Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.746(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.T2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.31 V 0.29 I 0.26 S 0.08 Y 0.03 C Shift Assignments>> C :: 174.404(D) CA :: 62.199(D) 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 :: 8.286(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) N Shift Assignments>> N :: 116.836(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.36 M 0.3 E 0.14 Y 0.11 S 0.04 C Shift Assignments>> C :: 177.162(D) CA :: 55.539(D) 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 :: 8.266(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) N Shift Assignments>> N :: 125.183(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.31 T 0.29 I 0.23 S 0.12 Y 0.02 C Shift Assignments>> C :: 176.347(D) CA :: 62.520(D) 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 :: 8.129(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) N Shift Assignments>> N :: 121.937(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.29 T 0.29 V 0.27 S 0.06 Y 0.04 C Shift Assignments>> C :: 175.088(D) CA :: 61.916(D) 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 :: 8.179(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) N Shift Assignments>> N :: 117.657(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 174.247(D) CA :: 45.596(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.422(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.629(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.28 Y 0.24 E 0.15 I 0.07 M 0.07 V 0.05 T 0.04 L 0.04 C Shift Assignments>> C :: 174.903(D) CA :: 58.635(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.242(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.067(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.28 Y 0.21 M 0.16 S 0.14 L 0.11 I 0.03 V 0.02 T 0.01 C Shift Assignments>> C :: 176.348(D) CA :: 57.347(D) 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 :: 8.617(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) N Shift Assignments>> N :: 123.105(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 S 0.24 E 0.18 M 0.09 I 0.06 L 0.05 V 0.04 T 0.03 C Shift Assignments>> C :: 175.982(D) CA :: 58.341(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 :: 8.024(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) N Shift Assignments>> N :: 120.095(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.25 M 0.21 Y 0.19 L 0.16 S 0.11 I 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 176.616(D) CA :: 56.946(D) 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 :: 8.220(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) N Shift Assignments>> N :: 121.796(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.31 V 0.29 I 0.25 S 0.09 Y 0.03 C Shift Assignments>> C :: 174.665(D) CA :: 62.255(D) 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 :: 8.075(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) N Shift Assignments>> N :: 114.920(D) Ave N Shift Values>> N :: 115.42(4.75) 1.M12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.31 L 0.28 E 0.17 Y 0.13 S 0.06 I 0.01 C Shift Assignments>> C :: 176.254(D) CA :: 56.012(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.343(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.958(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 M 0.3 E 0.15 Y 0.12 S 0.05 C Shift Assignments>> C :: 177.582(D) CA :: 55.725(D) 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 :: 8.220(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) N Shift Assignments>> N :: 123.372(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.3 V 0.3 I 0.25 S 0.1 Y 0.03 C Shift Assignments>> C :: 174.727(D) CA :: 62.315(D) 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 :: 7.981(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) N Shift Assignments>> N :: 114.375(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.25 M 0.21 Y 0.19 L 0.16 S 0.11 I 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 176.512(D) CA :: 56.913(D) 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 :: 8.321(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) N Shift Assignments>> N :: 123.258(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.32 T 0.28 V 0.26 Y 0.05 S 0.05 E 0.01 C Shift Assignments>> C :: 176.540(D) CA :: 61.692(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.066(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) N Shift Assignments>> N :: 121.492(D) Ave N Shift Values>> N :: 121.46(4.28) 1.M17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 M 0.31 E 0.16 Y 0.12 S 0.05 I 0.01 C Shift Assignments>> C :: 176.318(D) CA :: 55.823(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.338(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.097(D) Ave N Shift Values>> N :: 120.09(3.57) 1.S18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.27 Y 0.25 E 0.16 M 0.08 I 0.07 L 0.04 V 0.04 T 0.04 C Shift Assignments>> C :: 174.655(D) CA :: 58.550(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.190(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.034(D) Ave N Shift Values>> N :: 116.28(3.52) 1.M19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.31 L 0.3 E 0.16 Y 0.12 S 0.05 I 0.01 C Shift Assignments>> C :: 176.606(D) CA :: 55.899(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.352(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.317(D) Ave N Shift Values>> N :: 120.09(3.57) 1.G20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.09 C Shift Assignments>> C :: 173.667(D) CA :: 45.477(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.286(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.740(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 E 0.21 S 0.21 M 0.11 L 0.07 I 0.05 V 0.03 T 0.02 C Shift Assignments>> C :: 175.287(D) CA :: 58.017(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 :: 7.986(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) N Shift Assignments>> N :: 120.279(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 S 0.26 E 0.17 M 0.08 I 0.07 L 0.05 V 0.04 T 0.04 C Shift Assignments>> CA :: 58.453(D) 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 :: 8.051(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) N Shift Assignments>> N :: 127.058(D) Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 22 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 21 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 22 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 42 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 21 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 21 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S1 C = 