Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> M 0.26 K 0.2 R 0.17 H 0.16 E 0.08 Q 0.08 V 0.01 C Shift Assignments>> C :: 176.258 CA :: 55.593(D) CG :: 32.140 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>> HA :: 4.348(D) HB2 :: 1.839(D) HB3 :: 1.934(D) HG2 :: 2.411(D) HG3 :: 2.363(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) 1.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.027 CA :: 58.081(D) CB :: 64.048(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.062(D) HA :: 4.452(D) HB2 :: 3.813(D) HB3 :: 3.739(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 :: 119.030(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.983 CA :: 58.893(D) CB :: 63.546 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.611(D) HA :: 4.290(D) HB2 :: 3.781(D) HB3 :: 3.808 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 :: 118.443(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> K 0.99 C Shift Assignments>> C :: 176.881 CA :: 58.529(D) CB :: 31.582(D) CG :: 24.586(D) CD :: 28.777(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.752(D) HA :: 3.762(D) HB2 :: 1.395(D) HB3 :: 1.213(D) HG2 :: 0.861(D) HG3 :: 0.843(D) HD2 :: 0.965(D) HD3 :: 0.952(D) HE2 :: 2.268(S) HE3 :: 2.433(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.157(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.63 I 0.16 K 0.11 Q 0.04 M 0.03 HN Overlap>> 1.K63 1.K63 C Shift Assignments>> C :: 176.453 CA :: 57.714(D) CB :: 29.451(D) CG :: 36.643(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 :: 8.135(D) HA :: 4.122(D) HB2 :: 1.990(D) HB3 :: 1.823(D) HG2 :: 2.141(D) HG3 :: 2.134(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 :: 119.520(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.951 CA :: 61.836(D) CB :: 70.208(D) CG2 :: 21.552 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 :: 7.495(D) HA :: 4.194(D) HB :: 4.226 HG21 :: 1.066(D) HG22 :: 1.066(D) HG23 :: 1.066(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 :: 109.355(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.84 M 0.13 A 0.01 C Shift Assignments>> C :: 173.569 CA :: 59.330(D) CB :: 38.947(D) CD1 :: 16.870(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 :: 7.368(D) HA :: 4.038(D) HB :: 1.652(D) HG12 :: 1.403(D) HG13 :: 0.830(D) HD11 :: 0.629(D) HD12 :: 0.629(D) HD13 :: 0.629(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 :: 125.253(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.077 CA :: 62.297(D) CB :: 32.477(D) CG :: 27.708(D) CD :: 51.017(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.318(D) HB2 :: 2.217(D) HB3 :: 1.477(D) HG2 :: 1.680(D) HG3 :: 1.877(D) HD2 :: 3.960(D) HD3 :: 3.548(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.M9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 E 0.2 H 0.19 Q 0.13 K 0.1 M 0.1 V 0.02 I 0.01 C Shift Assignments>> C :: 178.738 CA :: 57.688 CB :: 30.710 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 :: 8.890(D) HA :: 3.952(D) HB2 :: 1.917(D) HB3 :: 1.917 HG2 :: 2.521(D) HG3 :: 2.440(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 :: 124.278(D) Ave N Shift Values>> N :: 120.09(3.57) 1.H10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> E 0.19 K 0.18 Q 0.15 H 0.14 I 0.13 R 0.13 M 0.02 V 0.02 C Shift Assignments>> C :: 177.491 CA :: 59.140(D) CB :: 29.217 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.247(D) HB2 :: 2.894(D) HB3 :: 3.077(D) HD1 :: 6.894 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.Q11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.39 Q 0.38 R 0.08 E 0.07 M 0.04 I 0.02 C Shift Assignments>> C :: 178.125 CA :: 58.341(D) CB :: 28.754(D) CG :: 33.614(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 6.847(D) HA :: 3.959(D) HB2 :: 1.853(D) HB3 :: 1.922(D) HG2 :: 2.230(D) HG3 :: 2.149(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) N Shift Assignments>> N :: 120.680(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> R 0.55 K 0.37 G 0.04 L 0.02 C Shift Assignments>> C :: 179.094 CA :: 60.089(D) CB :: 29.529(D) CG :: 26.351(D) CD :: 42.546(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 :: 7.109(D) HA :: 3.952(D) HB2 :: 1.800(D) HB3 :: 1.717(D) HG2 :: 1.210(D) HG3 :: 1.484(D) HD2 :: 2.487(D) HD3 :: 2.127(S) 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) N Shift Assignments>> N :: 119.535(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.703 CA :: 61.391(D) CB :: 62.516(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.452(D) HA :: 3.960(D) HB2 :: 3.725(D) HB3 :: 3.731(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 :: 113.290(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.17 Q 0.16 I 0.16 R 0.15 E 0.14 H 0.12 L 0.04 M 0.01 C Shift Assignments>> C :: 177.949 CA :: 58.660(D) CB :: 28.195(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.839(D) HA :: 3.966(D) HB2 :: 1.980(D) HB3 :: 2.087(D) HG2 :: 2.221(D) HG3 :: 2.283(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) N Shift Assignments>> N :: 123.956(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> Y 0.24 N 0.19 F 0.18 E 0.16 D 0.06 M 0.05 I 0.04 L 0.02 K 0.01 C Shift Assignments>> C :: 177.930 CA :: 55.846(D) CB :: 37.679(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.393(D) HB2 :: 2.651(D) HB3 :: 3.153(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.V16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.461 CA :: 67.895(D) CG1 :: 21.576(D) CG2 :: 23.556(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 :: 7.831(D) HA :: 3.208(D) HB :: 2.074(D) HG11 :: 0.734(D) HG12 :: 0.734(D) HG13 :: 0.734(D) HG21 :: 0.991(D) HG22 :: 0.991(D) HG23 :: 0.991(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 :: 119.587(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.57 A 0.37 I 0.04 HN Overlap>> 1.K41 1.K41 C Shift Assignments>> C :: 180.680 CA :: 55.265(D) CB :: 18.074 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.847(D) HA :: 3.889(D) HB1 :: 1.357(D) HB2 :: 1.357(D) HB3 :: 1.357(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.660(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.2 R 0.15 H 0.14 I 0.13 K 0.12 Q 0.12 V 0.06 M 0.03 C Shift Assignments>> C :: 179.580 CA :: 59.702(D) CB :: 29.857 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 :: 8.400(D) HA :: 3.895(D) HB2 :: 2.011(D) HB3 :: 1.900(D) HG2 :: 2.321(D) HG3 :: 2.129(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 :: 120.287(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.73 R 0.24 K 0.01 G 0.01 HN Overlap>> 1.H43 1.H43 1.E60 1.E60 C Shift Assignments>> C :: 177.847 CA :: 57.917(D) CB :: 41.847(D) CG :: 27.423 CD1 :: 24.132(D) CD2 :: 26.457(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 :: 7.930(D) HA :: 3.826(D) HB2 :: 1.647(D) HB3 :: 1.492(D) HG :: 1.436(D) HD11 :: 0.633(D) HD12 :: 0.633(D) HD13 :: 0.633(D) HD21 :: 0.627(D) HD22 :: 0.627(D) HD23 :: 0.627(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 :: 120.490(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.87 R 0.11 G 0.01 C Shift Assignments>> C :: 178.074 CA :: 58.319(D) CB :: 41.855(D) CG :: 26.892 CD1 :: 24.077(D) CD2 :: 25.955(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 :: 8.848(D) HA :: 3.763(D) HB2 :: 1.295(D) HB3 :: 1.880(D) HG :: 1.478(D) HD11 :: 0.708(D) HD12 :: 0.708(D) HD13 :: 0.708(D) HD21 :: 0.738(D) HD22 :: 0.738(D) HD23 :: 0.738(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 :: 119.420(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.412 CA :: 66.968(D) CB :: 69.155 CG2 :: 21.772 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 :: 8.035(D) HA :: 3.686(D) HB :: 4.142(D) HG21 :: 1.116(D) HG22 :: 1.116(D) HG23 :: 1.116(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 :: 114.368(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.035 CA :: 65.994(D) CB :: 31.823(D) CG1 :: 22.622(D) CG2 :: 22.713(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 :: 7.168(D) HA :: 3.745(D) HB :: 2.009(D) HG11 :: 0.805(D) HG12 :: 0.805(D) HG13 :: 0.805(D) HG21 :: 0.930(D) HG22 :: 0.930(D) HG23 :: 0.930(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 :: 120.224(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.89 K 0.09 C Shift Assignments>> C :: 180.163 CA :: 58.147(D) CB :: 41.471(D) CD1 :: 26.443(D) CD2 :: 22.830(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 :: 8.252(D) HA :: 3.788(D) HB2 :: 1.844(D) HB3 :: 1.483(D) HG :: 1.683(D) HD11 :: 0.683(D) HD12 :: 0.683(D) HD13 :: 0.683(D) HD21 :: 0.689(D) HD22 :: 0.689(D) HD23 :: 0.689(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 :: 120.421(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 Q 0.33 K 0.08 E 0.02 C Shift Assignments>> C :: 179.055 CA :: 57.753 CB :: 31.565(D) CG :: 32.833 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 :: 8.736(D) HA :: 4.064(D) HB2 :: 1.918(D) HB3 :: 2.134(D) HG2 :: 2.617(D) HG3 :: 2.464(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 :: 118.475(D) Ave N Shift Values>> N :: 120.09(3.57) 1.D25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.19 K 0.19 L 0.17 D 0.12 I 0.03 R 0.02 N 0.01 C Shift Assignments>> C :: 179.365 CA :: 57.375(D) CB :: 41.142(D) 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 :: 7.807(D) HA :: 4.354(D) HB2 :: 2.829(D) HB3 :: 2.445(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) N Shift Assignments>> N :: 122.460(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 177.261 CA :: 65.675(D) CB :: 38.280 CG1 :: 30.657 CG2 :: 17.422(D) CD1 :: 14.042(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 :: 8.097(D) HA :: 3.414(D) HB :: 1.806(D) HG12 :: 1.662(D) HG13 :: 1.648(D) HG21 :: 0.712(D) HG22 :: 0.712(D) HG23 :: 0.712(D) HD11 :: 0.706(D) HD12 :: 0.706(D) HD13 :: 0.706(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 :: 120.036(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.28 D 0.16 L 0.11 N 0.08 I 0.05 C Shift Assignments>> C :: 176.557 CA :: 56.573 CB :: 39.598 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.080(D) HA :: 4.260(D) HB2 :: 2.757(D) HB3 :: 2.574(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) N Shift Assignments>> N :: 117.673(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.81 R 0.17 G 0.01 C Shift Assignments>> C :: 179.723 CA :: 58.771 CB :: 32.196 CG :: 24.992 CD :: 29.577 CE :: 42.095 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.761(D) HA :: 3.915(D) HB2 :: 1.895 HB3 :: 1.819(D) HG2 :: 1.352(D) HG3 :: 1.267(D) HD2 :: 1.540(D) HD3 :: 1.576 HE2 :: 2.810(D) HE3 :: 2.836 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.851(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 177.312 CA :: 63.789(D) CB :: 38.273 CG2 :: 17.526(D) CD1 :: 14.529(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 :: 7.944(D) HA :: 3.677(D) HB :: 1.729(D) HG12 :: 1.548(D) HG13 :: 0.976(D) HG21 :: 0.712(D) HG22 :: 0.712(D) HG23 :: 0.712(D) HD11 :: 0.635(D) HD12 :: 0.635(D) HD13 :: 0.635(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 :: 121.801(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.18 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 176.038 CA :: 53.284 CB :: 38.735 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.982(D) HA :: 4.505(D) HB2 :: 2.771(D) HB3 :: 2.673(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) N Shift Assignments>> N :: 117.763(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 175.362 CA :: 45.921 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.837(D) HA2 :: 3.941(D) HA3 :: 3.680(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.216(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 L 0.19 R 0.06 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.560 CA :: 44.774 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.280(D) HA2 :: 3.836(D) HA3 :: 3.702(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.078(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.28 K 0.12 N 0.07 R 0.07 F 0.05 Y 0.03 C Shift Assignments>> C :: 177.198 CA :: 53.202(D) CB :: 42.007 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 :: 8.138(D) HA :: 4.579(D) HB2 :: 2.857(D) HB3 :: 2.655(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) N Shift Assignments>> N :: 120.233(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.327 CA :: 60.721(D) CB :: 63.075(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.432(D) HA :: 4.118(D) HB2 :: 3.839(D) HB3 :: 3.784(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 :: 116.098(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.557 CA :: 64.876(D) CB :: 68.910(D) CG2 :: 21.648 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 :: 8.210(D) HA :: 4.058(D) HB :: 4.141(D) HG21 :: 1.082(D) HG22 :: 1.082(D) HG23 :: 1.082(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 :: 119.076(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.250 CA :: 64.470(D) CB :: 68.775 CG2 :: 22.597 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 :: 7.982(D) HA :: 3.954(D) HB :: 4.233(D) HG21 :: 1.101(D) HG22 :: 1.101(D) HG23 :: 1.101(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 :: 116.971(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.36 I 0.05 V 0.01 C Shift Assignments>> C :: 179.792 CA :: 55.675(D) CB :: 18.493(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.095(D) HA :: 3.800(D) HB1 :: 1.323(D) HB2 :: 1.323(D) HB3 :: 1.323(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.516(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.47 I 0.23 K 0.16 Q 0.1 M 0.01 C Shift Assignments>> C :: 179.145 CA :: 59.380(D) CB :: 29.061 CG :: 35.834 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 :: 7.922(D) HA :: 3.849(D) HB2 :: 1.983(D) HB3 :: 1.935(D) HG2 :: 2.201(D) HG3 :: 2.204(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 :: 117.359(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.99 C Shift Assignments>> C :: 179.729 CA :: 59.150(D) CB :: 32.280 CG :: 25.559(D) CD :: 29.645 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.452(D) HA :: 3.884(D) HB2 :: 1.836(D) HB3 :: 1.722(D) HG2 :: 1.439(D) HG3 :: 1.271(D) HE2 :: 2.798 HE3 :: 2.798 