Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.ACE1 Overall Status: Residue type ACE not supported. 1.Y2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> Y 0.63 C 0.36 C Shift Assignments>> CA :: 58.531 CB :: 38.824 CD1 :: 133.226 CD2 :: 133.226 CE1 :: 118.213 CE2 :: 118.213 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 :: 8.422(D) HA :: 4.492(D) HB2 :: 3.056(D) HB3 :: 2.916(D) HD1 :: 7.139(D) HD2 :: 7.139(D) HE1 :: 6.834(D) HE2 :: 6.834(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.G3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.304 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.677(D) HA2 :: 3.887(D) HA3 :: 3.887(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.R4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.52 C 0.41 G 0.05 C Shift Assignments>> CA :: 56.240 CB :: 30.761 CG :: 27.006 CD :: 43.230 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 :: 8.216(D) HA :: 4.328(D) HB2 :: 1.897(D) HB3 :: 1.757(D) HG2 :: 1.595(D) HG3 :: 1.595(D) HD2 :: 3.194(D) HD3 :: 3.194(D) HE :: 7.520(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.E5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> E 0.53 C 0.45 C Shift Assignments>> CA :: 57.057 CB :: 29.849 CG :: 36.050 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.828(D) HA :: 4.265(D) HB2 :: 2.063(D) HB3 :: 1.933(D) HG2 :: 2.287(D) HG3 :: 2.287(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.D6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> D 0.34 L 0.2 N 0.16 F 0.11 Y 0.09 C 0.07 C Shift Assignments>> CA :: 54.392 CB :: 40.642 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.485(D) HA :: 4.566(D) HB2 :: 2.718(D) HB3 :: 2.623(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> L 0.62 C 0.28 R 0.04 A 0.02 G 0.01 C Shift Assignments>> CA :: 55.539 CB :: 42.386 CG :: 26.944 CD1 :: 25.050 CD2 :: 23.182 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.162(D) HA :: 4.282(D) HB2 :: 1.546(D) HB3 :: 1.670(D) HG :: 1.607(D) HD11 :: 0.902(D) HD12 :: 0.902(D) HD13 :: 0.902(D) HD21 :: 0.825(D) HD22 :: 0.825(D) HD23 :: 0.825(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.D8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> D 0.34 L 0.2 N 0.15 F 0.12 Y 0.1 C 0.07 C Shift Assignments>> CA :: 54.502 CB :: 40.659 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.417(D) HA :: 4.599(D) HB2 :: 2.729(D) HB3 :: 2.676(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.V9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.75 C 0.24 C Shift Assignments>> CA :: 63.355 CB :: 32.291 CG1 :: 20.512 CG2 :: 21.125 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.052(D) HA :: 3.992(D) HB :: 2.149(D) HG11 :: 0.951(D) HG12 :: 0.951(D) HG13 :: 0.951(D) HG21 :: 0.927(D) HG22 :: 0.927(D) HG23 :: 0.927(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.L10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> L 0.62 C 0.3 R 0.03 A 0.02 C Shift Assignments>> CA :: 55.727 CB :: 41.966 CG :: 26.960 CD1 :: 25.071 CD2 :: 23.043 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.276(D) HA :: 4.292(D) HB2 :: 1.756(D) HB3 :: 1.568(D) HG :: 1.642(D) HD11 :: 0.911(D) HD12 :: 0.911(D) HD13 :: 0.911(D) HD21 :: 0.856(D) HD22 :: 0.856(D) HD23 :: 0.856(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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.772 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.300(D) HA2 :: 3.932(D) HA3 :: 3.932(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> L 0.61 C 0.29 R 0.04 A 0.02 G 0.01 C Shift Assignments>> CA :: 55.699 CB :: 42.395 CG :: 26.929 CD1 :: 25.063 CD2 :: 23.148 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.218(D) HA :: 4.339(D) HB2 :: 1.706(D) HB3 :: 1.567(D) HG :: 1.622(D) HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 HD21 :: 0.870(D) HD22 :: 0.870(D) HD23 :: 0.870(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.T13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 62.370 CB :: 69.858 CG2 :: 21.559 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.202(D) HA :: 4.256(D) HB :: 4.138(D) HG21 :: 1.139(D) HG22 :: 1.139(D) HG23 :: 1.139(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.F14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.65 C 0.34 C Shift Assignments>> CA :: 58.310 CB :: 39.505 CD1 :: 131.984 CD2 :: 131.984 CE1 :: 131.647 CE2 :: 131.647 CZ :: 130.125 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.328(D) HA :: 4.570(D) HB2 :: 3.093(D) HB3 :: 3.093(D) HD1 :: 7.251(D) HD2 :: 7.251(D) HE1 :: 7.345(D) HE2 :: 7.345(D) HZ :: 7.296(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.R15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.54 C 0.39 G 0.06 C Shift Assignments>> CA :: 55.751 CB :: 30.758 CG :: 27.096 CD :: 43.260 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 :: 8.302(D) HA :: 4.206(D) HB2 :: 1.812(D) HB3 :: 1.640(D) HG2 :: 1.558(D) HG3 :: 1.558(D) HD2 :: 3.149(D) HD3 :: 3.149(D) HE :: 7.229(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.NH216 Overall Status: Residue type NH2 not supported. ########################################################################### Overall Results: #Consistent: 0 #Clerical: 14 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 14 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 14 #Suspicious: 0 C Shift Results: #Consistent: 52 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 3 #Duplicate: 100 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y2 H = 8.422(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.8888e-01 1.Y2 HA = 4.492(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.0535e-01 1.Y2 HB2 = 3.056(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.9314e-01 1.Y2 HB3 = 2.916(D), Expected = 2.84, Std = 0.3900, ChiSquare = 8.4549e-01 1.Y2 HD1 = 7.139(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.8601e-01 1.Y2 HD2 = 7.139(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.8601e-01 1.Y2 HE1 = 6.834(D), Expected = 6.70, Std = 0.2300, ChiSquare = 5.6016e-01 1.Y2 HE2 = 6.834(D), Expected = 6.71, Std = 0.2300, ChiSquare = 5.8980e-01 1.G3 H = 8.677(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.9345e-01 1.G3 HA2 = 3.887(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.2250e-01 1.G3 HA3 = 3.887(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.7197e-01 1.R4 H = 8.216(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.6862e-01 1.R4 HA = 4.328(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.5146e-01 1.R4 HB2 = 1.897(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.9189e-01 1.R4 HB3 = 1.757(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.9145e-01 1.R4 HG2 = 1.595(D), Expected = 1.57, Std = 0.2700, ChiSquare = 9.2623e-01 1.R4 HG3 = 1.595(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.4958e-01 1.R4 HD2 = 3.194(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.5783e-01 1.R4 HD3 = 3.194(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.1770e-01 1.R4 HE = 7.520(D), Expected = 7.40, Std = 0.6300, ChiSquare = 8.4894e-01 1.E5 H = 8.828(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.9863e-01 1.E5 HA = 4.265(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.7082e-01 1.E5 HB2 = 2.063(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.3776e-01 1.E5 HB3 = 1.933(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.0427e-01 1.E5 HG2 = 2.287(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.3548e-01 1.E5 HG3 = 2.287(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.6644e-01 1.D6 H = 8.485(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.6286e-01 1.D6 HA = 4.566(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.4021e-01 1.D6 HB2 = 2.718(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.9386e-01 1.D6 HB3 = 2.623(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.9487e-01 1.L7 H = 8.162(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.1668e-01 1.L7 HA = 4.282(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.3556e-01 1.L7 HB2 = 1.546(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.5069e-01 1.L7 HB3 = 1.670(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.7692e-01 1.L7 HG = 1.607(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.6880e-01 1.L7 HD11 = 0.902(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.8723e-01 1.L7 HD12 = 0.902(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.8723e-01 1.L7 HD13 = 0.902(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.8723e-01 1.L7 HD21 = 0.825(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.4322e-01 1.L7 HD22 = 0.825(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.4322e-01 1.L7 HD23 = 0.825(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.4322e-01 1.D8 H = 8.417(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.5363e-01 1.D8 HA = 4.599(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.7756e-01 1.D8 HB2 = 2.729(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.7239e-01 1.D8 