Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.ACE1 Overall Status: Residue type ACE not supported. 1.R2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.47 C 0.47 G 0.04 C Shift Assignments>> CA :: 58.25(D) CB :: 30.95(D) CG :: 27.0(D) CD :: 43.1(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 4.08(D) HB2 :: 1.92(D) HB3 :: 1.93(D) HG2 :: 1.66(D) HG3 :: 1.66(D) HD2 :: 3.19(D) HD3 :: 3.19(D) HE :: 7.22 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.G3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.92 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.1(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.90 HA2 :: 4.01(D) HA3 :: 4.01(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.G4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.92 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.1(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.44 HA2 :: 3.87(D) HA3 :: 3.87(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Y5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> Y 0.62 C 0.37 C Shift Assignments>> CA :: 58.37(D) CB :: 38.46(D) CD1 :: 133.0(D) CD2 :: 133.0(D) CE1 :: 117.9(D) CE2 :: 117.9(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.39 HA :: 4.51(D) HB2 :: 3.01(D) HB3 :: 2.91(D) HD1 :: 7.07(D) HD2 :: 7.07(D) HE1 :: 6.79(D) HE2 :: 6.79(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.G6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.92 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.1(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.60 HA2 :: 3.82(D) HA3 :: 3.82(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.G7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.92 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.1(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.89 HA2 :: 3.89(D) HA3 :: 3.89(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.R8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.53 C 0.41 G 0.04 C Shift Assignments>> CA :: 56.3(D) CB :: 30.4(D) CG :: 27.0(D) CD :: 43.1(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.42 HA :: 4.28(D) HB2 :: 1.87(D) HB3 :: 1.74(D) HG2 :: 1.62(D) HG3 :: 1.56(D) HD2 :: 3.19(D) HD3 :: 3.19(D) HE :: 7.19 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.G9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.92 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.1(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.62 HA2 :: 3.91(D) HA3 :: 3.91(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.G10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.92 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.1(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.25 HA2 :: 3.87(D) HA3 :: 3.87(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.W11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> CA :: 57.5(D) CB :: 29.3(D) CD1 :: 126.8(D) CE3 :: 120.7(D) CZ2 :: 114.4(D) CZ3 :: 121.9(D) CH2 :: 124.5(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.28 HA :: 4.64(D) HB2 :: 3.29(D) HB3 :: 3.21(D) HD1 :: 7.21(D) HE1 :: 10.17 HE3 :: 7.58(D) HZ2 :: 7.45(D) HZ3 :: 7.13(D) HH2 :: 7.22(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) N Shift Assignments>> NE1 :: 129.5 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.92 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.1(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.56 HA2 :: 3.79(D) HA3 :: 3.79(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.G13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.92 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.1(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.24 HA2 :: 3.81(D) HA3 :: 3.81(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.R14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.53 C 0.41 G 0.05 C Shift Assignments>> CA :: 56.1(D) CB :: 30.6(D) CG :: 27.0(D) CD :: 43.1(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.29 HA :: 4.33(D) HB2 :: 1.90(D) HB3 :: 1.77(D) HG2 :: 1.61(D) HG3 :: 1.61(D) HD2 :: 3.19(D) HD3 :: 3.19(D) HE :: 7.19 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.G15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.92 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.1(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.61 HA2 :: 3.91(D) HA3 :: 3.91(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.G16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.92 C 0.03 R 0.02 C Shift Assignments>> CA :: 45.1(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.88 HA2 :: 3.80(D) HA3 :: 3.80(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Y17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> Y 0.65 C 0.34 C Shift Assignments>> CA :: 59.2(D) CB :: 39.2(D) CD1 :: 133.0(D) CD2 :: 133.0(D) CE1 :: 117.9(D) CE2 :: 117.9(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.94 HA :: 4.45(D) HB2 :: 3.06(D) HB3 :: 2.87(D) HD1 :: 7.07(D) HD2 :: 7.07(D) HE1 :: 6.79(D) HE2 :: 6.79(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.NH218 Overall Status: Residue type NH2 not supported. ########################################################################### Overall Results: #Consistent: 0 #Clerical: 16 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 16 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 16 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 41 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 19 #Duplicate: 63 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 1 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R2 CA = 58.25(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.2172e-01 1.R2 CB = 30.95(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.9134e-01 1.R2 CG = 27.0(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.6108e-01 1.R2 CD = 43.1(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.4564e-01 1.R2 HA = 4.08(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.3246e-01 1.R2 HB2 = 1.92(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.3017e-01 1.R2 HB3 = 1.93(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.4376e-01 1.R2 HG2 = 1.66(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.3888e-01 1.R2 HG3 = 1.66(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.7903e-01 1.R2 HD2 = 3.19(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.7054e-01 1.R2 HD3 = 3.19(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.2923e-01 1.G3 CA = 45.1(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5200e-01 1.G3 HA2 = 4.01(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.1391e-01 1.G3 HA3 = 4.01(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.6624e-01 1.G4 CA = 45.1(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5200e-01 1.G4 HA2 = 3.87(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.8695e-01 1.G4 HA3 = 3.87(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.3538e-01 