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.113(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 M 0.2 Q 0.18 R 0.11 H 0.09 V 0.08 E 0.06 C Shift Assignments>> C :: 177.767 CA :: 57.991 CB :: 32.999 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 :: 7.990(D) HA :: 4.123(D) HB2 :: 2.512 HB3 :: 2.482 HG2 :: 2.164 HG3 :: 1.676 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 :: 118.998(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.71 R 0.26 G 0.02 HN Overlap>> 1.A17 1.A17 C Shift Assignments>> C :: 178.511 CA :: 60.498(D) CB :: 32.247 CG :: 25.734 CD :: 29.584 CE :: 42.166 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.812(D) HA :: 3.750(D) HB2 :: 1.829(D) HB3 :: 1.817(D) HG2 :: 1.246(D) HG3 :: 1.384(D) HD2 :: 1.543 HD3 :: 1.543 HE2 :: 2.760 HE3 :: 2.693 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.583(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 66.345(D) CB :: 31.994 CG1 :: 21.152 CG2 :: 22.668 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 :: 7.442(D) HA :: 3.483(D) HB :: 2.016(D) HG11 :: 0.820(D) HG12 :: 0.820(D) HG13 :: 0.820(D) HG21 :: 0.941(D) HG22 :: 0.941(D) HG23 :: 0.941(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 :: 118.966(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.21 R 0.18 H 0.18 Q 0.15 K 0.12 M 0.06 I 0.04 V 0.02 HN Overlap>> 1.L19 1.E60 1.L19 1.E60 C Shift Assignments>> C :: 177.500 CA :: 58.351(D) CB :: 30.059(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.940(D) HA :: 4.279(D) HB2 :: 3.059(D) HB3 :: 3.062(D) HD1 :: 6.622(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) N Shift Assignments>> N :: 120.494(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.51 A 0.39 I 0.05 V 0.01 C Shift Assignments>> C :: 178.652 CA :: 55.777(D) CB :: 18.822(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.477(D) HA :: 3.764(D) HB1 :: 1.345(D) HB2 :: 1.345(D) HB3 :: 1.345(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.706(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.71 R 0.27 G 0.01 C Shift Assignments>> C :: 180.092 CA :: 59.726(D) CB :: 32.808 CG :: 25.844 CD :: 29.681 CE :: 41.983 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.879(D) HA :: 3.934(D) HB2 :: 1.786(D) HB3 :: 1.787(D) HG2 :: 1.305(D) HG3 :: 1.320 HD2 :: 1.524(D) HD3 :: 1.526(D) HE2 :: 2.786(D) HE3 :: 2.693(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.901(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.983 CA :: 61.719(D) CB :: 62.735 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.493(D) HA :: 4.119(D) HB2 :: 3.887(D) HB3 :: 3.839(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 :: 116.604(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.49 Y 0.25 F 0.23 C Shift Assignments>> C :: 177.664 CA :: 61.127(D) CB :: 39.171 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 :: 8.568(D) HA :: 3.990(D) HB2 :: 2.915(D) HB3 :: 2.862(D) HD1 :: 6.925(D) HD2 :: 6.925(D) HE1 :: 7.169(D) HE2 :: 7.169(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) N Shift Assignments>> N :: 124.046(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.6 E 0.33 K 0.03 Q 0.01 HN Overlap>> 1.R81 1.R81 C Shift Assignments>> C :: 177.536 CA :: 61.182(D) CB :: 29.554 CG :: 36.638(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 :: 7.784(D) HA :: 3.609(D) HB2 :: 2.124(D) HB3 :: 1.602(D) HG2 :: 2.287(D) HG3 :: 2.547(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 :: 119.904(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 A 0.41 I 0.03 C Shift Assignments>> C :: 180.405 CA :: 55.085(D) CB :: 18.114(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.917(D) HA :: 3.676(D) HB1 :: 1.362(D) HB2 :: 1.362(D) HB3 :: 1.362(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.216(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.51 A 0.45 I 0.02 HN Overlap>> 1.V84 1.V84 C Shift Assignments>> C :: 180.323 CA :: 54.672 CB :: 17.934(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.831(D) HA :: 4.006(D) HB1 :: 1.243(D) HB2 :: 1.243(D) HB3 :: 1.243(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.830(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.92 R 0.06 C Shift Assignments>> C :: 180.503 CA :: 57.747 CB :: 41.569(D) CG :: 27.244(D) CD1 :: 24.417(D) CD2 :: 25.462(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 :: 7.594(D) HA :: 3.868(D) HB2 :: 1.529(D) HB3 :: 1.225(D) HG :: 1.452(D) HD11 :: 0.625(D) HD12 :: 0.625(D) HD13 :: 0.625(D) HD21 :: 0.603(D) HD22 :: 0.603(D) HD23 :: 0.603(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 :: 119.849(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.72 F 0.13 Y 0.13 C Shift Assignments>> C :: 177.570 CA :: 63.035(D) CB :: 39.385(D) 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 :: 9.022(D) HA :: 3.766(D) HB2 :: 3.114(D) HB3 :: 2.973(D) HD1 :: 6.449(D) HD2 :: 6.449(D) HE1 :: 6.939(D) HE2 :: 6.939(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) N Shift Assignments>> N :: 122.976(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.57 I 0.18 K 0.11 Q 0.07 M 0.04 C Shift Assignments>> C :: 177.741 CA :: 59.240 CB :: 29.796 CG :: 36.058 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 :: 8.083(D) HA :: 3.641(D) HB2 :: 2.025(D) HB3 :: 1.941(D) HG2 :: 2.222(D) HG3 :: 2.255 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 :: 117.896(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.85 R 0.13 C Shift Assignments>> C :: 177.682 CA :: 57.000 CB :: 33.164 CG :: 24.695 CD :: 29.183 CE :: 41.884 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.575(D) HA :: 4.008(D) HB2 :: 1.738(D) HB3 :: 1.650(D) HG2 :: 1.433(D) HG3 :: 1.321(D) HD2 :: 1.543 HD3 :: 1.612 HE2 :: 2.733(D) HE3 :: 2.753(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.936(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.998 CA :: 60.591 CB :: 65.076 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.345(D) HA :: 4.193(D) HB2 :: 3.686(D) HB3 :: 3.727 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 :: 116.124(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.933 CA :: 58.876 CB :: 64.329 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.058(D) HA :: 4.339(D) HB2 :: 3.806(D) HB3 :: 3.846 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 :: 116.796(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 173.858 CA :: 56.671 CB :: 66.437 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.313(D) HA :: 4.544(D) HB2 :: 4.216(D) HB3 :: 3.891(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 :: 111.976(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.89 R 0.09 G 0.01 C Shift Assignments>> C :: 177.287 CA :: 59.533(D) CB :: 32.499(D) CG :: 24.480(D) CD :: 30.077 CE :: 42.001 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.749(D) HA :: 3.803(D) HB2 :: 1.538(D) HB3 :: 1.564 HG2 :: 1.194(D) HG3 :: 1.187(D) HE2 :: 2.784(D) HE3 :: 2.786(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.543(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.49 I 0.42 K 0.05 C Shift