174.746(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.4160e-01 1.T2 C = 174.404(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.3841e-01 1.T2 CA = 62.199(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.9353e-01 1.T2 H = 8.286(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.4086e-01 1.T2 N = 116.836(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.6562e-01 1.L3 C = 177.162(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.3078e-01 1.L3 CA = 55.539(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.6967e-01 1.L3 H = 8.266(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5583e-01 1.L3 N = 125.183(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9419e-01 1.V4 C = 176.347(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.0199e-01 1.V4 CA = 62.520(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.9163e-01 1.V4 H = 8.129(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.1010e-01 1.V4 N = 121.937(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.6065e-01 1.T5 C = 175.088(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.5552e-01 1.T5 CA = 61.916(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0656e-01 1.T5 H = 8.179(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.2163e-01 1.T5 N = 117.657(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.3768e-01 1.G6 C = 174.247(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.4106e-01 1.G6 CA = 45.596(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5434e-01 1.G6 H = 8.422(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8744e-01 1.G6 N = 111.629(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.1272e-01 1.S7 C = 174.903(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.6931e-01 1.S7 CA = 58.635(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.6725e-01 1.S7 H = 8.242(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.4865e-01 1.S7 N = 116.067(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5175e-01 1.E8 C = 176.348(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.8894e-01 1.E8 CA = 57.347(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.8969e-01 1.E8 H = 8.617(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.2665e-01 1.E8 N = 123.105(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.8411e-01 1.Y9 C = 175.982(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.6993e-01 1.Y9 CA = 58.341(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.3301e-01 1.Y9 H = 8.024(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.8512e-01 1.Y9 N = 120.095(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.1940e-01 1.E10 C = 176.616(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.9636e-01 1.E10 CA = 56.946(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.5798e-01 1.E10 H = 8.220(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5210e-01 1.E10 N = 121.796(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.4627e-01 1.T11 C = 174.665(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.4338e-01 1.T11 CA = 62.255(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8922e-01 1.T11 H = 8.075(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.9014e-01 1.T11 N = 114.920(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.1617e-01 1.M12 C = 176.254(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.7176e-01 1.M12 CA = 56.012(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.6495e-01 1.M12 H = 8.343(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.8998e-01 1.M12 N = 122.958(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.2177e-01 1.L13 C = 177.582(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.6495e-01 1.L13 CA = 55.725(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.6068e-01 1.L13 H = 8.220(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8773e-01 1.L13 N = 123.372(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9824e-01 1.T14 C = 174.727(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.1538e-01 1.T14 CA = 62.315(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.7074e-01 1.T14 H = 7.981(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.7614e-01 1.T14 N = 114.375(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.2587e-01 1.E15 C = 176.512(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.5434e-01 1.E15 CA = 56.913(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.4560e-01 1.E15 H = 8.321(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8783e-01 1.E15 N = 123.258(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.5707e-01 1.I16 C = 176.540(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.1931e-01 1.I16 CA = 61.692(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.7559e-01 1.I16 H = 8.066(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.5298e-01 1.I16 N = 121.492(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.9403e-01 1.M17 C = 176.318(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.4736e-01 1.M17 CA = 55.823(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.9760e-01 1.M17 H = 8.338(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.9657e-01 1.M17 N = 124.097(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.6169e-01 1.S18 C = 174.655(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.8377e-01 1.S18 CA = 58.550(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3455e-01 1.S18 H = 8.190(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7876e-01 1.S18 N = 117.034(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.3039e-01 1.M19 C = 176.606(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.3849e-01 1.M19 CA = 55.899(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.2462e-01 1.M19 H = 8.352(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.7814e-01 1.M19 N = 122.317(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.3275e-01 1.G20 C = 173.667(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1401e-01 1.G20 CA = 45.477(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2449e-01 1.G20 H = 8.286(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4603e-01 1.G20 N = 109.740(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8557e-01 1.Y21 C = 175.287(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.5472e-01 1.Y21 CA = 58.017(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.6409e-01 1.Y21 H = 7.986(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.4729e-01 1.Y21 N = 120.279(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.5424e-01 1.E22 CA = 58.453(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.8775e-01 1.E22 H = 8.051(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.3630e-01 1.E22 N = 127.058(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.6412e-02