Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.F1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 1 C Shift Assignments>> CA :: 56.051(D) CB :: 39.137(D) CD1 :: 131.792 CD2 :: 131.792 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> HA :: 4.273(D) HB2 :: 3.130(D) HB3 :: 3.130(D) HD1 :: 7.314(D) HD2 :: 7.314(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) 1.F2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.59 I 0.3 L 0.06 N 0.03 C Shift Assignments>> CA :: 58.049(D) CB :: 38.867(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.920(D) HA :: 4.526(D) HB2 :: 3.079(D) HB3 :: 3.022(D) HD1 :: 7.183(D) HD2 :: 7.183(D) Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) 1.F3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.51 I 0.44 L 0.02 C Shift Assignments>> CA :: 59.283(D) CB :: 38.906(D) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.450(D) HA :: 4.306(D) HB2 :: 3.132(D) HB3 :: 3.021(D) HD1 :: 7.161(D) HD2 :: 7.161(D) HE1 :: 7.317 HE2 :: 7.317 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) 1.L4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> L 0.93 R 0.04 A 0.01 C Shift Assignments>> CA :: 56.454(D) CB :: 41.023(D) CG :: 26.802(D) CD1 :: 25.315(D) CD2 :: 23.201(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.052(D) HA :: 3.990(D) HB2 :: 1.768(D) HB3 :: 1.602(D) HG :: 1.624(D) HD11 :: 0.981(D) HD12 :: 0.981(D) HD13 :: 0.981(D) HD21 :: 0.911(D) HD22 :: 0.911(D) HD23 :: 0.911(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) 1.S5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 1 C Shift Assignments>> CA :: 60.950(D) CB :: 61.931(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.249(D) HA :: 4.195(D) HB2 :: 3.907(D) HB3 :: 3.907(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.R6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.85 L 0.14 C Shift Assignments>> CA :: 56.860(D) CB :: 29.582(D) CG :: 26.619(D) CD :: 42.526(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.859(D) HA :: 4.137(D) HB2 :: 1.793(D) HB3 :: 1.793(D) HG2 :: 1.569(D) HG3 :: 1.569(D) HD2 :: 3.113(D) HD3 :: 3.113(D) HE :: 7.527 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.I7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 62.296(D) CB :: 37.969(D) CG1 :: 27.140(D) CG2 :: 16.792(D) CD1 :: 12.762(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.440(D) HA :: 3.799(D) HB :: 1.546(D) HG12 :: 1.261(D) HG13 :: 0.964(D) HG21 :: 0.329(D) HG22 :: 0.329(D) HG23 :: 0.329(D) HD11 :: 0.678(D) HD12 :: 0.678(D) HD13 :: 0.678(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) 1.NFA8 Overall Status: Residue type NFA not supported. ########################################################################### Overall Results: #Consistent: 0 #Clerical: 7 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 7 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 7 #Suspicious: 0 C Shift Results: #Consistent: 2 #Duplicate: 22 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 3 #Duplicate: 51 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F1 CA = 56.051(D), Expected = 58.25, Std = 2.7300, ChiSquare = 4.2053e-01 1.F1 CB = 39.137(D), Expected = 39.95, Std = 2.0400, ChiSquare = 6.9024e-01 1.F1 HA = 4.273(D), Expected = 4.62, Std = 0.5800, ChiSquare = 5.4966e-01 1.F1 HB2 = 3.130(D), Expected = 2.99, Std = 0.3700, ChiSquare = 7.0515e-01 1.F1 HB3 = 3.130(D), Expected = 2.97, Std = 0.3800, ChiSquare = 6.7372e-01 1.F1 HD1 = 7.314(D), Expected = 6.91, Std = 0.8200, ChiSquare = 6.2224e-01 1.F1 HD2 = 7.314(D), Expected = 6.89, Std = 0.8600, ChiSquare = 6.2200e-01 1.F2 CA = 58.049(D), Expected = 58.25, Std = 2.7300, ChiSquare = 9.4131e-01 1.F2 CB = 38.867(D), Expected = 39.95, Std = 2.0400, ChiSquare = 5.9550e-01 1.F2 H = 8.920(D), Expected = 8.42, Std = 0.7400, ChiSquare = 4.9925e-01 1.F2 HA = 4.526(D), Expected = 4.62, Std = 0.5800, ChiSquare = 8.7125e-01 1.F2 HB2 = 3.079(D), Expected = 2.99, Std = 0.3700, ChiSquare = 8.0991e-01 1.F2 HB3 = 3.022(D), Expected = 2.97, Std = 0.3800, ChiSquare = 8.9116e-01 1.F2 HD1 = 7.183(D), Expected = 6.91, Std = 0.8200, ChiSquare = 7.3919e-01 1.F2 HD2 = 7.183(D), Expected = 6.89, Std = 0.8600, ChiSquare = 7.3333e-01 1.F3 CA = 59.283(D), Expected = 58.25, Std = 2.7300, ChiSquare = 7.0514e-01 1.F3 CB = 38.906(D), Expected = 39.95, Std = 