Assignments>> C :: 178.873 CA :: 58.349 CB :: 28.730 CG :: 37.346 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 :: 9.092(D) HA :: 3.905(D) HB2 :: 2.027(D) HB3 :: 1.774(D) HG2 :: 2.350(D) HG3 :: 2.105(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 :: 119.776(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.21 R 0.18 H 0.16 Q 0.12 K 0.08 V 0.07 I 0.06 M 0.06 HN Overlap>> 1.H43 1.L19 1.H43 1.L19 C Shift Assignments>> C :: 179.052 CA :: 59.293 CB :: 30.385 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 :: 7.976(D) HA :: 3.892(D) HB2 :: 1.923(D) HB3 :: 1.946 HG2 :: 2.093(D) HG3 :: 2.173(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 :: 120.508(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.6 Y 0.19 F 0.14 E 0.02 V 0.01 HN Overlap>> 1.S86 1.S86 C Shift Assignments>> C :: 176.010 CA :: 61.627(D) CB :: 37.839 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 :: 7.759(D) HA :: 3.943(D) HB2 :: 3.021(D) HB3 :: 2.962(D) HD1 :: 6.770(D) HD2 :: 6.770(D) HE1 :: 6.656(D) HE2 :: 6.656(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 :: 121.347(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.35 K 0.33 E 0.15 R 0.06 I 0.06 M 0.01 C Shift Assignments>> C :: 179.232 CA :: 58.902(D) CB :: 28.408(D) CG :: 34.307 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.432(D) HA :: 3.507(D) HB2 :: 2.107(D) HB3 :: 1.899(D) HG2 :: 2.533(D) HG3 :: 2.365(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) N Shift Assignments>> N :: 117.625(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.81 R 0.16 G 0.01 HN Overlap>> 1.E5 1.E5 C Shift Assignments>> C :: 179.645 CA :: 59.493 CB :: 32.686 CG :: 25.130 CD :: 29.523 CE :: 42.120 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.198(D) HA :: 3.893(D) HB2 :: 1.791(D) HB3 :: 1.732(D) HG2 :: 1.416(D) HG3 :: 1.278(D) HD2 :: 1.509(D) HD3 :: 1.512 HE2 :: 2.790(D) HE3 :: 2.792 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.556(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.780 CA :: 66.409 CB :: 68.024(D) CG2 :: 22.848(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 :: 8.157(D) HA :: 3.832(D) HB :: 4.017(D) HG21 :: 1.152(D) HG22 :: 1.152(D) HG23 :: 1.152(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 :: 116.886(D) Ave N Shift Values>> N :: 115.42(4.75) 1.M65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 H 0.18 E 0.17 K 0.15 M 0.13 Q 0.1 V 0.03 C Shift Assignments>> C :: 177.475 CA :: 57.585 CB :: 31.283(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 :: 8.356(D) HA :: 4.096(D) HB2 :: 1.651(D) HB3 :: 1.352(D) HG2 :: 2.348(D) HG3 :: 2.006(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 :: 123.332(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.75 R 0.22 G 0.01 C Shift Assignments>> C :: 178.323 CA :: 59.567(D) CB :: 32.188 CG :: 24.941 CD :: 28.995 CE :: 42.303 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.703(D) HA :: 3.769(D) HB2 :: 1.723(D) HB3 :: 1.809(D) HG2 :: 1.285(D) HG3 :: 1.317 HD2 :: 1.475(D) HD3 :: 1.567(D) HE2 :: 2.835(D) HE3 :: 2.731 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.739(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.357 CA :: 61.635 CB :: 62.901 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.863(D) HA :: 4.137(D) HB2 :: 3.867(D) HB3 :: 3.861 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 :: 113.100(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.55 R 0.43 C Shift Assignments>> C :: 178.446 CA :: 57.882 CB :: 31.521 CG :: 24.653 CD :: 27.890 CE :: 42.076 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.926(D) HA :: 4.058(D) HB2 :: 1.928(D) HB3 :: 1.826(D) HG2 :: 0.886 HG3 :: 0.806 HD2 :: 1.252(D) HD3 :: 1.507(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.926(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 178.137 CA :: 66.412(D) CB :: 38.018(D) CG2 :: 17.893(D) CD1 :: 13.659 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 :: 8.049(D) HA :: 3.291(D) HB :: 1.708(D) HG12 :: 1.679 HG13 :: 1.664(D) HG21 :: 0.734(D) HG22 :: 0.734(D) HG23 :: 0.734(D) HD11 :: 0.694(D) HD12 :: 0.694(D) HD13 :: 0.694(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 :: 120.657(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.33 I 0.09 D 0.09 L 0.09 N 0.02 K 0.01 C Shift Assignments>> C :: 179.455 CA :: 57.697 CB :: 39.852 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 :: 8.662(D) HA :: 4.180(D) HB2 :: 2.616(D) HB3 :: 2.456(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) N Shift Assignments>> N :: 120.064(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 A 0.41 I 0.03 C Shift Assignments>> C :: 181.073 CA :: 55.082 CB :: 18.124 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.048(D) HA :: 4.023(D) HB1 :: 1.396(D) HB2 :: 1.396(D) HB3 :: 1.396(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.533(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 R 0.18 M 0.18 H 0.16 E 0.13 Q 0.07 V 0.04 C Shift Assignments>> C :: 178.610 CA :: 57.408(D) CB :: 31.942(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 :: 8.002(D) HA :: 4.152(D) HB2 :: 2.069(D) HB3 :: 1.743(D) HG2 :: 2.507(D) HG3 :: 2.344(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 :: 118.690(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.61 G 0.22 K 0.08 I 0.06 C Shift Assignments>> C :: 177.935 CA :: 60.393(D) CB :: 30.097 CD :: 43.484 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 :: 8.651(D) HA :: 3.621(D) HB2 :: 1.771(D) HB3 :: 1.838(D) HG2 :: 1.396(D) HG3 :: 1.397 HD2 :: 3.059(D) HD3 :: 3.073(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) N Shift Assignments>> N :: 121.385(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.197 CA :: 61.495 CB :: 62.812 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.913(D) HA :: 4.130(D) HB2 :: 3.872(D) HB3 :: 3.893 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 :: 114.495(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.577 CA :: 66.294(D) CB :: 68.989 CG2 :: 21.525 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 :: 7.890(D) HA :: 3.809(D) HB :: 4.195(D) HG21 :: 1.055(D) HG22 :: 1.055(D) HG23 :: 1.055(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 :: 119.177(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.48 K 0.3 G 0.13 L 0.07 C Shift Assignments>> C :: 177.350 CA :: 59.501(D) CB :: 29.089(D) CG :: 25.802 CD :: 43.306 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 :: 8.190(D) HA :: 3.593(D) HB2 :: 2.101(D) HB3 :: 2.107(D) HG2 :: 1.583(D) HG3 :: 1.281(D) HD2 :: 3.106(D) HD3 :: 3.096(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) N Shift Assignments>> N :: 122.864(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.27 D 0.16 L 0.13 N 0.05 I 0.05 K 0.02 C Shift Assignments>> C :: 178.138 CA :: 56.769 CB :: 40.013 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 :: 8.342(D) HA :: 4.191(D) HB2 :: 2.597(D) HB3 :: 2.550(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) N Shift Assignments>> N :: 119.328(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.73 