = 7.06(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.6477e-01 1.Y1 HE1 = 6.82(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.0185e-01 1.Y1 HE2 = 6.82(D), Expected = 6.71, Std = 0.2300, ChiSquare = 6.3246e-01 1.P2 HA = 4.41(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.7583e-01 1.P2 HB2 = 1.71(D), Expected = 2.08, Std = 0.3500, ChiSquare = 2.9045e-01 1.P2 HB3 = 2.13(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.1802e-01 1.P2 HG2 = 1.86(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.2135e-01 1.P2 HG3 = 1.91(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.7583e-01 1.P2 HD2 = 3.18(D), Expected = 3.65, Std = 0.3500, ChiSquare = 1.7932e-01 1.P2 HD3 = 3.62(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.7954e-01 1.W3 H = 7.72(D), Expected = 8.29, Std = 0.7900, ChiSquare = 4.7059e-01 1.W3 HA = 4.54(D), Expected = 4.68, Std = 0.5300, ChiSquare = 7.9166e-01 1.W3 HB2 = 3.23(D), Expected = 3.19, Std = 0.3500, ChiSquare = 9.0901e-01 1.W3 HB3 = 3.23(D), Expected = 3.12, Std = 0.3600, ChiSquare = 7.5994e-01 1.W3 HD1 = 7.14(D), Expected = 7.14, Std = 0.3600, ChiSquare = 1.0000e+00 1.W3 HE1 = 10.13(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.3961e-01 1.W3 HE3 = 7.63(D), Expected = 7.31, Std = 0.4100, ChiSquare = 4.3510e-01 1.W3 HZ2 = 7.37(D), Expected = 7.28, Std = 0.3300, ChiSquare = 7.8506e-01 1.W3 HZ3 = 7.20(D), Expected = 6.86, Std = 0.4000, ChiSquare = 3.9533e-01 1.W3 HH2 = 7.16(D), Expected = 6.98, Std = 0.3900, ChiSquare = 6.4441e-01 1.F4 H = 7.73(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.8157e-01 1.F4 HA = 4.50(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.1959e-01 1.F4 HB2 = 2.85(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.8518e-01 1.F4 HB3 = 2.95(D), Expected = 2.93, Std = 0.4000, ChiSquare = 9.6012e-01 1.F4 HD1 = 7.27(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.9814e-01 1.F4 HD2 = 7.27(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.9814e-01 1.F4 HE1 = 7.27(D), Expected = 7.08, Std = 0.3100, ChiSquare = 5.3994e-01 1.F4 HE2 = 7.27(D), Expected = 7.08, Std = 0.3200, ChiSquare = 5.5268e-01 1.F4 HZ = 7.27(D), Expected = 7.00, Std = 0.4200, ChiSquare = 5.2032e-01