Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.ACE1 Overall Status: Residue type ACE not supported. 1.F2 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.547(D) HA :: 4.573(D) HB2 :: 3.027(D) HB3 :: 2.993(D) HD1 :: 7.199(D) HD2 :: 7.199(D) HE1 :: 7.230(D) HE2 :: 7.230(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.P3 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> HA :: 3.793(D) HB2 :: 1.535(D) HB3 :: 1.535(D) HG2 :: 1.744(D) HG3 :: 1.744(D) HD2 :: 2.935(D) HD3 :: 3.634(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.R4 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.413(D) HA :: 3.914(D) HB2 :: 1.910(D) HB3 :: 1.910(D) HG2 :: 1.618(D) HG3 :: 1.740(D) HD2 :: 3.264(D) HD3 :: 3.264(D) HE :: 7.770(D) 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.I5 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.109(D) HA :: 3.890(D) HB :: 1.944(D) HG12 :: 1.565(D) HG13 :: 1.565(D) HG21 :: 0.851(D) HG22 :: 0.851(D) HG23 :: 0.851(D) HD11 :: 0.919(D) HD12 :: 0.919(D) HD13 :: 0.919(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.W6 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.083(D) HA :: 4.375(D) HB2 :: 3.307(D) HB3 :: 3.307(D) HD1 :: 7.318(D) HE1 :: 10.678(D) HE3 :: 7.358(D) HZ2 :: 7.451(D) HZ3 :: 6.863(D) HH2 :: 7.033(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.L7 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.049(D) HA :: 3.924(D) HB2 :: 1.842(D) HB3 :: 1.842(D) HG :: 1.565(D) HD11 :: 0.915(D) HD12 :: 0.915(D) HD13 :: 0.915(D) HD21 :: 0.915(D) HD22 :: 0.915(D) HD23 :: 0.915(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.H8 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.300(D) HA :: 4.142(D) HB2 :: 3.269(D) HB3 :: 3.346(D) HD2 :: 7.035(D) HE1 :: 8.052(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.N9 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.536(D) HA :: 4.395(D) HB2 :: 2.735(D) HB3 :: 2.909(D) HD21 :: 6.873(D) HD22 :: 7.649(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) 1.L10 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.238(D) HA :: 4.072(D) HB2 :: 1.727(D) HB3 :: 1.727(D) HG :: 1.296(D) HD11 :: 0.805(D) HD12 :: 0.805(D) HD13 :: 0.805(D) HD21 :: 0.805(D) HD22 :: 0.805(D) HD23 :: 0.805(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.G11 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.609(D) HA2 :: 3.653(D) HA3 :: 3.653(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Q12 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.396(D) HA :: 3.967(D) HB2 :: 2.310(D) HB3 :: 2.310(D) HG2 :: 2.077(D) HG3 :: 2.077(D) HE21 :: 7.003(D) HE22 :: 7.698(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) 1.H13 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.074(D) HA :: 4.475(D) HB2 :: 3.259(D) HB3 :: 3.371(D) HD2 :: 6.772(D) HE1 :: 8.005(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.I14 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.592(D) HA :: 3.647(D) HB :: 2.079(D) HG12 :: 1.298(D) HG13 :: 1.220(D) HG21 :: 0.968(D) HG22 :: 0.968(D) HG23 :: 0.968(D) HD11 :: 0.861(D) HD12 :: 0.861(D) HD13 :: 0.861(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.Y15 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.594(D) HA :: 4.021(D) HB2 :: 3.045(D) HB3 :: 3.162(D) HD1 :: 7.004(D) HD2 :: 7.004(D) HE1 :: 6.825(D) HE2 :: 6.825(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.E16 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.516(D) HA :: 3.858(D) HB2 :: 1.995(D) HB3 :: 2.116(D) HG2 :: 2.329(D) HG3 :: 2.504(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.T17 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 7.789(D) HA :: 3.805(D) HB :: 3.698(D) HG21 :: 0.626(D) HG22 :: 0.626(D) HG23 :: 0.626(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.Y18 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 8.041(D) HA :: 3.669(D) HB2 :: 2.679(D) HB3 :: 3.121(D) HD1 :: 7.088(D) HD2 :: 7.088(D) HE1 :: 6.709(D) HE2 :: 6.709(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.G19 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Indeterminable H Shift Assignments>> H :: 7.725(D) HA2 :: 3.523(D) HA3 :: 3.795(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.NH220 Overall Status: Residue type NH2 not supported. ########################################################################### Overall Results: #Consistent: 0 #Clerical: 18 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 0 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 18 Shift Relative Order (SRO) Results: #Consistent: 18 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 138 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F2 H = 8.547(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.9508e-01 1.F2 HA = 4.573(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.2034e-01 1.F2 HB2 = 3.027(D), Expected = 3.00, Std = 0.3700, ChiSquare = 9.4183e-01 1.F2 HB3 = 2.993(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.7485e-01 1.F2 HD1 = 7.199(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.5387e-01 1.F2 HD2 = 7.199(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.5387e-01 1.F2 HE1 = 7.230(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.2848e-01 