R 0.24 G 0.01 C Shift Assignments>> C :: 178.109 CA :: 58.925 CB :: 32.674 CG :: 25.417 CD :: 29.556 CE :: 42.164 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.925(D) HA :: 3.903(D) HB2 :: 1.809(D) HB3 :: 1.734(D) HG2 :: 1.249(D) HG3 :: 1.413(D) HD2 :: 1.514(D) HD3 :: 1.516 HE2 :: 2.786(D) HE3 :: 2.817 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.688(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.59 K 0.32 L 0.06 G 0.01 C Shift Assignments>> C :: 178.492 CA :: 57.019(D) CB :: 29.410(D) CG :: 26.919 CD :: 42.340 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 :: 8.048(D) HA :: 4.014(D) HB2 :: 1.743(D) HG2 :: 1.620(D) HG3 :: 1.546(D) HD2 :: 3.083(D) HD3 :: 3.015(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) N Shift Assignments>> N :: 118.832(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.43 Q 0.31 M 0.16 R 0.06 E 0.01 C Shift Assignments>> C :: 178.015 CA :: 58.209 CB :: 32.640 CD :: 29.588 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.242(D) HA :: 3.905(D) HB2 :: 1.780(D) HB3 :: 1.689(D) HG2 :: 1.351(D) HG3 :: 1.304(D) HD2 :: 1.518 HE2 :: 2.795(D) HE3 :: 2.787 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.630(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.77 G 0.13 K 0.08 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 177.657 CA :: 57.602 CB :: 30.504 CG :: 27.471 CD :: 43.518 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 :: 7.817(D) HA :: 4.055(D) HB2 :: 1.730(D) HB3 :: 1.761 HG2 :: 1.582(D) HG3 :: 1.500(D) HD2 :: 3.049(D) HD3 :: 3.059 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) N Shift Assignments>> N :: 119.967(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.62 M 0.12 K 0.09 Q 0.08 I 0.06 C Shift Assignments>> C :: 177.132 CA :: 57.056 CB :: 30.166 CG :: 36.329 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 :: 7.977(D) HA :: 4.066(D) HB2 :: 1.884(D) HB3 :: 1.894 HG2 :: 2.249(D) HG3 :: 2.110(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 :: 119.475(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.683 CA :: 58.790 CB :: 63.894 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.877(D) HA :: 4.301(D) HB2 :: 3.769(D) HB3 :: 3.779 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 :: 115.505(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.A50 1.A50 C Shift Assignments>> C :: 176.751 CA :: 62.580(D) CB :: 32.666(D) CG1 :: 21.130(D) CG2 :: 20.519(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 :: 7.815(D) HA :: 4.017(D) HB :: 2.000(D) HG11 :: 0.794(D) HG12 :: 0.794(D) HG13 :: 0.794(D) HG21 :: 0.794(D) HG22 :: 0.794(D) HG23 :: 0.794(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 :: 120.881(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 173.386 CA :: 45.207 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.249(D) HA2 :: 3.788(D) HA3 :: 3.823(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.515(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 HN Overlap>> 1.Y61 1.Y61 C Shift Assignments>> C :: 178.716 CA :: 59.743 CB :: 65.100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.758(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 :: 121.350(D) Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 84 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 86 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 86 #Suspicious: 0 C Shift Results: #Consistent: 217 #Duplicate: 121 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 43 #Duplicate: 516 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 82 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 CA = 55.593(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.1666e-01 1.M1 HA = 4.348(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.9723e-01 1.M1 HB2 = 1.839(D), Expected = 2.03, Std = 0.3400, ChiSquare = 5.7428e-01 1.M1 HB3 = 1.934(D), Expected = 1.99, Std = 0.3400, ChiSquare = 8.6918e-01 1.M1 HG2 = 2.411(D), Expected = 2.42, Std = 0.3500, ChiSquare = 9.7949e-01 1.M1 HG3 = 2.363(D), Expected = 2.39, Std = 0.3800, ChiSquare = 9.4336e-01 1.S2 CA = 58.081(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.5755e-01 1.S2 CB = 64.048(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.6692e-01 1.S2 H = 9.062(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.8503e-01 1.S2 HA = 4.452(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.4419e-01 1.S2 HB2 = 3.813(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.8870e-01 1.S2 HB3 = 3.739(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.8099e-01 1.S2 N = 119.030(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.3466e-01 1.S3 CA = 58.893(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3339e-01 1.S3 H = 8.611(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.7479e-01 1.S3 HA = 4.290(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.3479e-01 1.S3 HB2 = 3.781(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.9210e-01 1.S3 N = 118.443(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.3889e-01 1.K4 CA = 58.529(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.7293e-01 1.K4 CB = 31.582(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.9736e-01 1.K4 CG = 24.586(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.8791e-01 1.K4 CD = 28.777(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.6545e-01 1.K4 H = 8.752(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.4893e-01 1.K4 HA = 3.762(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.4828e-01 1.K4 HB2 = 1.395(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.2356e-01 1.K4 HB3 = 1.213(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.0956e-02 1.K4 HG2 = 0.861(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.0266e-02 1.K4 HG3 = 0.843(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.0185e-02 1.K4 HD2 = 0.965(D), Expected = 1.61, Std = 0.2200, ChiSquare = 3.3698e-03 1.K4 HD3 = 0.952(D), Expected = 1.60, Std = 0.2200, ChiSquare = 3.2248e-03 1.K4 HE2 = 2.268(S), Expected = 2.92, Std = 0.1900, ChiSquare = 6.0008e-04 1.K4 HE3 = 2.433(D), Expected = 2.91, Std = 0.2000, ChiSquare = 1.7079e-02 1.K4 N = 125.157(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.7598e-01 1.E5 CA = 57.714(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.5047e-01 1.E5 CB = 29.451(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.4518e-01 1.E5 CG = 36.643(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.5423e-01 1.E5 H = 8.135(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.4102e-01 1.E5 HA = 4.122(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.5489e-01 1.E5 HB2 = 1.990(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.8640e-01 1.E5 HB3 = 1.823(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.6779e-01 1.E5 HG2 = 2.141(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.3903e-01 1.E5 HG3 = 2.134(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.9800e-01 1.E5 N = 119.520(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.4105e-01 1.T6 CA = 