HB3 = 2.676(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.5443e-01 1.V9 H = 8.052(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.2242e-01 1.V9 HA = 3.992(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.3282e-01 1.V9 HB = 2.149(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.9741e-01 1.V9 HG11 = 0.951(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4166e-01 1.V9 HG12 = 0.951(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4166e-01 1.V9 HG13 = 0.951(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4166e-01 1.V9 HG21 = 0.927(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5014e-01 1.V9 HG22 = 0.927(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5014e-01 1.V9 HG23 = 0.927(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5014e-01 1.L10 H = 8.276(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4358e-01 1.L10 HA = 4.292(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.5249e-01 1.L10 HB2 = 1.756(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.6762e-01 1.L10 HB3 = 1.568(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.9393e-01 1.L10 HG = 1.642(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.8916e-01 1.L10 HD11 = 0.911(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6529e-01 1.L10 HD12 = 0.911(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6529e-01 1.L10 HD13 = 0.911(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6529e-01 1.L10 HD21 = 0.856(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6394e-01 1.L10 HD22 = 0.856(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6394e-01 1.L10 HD23 = 0.856(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6394e-01 1.G11 H = 8.300(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6319e-01 1.G11 HA2 = 3.932(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.1820e-01 1.G11 HA3 = 3.932(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.3108e-01 1.L12 H = 8.218(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8527e-01 1.L12 HA = 4.339(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.6775e-01 1.L12 HB2 = 1.706(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.7767e-01 1.L12 HB3 = 1.567(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.9613e-01 1.L12 HG = 1.622(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.3431e-01 1.L12 HD21 = 0.870(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.2927e-01 1.L12 HD22 = 0.870(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.2927e-01 1.L12 HD23 = 0.870(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.2927e-01 1.T13 H = 8.202(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.5113e-01 1.T13 HA = 4.256(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.7084e-01 1.T13 HB = 4.138(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.2275e-01 1.T13 HG21 = 1.139(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.9653e-01 1.T13 HG22 = 1.139(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.9653e-01 1.T13 HG23 = 1.139(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.9653e-01 1.F14 H = 8.328(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.6455e-01 1.F14 HA = 4.570(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.1617e-01 1.F14 HB2 = 3.093(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.0154e-01 1.F14 HB3 = 3.093(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.8364e-01 1.F14 HD1 = 7.251(D), Expected = 7.06, Std = 0.3100, ChiSquare = 5.3781e-01 1.F14 HD2 = 7.251(D), Expected = 7.06, Std = 0.3100, ChiSquare = 5.3781e-01 1.F14 HE1 = 7.345(D), Expected = 7.08, Std = 0.3100, ChiSquare = 3.9264e-01 1.F14 HE2 = 7.345(D), Expected = 7.08, Std = 0.3200, ChiSquare = 4.0760e-01 1.F14 HZ = 7.296(D), Expected = 7.00, Std = 0.4200, ChiSquare = 4.8096e-01 1.R15 H = 8.302(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.1904e-01 1.R15 HA = 4.206(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.3808e-01 1.R15 HB2 = 1.812(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.3506e-01 1.R15 HB3 = 1.640(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.6823e-01 1.R15 HG2 = 1.558(D), Expected = 1.57, Std = 0.2700, ChiSquare = 9.6455e-01 1.R15 HG3 = 1.558(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.5051e-01 1.R15 HD2 = 3.149(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.0382e-01 1.R15 HD3 = 3.149(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.5051e-01 1.R15 HE = 7.229(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.8606e-01