1.F2 HE2 = 7.230(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.3925e-01 1.P3 HA = 3.793(D), Expected = 4.40, Std = 0.3300, ChiSquare = 6.5857e-02 1.P3 HB2 = 1.535(D), Expected = 2.08, Std = 0.3500, ChiSquare = 1.1944e-01 1.P3 HB3 = 1.535(D), Expected = 2.00, Std = 0.3600, ChiSquare = 1.9647e-01 1.P3 HG2 = 1.744(D), Expected = 1.93, Std = 0.3100, ChiSquare = 5.4851e-01 1.P3 HG3 = 1.744(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.3641e-01 1.P3 HD2 = 2.935(D), Expected = 3.65, Std = 0.3500, ChiSquare = 4.1067e-02 1.P3 HD3 = 3.634(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.5093e-01 1.R4 H = 8.413(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.7671e-01 1.R4 HA = 3.914(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.0140e-01 1.R4 HB2 = 1.910(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.5672e-01 1.R4 HB3 = 1.910(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.9216e-01 1.R4 HG2 = 1.618(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.5890e-01 1.R4 HG3 = 1.740(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.9041e-01 1.R4 HD2 = 3.264(D), Expected = 3.12, Std = 0.2400, ChiSquare = 5.4851e-01 1.R4 HD3 = 3.264(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.2819e-01 1.R4 HE = 7.770(D), Expected = 7.40, Std = 0.6300, ChiSquare = 5.5700e-01 1.I5 H = 8.109(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.0145e-01 1.I5 HA = 3.890(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.0456e-01 1.I5 HB = 1.944(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.7172e-01 1.I5 HG12 = 1.565(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.7616e-01 1.I5 HG13 = 1.565(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.6038e-01 1.I5 HG21 = 0.851(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6418e-01 1.I5 HG22 = 0.851(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6418e-01 1.I5 HG23 = 0.851(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6418e-01 1.I5 HD11 = 0.919(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.0986e-01 1.I5 HD12 = 0.919(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.0986e-01 1.I5 HD13 = 0.919(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.0986e-01 1.W6 H = 8.083(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.9330e-01 1.W6 HA = 4.375(D), Expected = 4.68, Std = 0.5300, ChiSquare = 5.6497e-01 1.W6 HB2 = 3.307(D), Expected = 3.19, Std = 0.3500, ChiSquare = 7.3816e-01 1.W6 HB3 = 3.307(D), Expected = 3.12, Std = 0.3600, ChiSquare = 6.0345e-01 1.W6 HD1 = 7.318(D), Expected = 7.14, Std = 0.3600, ChiSquare = 6.2099e-01 1.W6 HE1 = 10.678(D), Expected = 10.08, Std = 0.6600, ChiSquare = 3.6490e-01 1.W6 HE3 = 7.358(D), Expected = 7.31, Std = 0.4100, ChiSquare = 9.0680e-01 1.W6 HZ2 = 7.451(D), Expected = 7.28, Std = 0.3300, ChiSquare = 6.0433e-01 1.W6 HZ3 = 6.863(D), Expected = 6.86, Std = 0.4000, ChiSquare = 9.9402e-01 1.W6 HH2 = 7.033(D), Expected = 6.98, Std = 0.3900, ChiSquare = 8.9190e-01 1.L7 H = 8.049(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8066e-01 1.L7 HA = 3.924(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.9948e-01 1.L7 HB2 = 1.842(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.9502e-01 1.L7 HB3 = 1.842(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.7108e-01 1.L7 HG = 1.565(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.6763e-01 1.L7 HD11 = 0.915(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.5567e-01 1.L7 HD12 = 0.915(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.5567e-01 1.L7 HD13 = 0.915(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.5567e-01 1.L7 HD21 = 0.915(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.2352e-01 1.L7 HD22 = 0.915(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.2352e-01 1.L7 HD23 = 0.915(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.2352e-01 1.H8 H = 8.300(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.2969e-01 1.H8 HA = 4.142(D), Expected = 4.61, Std = 0.4300, ChiSquare = 2.7643e-01 1.H8 HB2 = 3.269(D), Expected = 3.10, Std = 0.3600, ChiSquare = 6.3875e-01 1.H8 HB3 = 3.346(D), Expected = 3.04, Std = 0.3800, ChiSquare = 4.2067e-01 1.H8 HD2 = 7.035(D), Expected = 7.00, Std = 0.4300, ChiSquare = 9.3513e-01 1.H8 HE1 = 8.052(D), Expected = 7.95, Std = 0.4800, ChiSquare = 8.3172e-01 1.N9 H = 8.536(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.5572e-01 1.N9 HA = 4.395(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.4493e-01 1.N9 HB2 = 2.735(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.0883e-01 1.N9 HB3 = 2.909(D), Expected = 2.75, Std = 0.3300, ChiSquare = 6.2993e-01 1.N9 HD21 = 6.873(D), Expected = 7.35, Std = 0.4800, ChiSquare = 3.2034e-01 1.N9 HD22 = 7.649(D), Expected = 7.14, Std = 0.4900, ChiSquare = 2.9891e-01 1.L10 H = 8.238(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9018e-01 1.L10 HA = 4.072(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.9774e-01 1.L10 HB2 = 1.727(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.3076e-01 1.L10 HB3 = 1.727(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.6529e-01 1.L10 HG = 1.296(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.1667e-01 