61.836(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8214e-01 1.T6 CB = 70.208(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.6933e-01 1.T6 H = 7.495(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.2951e-01 1.T6 HA = 4.194(D), Expected = 4.46, Std = 0.4800, ChiSquare = 5.7946e-01 1.T6 HG21 = 1.066(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4765e-01 1.T6 HG22 = 1.066(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4765e-01 1.T6 HG23 = 1.066(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4765e-01 1.T6 N = 109.355(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.0166e-01 1.I7 CA = 59.330(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.9491e-01 1.I7 CB = 38.947(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.7530e-01 1.I7 CD1 = 16.870(D), Expected = 13.43, Std = 1.6700, ChiSquare = 3.9410e-02 1.I7 H = 7.368(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.7986e-01 1.I7 HA = 4.038(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.9983e-01 1.I7 HB = 1.652(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.5894e-01 1.I7 HG12 = 1.403(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.5846e-01 1.I7 HG13 = 0.830(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.7992e-01 1.I7 HD11 = 0.629(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.6040e-01 1.I7 HD12 = 0.629(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.6040e-01 1.I7 HD13 = 0.629(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.6040e-01 1.I7 N = 125.253(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.7550e-01 1.P8 CA = 62.297(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.9675e-01 1.P8 CB = 32.477(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.9517e-01 1.P8 CG = 27.708(D), Expected = 27.17, Std = 1.0900, ChiSquare = 6.2160e-01 1.P8 CD = 51.017(D), Expected = 50.32, Std = 0.9900, ChiSquare = 4.8141e-01 1.P8 HA = 4.318(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.0376e-01 1.P8 HB2 = 2.217(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.9548e-01 1.P8 HB3 = 1.477(D), Expected = 2.00, Std = 0.3600, ChiSquare = 1.4629e-01 1.P8 HG2 = 1.680(D), Expected = 1.93, Std = 0.3100, ChiSquare = 4.1998e-01 1.P8 HG3 = 1.877(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.4444e-01 1.P8 HD2 = 3.960(D), Expected = 3.65, Std = 0.3500, ChiSquare = 3.7577e-01 1.P8 HD3 = 3.548(D), Expected = 3.61, Std = 0.3900, ChiSquare = 8.7369e-01 1.M9 H = 8.890(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.9372e-01 1.M9 HA = 3.952(D), Expected = 4.41, Std = 0.4800, ChiSquare = 3.4000e-01 1.M9 HB2 = 1.917(D), Expected = 2.03, Std = 0.3400, ChiSquare = 7.3962e-01 1.M9 HG2 = 2.521(D), Expected = 2.42, Std = 0.3500, ChiSquare = 7.7291e-01 1.M9 HG3 = 2.440(D), Expected = 2.39, Std = 0.3800, ChiSquare = 8.9532e-01 1.M9 N = 124.278(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.4075e-01 1.H10 CA = 59.140(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.5671e-01 1.H10 HA = 4.247(D), Expected = 4.61, Std = 0.4300, ChiSquare = 3.9857e-01 1.H10 HB2 = 2.894(D), Expected = 3.10, Std = 0.3600, ChiSquare = 5.6717e-01 1.H10 HB3 = 3.077(D), Expected = 3.04, Std = 0.3800, ChiSquare = 9.2243e-01 1.Q11 CA = 58.341(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.0791e-01 1.Q11 CB = 28.754(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.1067e-01 1.Q11 CG = 33.614(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.9536e-01 1.Q11 H = 6.847(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.9959e-02 1.Q11 HA = 3.959(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7968e-01 1.Q11 HB2 = 1.853(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.3070e-01 1.Q11 HB3 = 1.922(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.2634e-01 1.Q11 HG2 = 2.230(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.3888e-01 1.Q11 HG3 = 2.149(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.2682e-01 1.Q11 N = 120.680(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.2630e-01 1.R12 CA = 60.089(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.5078e-01 1.R12 CB = 29.529(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.2224e-01 1.R12 CG = 26.351(D), Expected = 27.21, Std = 1.2000, ChiSquare = 4.7409e-01 1.R12 CD = 42.546(D), Expected = 43.16, Std = 0.8800, ChiSquare = 4.8535e-01 1.R12 H = 7.109(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.3725e-02 1.R12 HA = 3.952(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.4934e-01 1.R12 HB2 = 1.800(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.7046e-01 1.R12 HB3 = 1.717(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.7795e-01 1.R12 HG2 = 1.210(D), Expected = 1.57, Std = 0.2700, ChiSquare = 1.8242e-01 1.R12 HG3 = 1.484(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.4688e-01 1.R12 HD2 = 2.487(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.3520e-03 1.R12 HD3 = 2.127(S), Expected = 3.10, Std = 0.2600, ChiSquare = 1.8234e-04 1.R12 N = 119.535(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.3103e-01 1.S13 CA = 61.391(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.9693e-01 1.S13 CB = 62.516(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.8563e-01 1.S13 H = 8.452(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.7065e-01 1.S13 HA = 3.960(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.9360e-01 1.S13 HB2 = 3.725(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.3526e-01 1.S13 HB3 = 3.731(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.5940e-01 1.S13 N = 113.290(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.9564e-01 1.Q14 CA = 58.660(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.2875e-01 1.Q14 CB = 28.195(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.8458e-01 1.Q14 H = 7.839(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.1843e-01 1.Q14 HA = 3.966(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.8962e-01 1.Q14 HB2 = 1.980(D), Expected = 2.05, Std = 0.2500, ChiSquare = 7.7948e-01 1.Q14 HB3 = 2.087(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.1088e-01 1.Q14 HG2 = 2.221(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.1387e-01 1.Q14 HG3 = 2.283(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.8074e-01 1.Q14 N = 123.956(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.5871e-01 1.N15 CA = 55.846(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.1997e-01 1.N15 CB = 37.679(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.4969e-01 1.N15 HA = 4.393(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.4163e-01 1.N15 HB2 = 2.651(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.0802e-01 1.N15 HB3 = 3.153(D), Expected = 2.75, Std = 0.3300, ChiSquare = 2.2201e-01 1.V16 CA = 67.895(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.8777e-02 1.V16 CG1 = 21.576(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.4958e-01 1.V16 CG2 = 23.556(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.4108e-01 1.V16 H = 