1.Y5 CA = 58.37(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.2382e-01 1.Y5 CB = 38.46(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.9052e-01 1.Y5 CD1 = 133.0(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.4416e-01 1.Y5 CD2 = 133.0(D), Expected = 132.73, Std = 1.3000, ChiSquare = 8.3547e-01 1.Y5 CE1 = 117.9(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.7989e-01 1.Y5 CE2 = 117.9(D), Expected = 117.90, Std = 1.1800, ChiSquare = 1.0000e+00 1.Y5 HA = 4.51(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.3032e-01 1.Y5 HB2 = 3.01(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.8695e-01 1.Y5 HB3 = 2.91(D), Expected = 2.84, Std = 0.3900, ChiSquare = 8.5756e-01 1.Y5 HD1 = 7.07(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.4074e-01 1.Y5 HD2 = 7.07(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.4074e-01 1.Y5 HE1 = 6.79(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.9557e-01 1.Y5 HE2 = 6.79(D), Expected = 6.71, Std = 0.2300, ChiSquare = 7.2797e-01 1.G6 CA = 45.1(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5200e-01 1.G6 HA2 = 3.82(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.8518e-01 1.G6 HA3 = 3.82(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.2882e-01 1.G7 CA = 45.1(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5200e-01 1.G7 HA2 = 3.89(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.2882e-01 1.G7 HA3 = 3.89(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.7844e-01 1.R8 CA = 56.3(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.3877e-01 1.R8 CB = 30.4(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.6978e-01 1.R8 CG = 27.0(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.6108e-01 1.R8 CD = 43.1(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.4564e-01 1.R8 HA = 4.28(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.6532e-01 1.R8 HB2 = 1.87(D), Expected = 1.79, Std = 0.2700, ChiSquare = 7.6700e-01 1.R8 HB3 = 1.74(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.4306e-01 1.R8 HG2 = 1.62(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.5308e-01 1.R8 HG3 = 1.56(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.4502e-01 1.R8 HD2 = 3.19(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.7054e-01 1.R8 HD3 = 3.19(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.2923e-01 1.G9 CA = 45.1(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5200e-01 1.G9 HA2 = 3.91(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.7118e-01 1.G9 HA3 = 3.91(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.7844e-01 1.G10 CA = 45.1(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5200e-01 1.G10 HA2 = 3.87(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.8695e-01 1.G10 HA3 = 3.87(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.3538e-01 1.W11 CA = 57.5(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.5055e-01 1.W11 CB = 29.3(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.2391e-01 1.W11 CD1 = 126.8(D), Expected = 126.51, Std = 1.8300, ChiSquare = 8.7409e-01 1.W11 CE3 = 120.7(D), Expected = 120.43, Std = 1.7900, ChiSquare = 8.8010e-01 1.W11 CZ2 = 114.4(D), Expected = 114.26, Std = 1.1200, ChiSquare = 9.0052e-01 1.W11 CZ3 = 121.9(D), Expected = 121.35, Std = 1.5300, ChiSquare = 7.1924e-01 1.W11 CH2 = 124.5(D), Expected = 123.86, Std = 1.4200, ChiSquare = 6.5220e-01 1.W11 HA = 4.64(D), Expected = 4.68, Std = 0.5300, ChiSquare = 9.3984e-01 1.W11 HB2 = 3.29(D), Expected = 3.19, Std = 0.3500, ChiSquare = 7.7510e-01 1.W11 HB3 = 3.21(D), Expected = 3.12, Std = 0.3600, ChiSquare = 8.0259e-01 1.W11 HD1 = 7.21(D), Expected = 7.14, Std = 0.3600, ChiSquare = 8.4583e-01 1.W11 HE3 = 7.58(D), Expected = 7.31, Std = 0.4100, ChiSquare = 5.1019e-01 1.W11 HZ2 = 7.45(D), Expected = 7.28, Std = 0.3300, ChiSquare = 6.0645e-01 1.W11 HZ3 = 7.13(D), Expected = 6.86, Std = 0.4000, ChiSquare = 4.9968e-01 1.W11 HH2 = 7.22(D), Expected = 6.98, Std = 0.3900, ChiSquare = 5.3830e-01 1.G12 CA = 45.1(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5200e-01 1.G12 HA2 = 3.79(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.2662e-01 1.G12 HA3 = 3.79(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.6624e-01 1.G13 CA = 45.1(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5200e-01 1.G13 HA2 = 3.81(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.6543e-01 1.G13 HA3 = 3.81(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.0782e-01 1.R14 CA = 56.1(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.7178e-01 1.R14 CB = 30.6(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.5642e-01 1.R14 CG = 27.0(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.6108e-01 1.R14 CD = 43.1(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.4564e-01 1.R14 HA = 4.33(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.4800e-01 1.R14 HB2 = 1.90(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.8371e-01 1.R14 HB3 = 1.77(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.7151e-01 1.R14 HG2 = 1.61(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.8223e-01 1.R14 HG3 = 1.61(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.0926e-01 1.R14 HD2 = 3.19(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.7054e-01 1.R14 HD3 = 3.19(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.2923e-01 1.G15 CA = 45.1(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5200e-01 1.G15 HA2 = 3.91(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.7118e-01 1.G15 HA3 = 3.91(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.7844e-01 1.G16 CA = 45.1(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5200e-01 1.G16 HA2 = 3.80(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.4590e-01 1.G16 HA3 = 3.80(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.8695e-01 1.Y17 CA = 59.2(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.6989e-01 1.Y17 CB = 39.2(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.5570e-01 1.Y17 CD1 = 133.0(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.4416e-01 1.Y17 CD2 = 133.0(D), Expected = 132.73, Std = 1.3000, ChiSquare = 8.3547e-01 1.Y17 CE1 = 117.9(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.7989e-01 1.Y17 CE2 = 117.9(D), Expected = 117.90, Std = 1.1800, ChiSquare = 1.0000e+00 1.Y17 HA = 4.45(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.4789e-01 1.Y17 HB2 = 3.06(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.8518e-01 1.Y17 HB3 = 2.87(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.3868e-01 1.Y17 HD1 = 7.07(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.4074e-01 1.Y17 HD2 = 7.07(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.4074e-01 1.Y17 HE1 = 6.79(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.9557e-01 1.Y17 HE2 = 6.79(D), Expected = 6.71, Std = 0.2300, ChiSquare = 7.2797e-01