1.L10 HD11 = 0.805(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4427e-01 1.L10 HD12 = 0.805(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4427e-01 1.L10 HD13 = 0.805(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4427e-01 1.L10 HD21 = 0.805(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.9593e-01 1.L10 HD22 = 0.805(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.9593e-01 1.L10 HD23 = 0.805(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.9593e-01 1.G11 H = 8.609(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.6776e-01 1.G11 HA2 = 3.653(D), Expected = 3.97, Std = 0.3700, ChiSquare = 3.9158e-01 1.G11 HA3 = 3.653(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.0441e-01 1.Q12 H = 8.396(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.6547e-01 1.Q12 HA = 3.967(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.9105e-01 1.Q12 HB2 = 2.310(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.9834e-01 1.Q12 HB3 = 2.310(D), Expected = 2.02, Std = 0.2800, ChiSquare = 3.0034e-01 1.Q12 HG2 = 2.077(D), Expected = 2.32, Std = 0.2700, ChiSquare = 3.6812e-01 1.Q12 HG3 = 2.077(D), Expected = 2.29, Std = 0.2900, ChiSquare = 4.6265e-01 1.Q12 HE21 = 7.003(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.9842e-01 1.Q12 HE22 = 7.698(D), Expected = 7.02, Std = 0.4400, ChiSquare = 1.2334e-01 1.H13 H = 8.074(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.0714e-01 1.H13 HA = 4.475(D), Expected = 4.61, Std = 0.4300, ChiSquare = 7.5356e-01 1.H13 HB2 = 3.259(D), Expected = 3.10, Std = 0.3600, ChiSquare = 6.5873e-01 1.H13 HB3 = 3.371(D), Expected = 3.04, Std = 0.3800, ChiSquare = 3.8373e-01 1.H13 HD2 = 6.772(D), Expected = 7.00, Std = 0.4300, ChiSquare = 5.9595e-01 1.H13 HE1 = 8.005(D), Expected = 7.95, Std = 0.4800, ChiSquare = 9.0878e-01 1.I14 H = 8.592(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.4636e-01 1.I14 HA = 3.647(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.4121e-01 1.I14 HB = 2.079(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.0252e-01 1.I14 HG12 = 1.298(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.6411e-01 1.I14 HG13 = 1.220(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.4167e-01 1.I14 HG21 = 0.968(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.6336e-01 1.I14 HG22 = 0.968(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.6336e-01 1.I14 HG23 = 0.968(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.6336e-01 1.I14 HD11 = 0.861(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3254e-01 1.I14 HD12 = 0.861(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3254e-01 1.I14 HD13 = 0.861(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3254e-01 1.Y15 H = 8.594(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.0741e-01 1.Y15 HA = 4.021(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.7682e-01 1.Y15 HB2 = 3.045(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.1521e-01 1.Y15 HB3 = 3.162(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.0901e-01 1.Y15 HD1 = 7.004(D), Expected = 6.93, Std = 0.3000, ChiSquare = 8.0517e-01 1.Y15 HD2 = 7.004(D), Expected = 6.93, Std = 0.3000, ChiSquare = 8.0517e-01 1.Y15 HE1 = 6.825(D), Expected = 6.70, Std = 0.2300, ChiSquare = 5.8680e-01 1.Y15 HE2 = 6.825(D), Expected = 6.71, Std = 0.2300, ChiSquare = 6.1707e-01 1.E16 H = 8.516(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.5257e-01 1.E16 HA = 3.858(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.3902e-01 1.E16 HB2 = 1.995(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.0524e-01 1.E16 HB3 = 2.116(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.8381e-01 1.E16 HG2 = 2.329(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.7875e-01 1.E16 HG3 = 2.504(D), Expected = 2.25, Std = 0.2200, ChiSquare = 2.4828e-01 1.T17 H = 7.789(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.6697e-01 1.T17 HA = 3.805(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.7238e-01 1.T17 HB = 3.698(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.5263e-01 1.T17 HG21 = 0.626(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.5432e-02 1.T17 HG22 = 0.626(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.5432e-02 1.T17 HG23 = 0.626(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.5432e-02 1.Y18 H = 8.041(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.0232e-01 1.Y18 HA = 3.669(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.6149e-02 1.Y18 HB2 = 2.679(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.3241e-01 1.Y18 HB3 = 3.121(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.7121e-01 1.Y18 HD1 = 7.088(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.9842e-01 1.Y18 HD2 = 7.088(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.9842e-01 1.Y18 HE1 = 6.709(D), Expected = 6.70, Std = 0.2300, ChiSquare = 9.6879e-01 1.Y18 HE2 = 6.709(D), Expected = 6.71, Std = 0.2300, ChiSquare = 9.9653e-01 1.G19 H = 7.725(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.5197e-01 1.G19 HA2 = 3.523(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.2701e-01 1.G19 HA3 = 3.795(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.7658e-01