7.831(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9330e-01 1.V16 HA = 3.208(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.0436e-02 1.V16 HB = 2.074(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.6895e-01 1.V16 HG11 = 0.734(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.1196e-01 1.V16 HG12 = 0.734(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.1196e-01 1.V16 HG13 = 0.734(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.1196e-01 1.V16 HG21 = 0.991(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9515e-01 1.V16 HG22 = 0.991(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9515e-01 1.V16 HG23 = 0.991(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9515e-01 1.V16 N = 119.587(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.3230e-01 1.A17 CA = 55.265(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8317e-01 1.A17 H = 7.847(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5631e-01 1.A17 HA = 3.889(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.9913e-01 1.A17 HB1 = 1.357(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.7852e-01 1.A17 HB2 = 1.357(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.7852e-01 1.A17 HB3 = 1.357(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.7852e-01 1.A17 N = 120.660(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.6785e-01 1.E18 CA = 59.702(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5441e-01 1.E18 H = 8.400(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0556e-01 1.E18 HA = 3.895(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.8657e-01 1.E18 HB2 = 2.011(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.6582e-01 1.E18 HB3 = 1.900(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.9557e-01 1.E18 HG2 = 2.321(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.0812e-01 1.E18 HG3 = 2.129(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.8232e-01 1.E18 N = 120.287(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1236e-01 1.L19 CA = 57.917(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8085e-01 1.L19 CB = 41.847(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.0547e-01 1.L19 CD1 = 24.132(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.1152e-01 1.L19 CD2 = 26.457(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.5681e-01 1.L19 H = 7.930(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4441e-01 1.L19 HA = 3.826(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.9323e-01 1.L19 HB2 = 1.647(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.1334e-01 1.L19 HB3 = 1.492(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.3801e-01 1.L19 HG = 1.436(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.2257e-01 1.L19 HD11 = 0.633(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7605e-01 1.L19 HD12 = 0.633(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7605e-01 1.L19 HD13 = 0.633(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7605e-01 1.L19 HD21 = 0.627(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2246e-01 1.L19 HD22 = 0.627(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2246e-01 1.L19 HD23 = 0.627(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2246e-01 1.L19 N = 120.490(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2538e-01 1.L20 CA = 58.319(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0511e-01 1.L20 CB = 41.855(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.0876e-01 1.L20 CD1 = 24.077(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.8592e-01 1.L20 CD2 = 25.955(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.6246e-01 1.L20 H = 8.848(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4172e-01 1.L20 HA = 3.763(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.3598e-01 1.L20 HB2 = 1.295(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.5420e-01 1.L20 HB3 = 1.880(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.1731e-01 1.L20 HG = 1.478(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.2275e-01 1.L20 HD11 = 0.708(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.8076e-01 1.L20 HD12 = 0.708(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.8076e-01 1.L20 HD13 = 0.708(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.8076e-01 1.L20 HD21 = 0.738(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.7799e-01 1.L20 HD22 = 0.738(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.7799e-01 1.L20 HD23 = 0.738(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.7799e-01 1.L20 N = 119.420(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3155e-01 1.T21 CA = 66.968(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.6772e-02 1.T21 H = 8.035(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.4091e-01 1.T21 HA = 3.686(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.0685e-01 1.T21 HB = 4.142(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.3238e-01 1.T21 HG21 = 1.116(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.1689e-01 1.T21 HG22 = 1.116(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.1689e-01 1.T21 HG23 = 1.116(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.1689e-01 1.T21 N = 114.368(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.2472e-01 1.V22 CA = 65.994(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.2051e-01 1.V22 CB = 31.823(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.1236e-01 1.V22 CG1 = 22.622(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.0521e-01 1.V22 CG2 = 22.713(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.5164e-01 1.V22 H = 7.168(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.4007e-02 1.V22 HA = 3.745(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.4294e-01 1.V22 HB = 2.009(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.2779e-01 1.V22 HG11 = 0.805(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2340e-01 1.V22 HG12 = 0.805(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2340e-01 1.V22 HG13 = 0.805(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2340e-01 1.V22 HG21 = 0.930(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4244e-01 1.V22 HG22 = 0.930(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4244e-01 1.V22 HG23 = 0.930(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4244e-01 1.V22 N = 120.224(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4010e-01 1.L23 CA = 58.147(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3547e-01 1.L23 CB = 41.471(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.5540e-01 1.L23 CD1 = 26.443(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.7852e-01 1.L23 CD2 = 22.830(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.7298e-01 1.L23 H = 8.252(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7300e-01 1.L23 HA = 3.788(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.5767e-01 1.L23 HB2 = 1.844(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.9130e-01 1.L23 HB3 = 1.483(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.1814e-01 1.L23 HG = 