2.0400, ChiSquare = 6.0882e-01 1.F3 H = 8.450(D), Expected = 8.42, Std = 0.7400, ChiSquare = 9.6766e-01 1.F3 HA = 4.306(D), Expected = 4.62, Std = 0.5800, ChiSquare = 5.8825e-01 1.F3 HB2 = 3.132(D), Expected = 2.99, Std = 0.3700, ChiSquare = 7.0114e-01 1.F3 HB3 = 3.021(D), Expected = 2.97, Std = 0.3800, ChiSquare = 8.9324e-01 1.F3 HD1 = 7.161(D), Expected = 6.91, Std = 0.8200, ChiSquare = 7.5953e-01 1.F3 HD2 = 7.161(D), Expected = 6.89, Std = 0.8600, ChiSquare = 7.5267e-01 1.L4 CA = 56.454(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.1601e-01 1.L4 CB = 41.023(D), Expected = 42.37, Std = 1.8600, ChiSquare = 4.6895e-01 1.L4 CG = 26.802(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.7958e-01 1.L4 CD1 = 25.315(D), Expected = 24.73, Std = 1.7100, ChiSquare = 7.3227e-01 1.L4 CD2 = 23.201(D), Expected = 24.10, Std = 1.7800, ChiSquare = 6.1352e-01 1.L4 H = 8.052(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.9605e-01 1.L4 HA = 3.990(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.8260e-01 1.L4 HB2 = 1.768(D), Expected = 1.63, Std = 0.3400, ChiSquare = 6.8483e-01 1.L4 HB3 = 1.602(D), Expected = 1.57, Std = 0.3600, ChiSquare = 9.2917e-01 1.L4 HG = 1.624(D), Expected = 1.54, Std = 0.3300, ChiSquare = 7.9907e-01 1.L4 HD11 = 0.981(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.3452e-01 1.L4 HD12 = 0.981(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.3452e-01 1.L4 HD13 = 0.981(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.3452e-01 1.L4 HD21 = 0.911(D), Expected = 0.76, Std = 0.2800, ChiSquare = 5.8969e-01 1.L4 HD22 = 0.911(D), Expected = 0.76, Std = 0.2800, ChiSquare = 5.8969e-01 1.L4 HD23 = 0.911(D), Expected = 0.76, Std = 0.2800, ChiSquare = 5.8969e-01 1.S5 CA = 60.950(D), Expected = 58.57, Std = 2.1200, ChiSquare = 2.6159e-01 1.S5 CB = 61.931(D), Expected = 63.80, Std = 1.5700, ChiSquare = 2.3387e-01 1.S5 H = 8.249(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.4728e-01 1.S5 HA = 4.195(D), Expected = 4.51, Std = 0.4300, ChiSquare = 4.6383e-01 1.S5 HB2 = 3.907(D), Expected = 3.88, Std = 0.2900, ChiSquare = 9.2582e-01 1.S5 HB3 = 3.907(D), Expected = 3.87, Std = 0.3100, ChiSquare = 9.0499e-01 1.R6 CA = 56.860(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.7021e-01 1.R6 CB = 29.582(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.4250e-01 1.R6 CG = 26.619(D), Expected = 27.31, Std = 1.6500, ChiSquare = 6.7537e-01 1.R6 CD = 42.526(D), Expected = 43.10, Std = 1.1000, ChiSquare = 6.0180e-01 1.R6 H = 7.859(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.2543e-01 1.R6 HA = 4.137(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.6244e-01 1.R6 HB2 = 1.793(D), Expected = 1.79, Std = 0.2800, ChiSquare = 9.9145e-01 1.R6 HB3 = 1.793(D), Expected = 1.78, Std = 0.2800, ChiSquare = 9.6297e-01 1.R6 HG2 = 1.569(D), Expected = 1.58, Std = 0.2700, ChiSquare = 9.6750e-01 1.R6 HG3 = 1.569(D), Expected = 1.58, Std = 0.2700, ChiSquare = 9.6750e-01 1.R6 HD2 = 3.113(D), Expected = 3.13, Std = 0.2300, ChiSquare = 9.4108e-01 1.R6 HD3 = 3.113(D), Expected = 3.13, Std = 0.2200, ChiSquare = 9.3841e-01 1.I7 CA = 62.296(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.9953e-01 1.I7 CB = 37.969(D), Expected = 38.58, Std = 2.0900, ChiSquare = 7.7002e-01 1.I7 CG1 = 27.140(D), Expected = 27.65, Std = 2.3200, ChiSquare = 8.2601e-01 1.I7 CG2 = 16.792(D), Expected = 17.36, Std = 1.6000, ChiSquare = 7.2259e-01 1.I7 CD1 = 12.762(D), Expected = 13.41, Std = 1.9100, ChiSquare = 7.3441e-01 1.I7 H = 7.440(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.4812e-01 1.I7 HA = 3.799(D), Expected = 4.20, Std = 0.5600, ChiSquare = 4.7395e-01 1.I7 HB = 1.546(D), Expected = 1.80, Std = 0.3100, ChiSquare = 4.1258e-01 1.I7 HG12 = 1.261(D), Expected = 1.30, Std = 0.4000, ChiSquare = 9.2233e-01 1.I7 HG13 = 0.964(D), Expected = 1.24, Std = 0.4000, ChiSquare = 4.9019e-01 1.I7 HG21 = 0.329(D), Expected = 0.80, Std = 0.2900, ChiSquare = 1.0435e-01 1.I7 HG22 = 0.329(D), Expected = 0.80, Std = 0.2900, ChiSquare = 1.0435e-01 1.I7 HG23 = 0.329(D), Expected = 0.80, Std = 0.2900, ChiSquare = 1.0435e-01 1.I7 HD11 = 0.678(D), Expected = 0.70, Std = 0.3000, ChiSquare = 9.4154e-01 1.I7 HD12 = 0.678(D), Expected = 0.70, Std = 0.3000, ChiSquare = 9.4154e-01 1.I7 HD13 = 0.678(D), Expected = 0.70, Std = 0.3000, ChiSquare = 9.4154e-01