1.683(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.0011e-01 1.L23 HD11 = 0.683(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.1088e-01 1.L23 HD12 = 0.683(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.1088e-01 1.L23 HD13 = 0.683(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.1088e-01 1.L23 HD21 = 0.689(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.8757e-01 1.L23 HD22 = 0.689(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.8757e-01 1.L23 HD23 = 0.689(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.8757e-01 1.L23 N = 120.421(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.1215e-01 1.M24 CB = 31.565(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.2467e-01 1.M24 H = 8.736(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.2758e-01 1.M24 HA = 4.064(D), Expected = 4.41, Std = 0.4800, ChiSquare = 4.7101e-01 1.M24 HB2 = 1.918(D), Expected = 2.03, Std = 0.3400, ChiSquare = 7.4184e-01 1.M24 HB3 = 2.134(D), Expected = 1.99, Std = 0.3400, ChiSquare = 6.7191e-01 1.M24 HG2 = 2.617(D), Expected = 2.42, Std = 0.3500, ChiSquare = 5.7353e-01 1.M24 HG3 = 2.464(D), Expected = 2.39, Std = 0.3800, ChiSquare = 8.4560e-01 1.M24 N = 118.475(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.5099e-01 1.D25 CA = 57.375(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.8595e-01 1.D25 CB = 41.142(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.7152e-01 1.D25 H = 7.807(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.8581e-01 1.D25 HA = 4.354(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.6082e-01 1.D25 HB2 = 2.829(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.7505e-01 1.D25 HB3 = 2.445(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.4257e-01 1.D25 N = 122.460(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.3913e-01 1.I26 CA = 65.675(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.2932e-01 1.I26 CG2 = 17.422(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.3671e-01 1.I26 CD1 = 14.042(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.1402e-01 1.I26 H = 8.097(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.8784e-01 1.I26 HA = 3.414(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.7136e-01 1.I26 HB = 1.806(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.2856e-01 1.I26 HG12 = 1.662(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.3958e-01 1.I26 HG13 = 1.648(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.6396e-01 1.I26 HG21 = 0.712(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2991e-01 1.I26 HG22 = 0.712(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2991e-01 1.I26 HG23 = 0.712(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2991e-01 1.I26 HD11 = 0.706(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.2856e-01 1.I26 HD12 = 0.706(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.2856e-01 1.I26 HD13 = 0.706(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.2856e-01 1.I26 N = 120.036(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.3935e-01 1.N27 H = 8.080(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.7983e-01 1.N27 HA = 4.260(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.5475e-01 1.N27 HB2 = 2.757(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.6425e-01 1.N27 HB3 = 2.574(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.9380e-01 1.N27 N = 117.673(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.5511e-01 1.K28 H = 7.761(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.7461e-01 1.K28 HA = 3.915(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.1977e-01 1.K28 HB3 = 1.819(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.6983e-01 1.K28 HG2 = 1.352(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.4481e-01 1.K28 HG3 = 1.267(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.6690e-01 1.K28 HD2 = 1.540(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.5035e-01 1.K28 HE2 = 2.810(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.6262e-01 1.K28 N = 118.851(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.5970e-01 1.I29 CA = 63.789(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.1618e-01 1.I29 CG2 = 17.526(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.9765e-01 1.I29 CD1 = 14.529(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.1048e-01 1.I29 H = 7.944(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.2122e-01 1.I29 HA = 3.677(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.6907e-01 1.I29 HB = 1.729(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.6040e-01 1.I29 HG12 = 1.548(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.0286e-01 1.I29 HG13 = 0.976(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.0170e-01 1.I29 HG21 = 0.712(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2991e-01 1.I29 HG22 = 0.712(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2991e-01 1.I29 HG23 = 0.712(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2991e-01 1.I29 HD11 = 0.635(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.7669e-01 1.I29 HD12 = 0.635(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.7669e-01 1.I29 HD13 = 0.635(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.7669e-01 1.I29 N = 121.801(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.3650e-01 1.N30 H = 7.982(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.6986e-01 1.N30 HA = 4.505(D), Expected = 4.67, Std = 0.3600, ChiSquare = 6.4671e-01 1.N30 HB2 = 2.771(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.9989e-01 1.N30 HB3 = 2.673(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.1550e-01 1.N30 N = 117.763(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.7214e-01 1.G31 H = 7.837(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.4817e-01 1.G31 HA2 = 3.941(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3753e-01 1.G31 HA3 = 3.680(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.5211e-01 1.G31 N = 109.216(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0661e-01 1.G32 H = 8.280(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3868e-01 1.G32 HA2 = 3.836(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.1723e-01 1.G32 HA3 = 3.702(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.9256e-01 1.G32 N = 108.078(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8080e-01 1.D33 CA = 53.202(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.6356e-01 1.D33 H = 8.138(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.6681e-01 1.D33 HA = 4.579(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.7258e-01 1.D33 HB2 = 2.857(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.9825e-01 1.D33 HB3 = 2.655(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.8575e-01 1.D33 N = 120.233(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.1397e-01 1.S34 CA = 60.721(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.3371e-01 1.S34 CB = 63.075(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.2423e-01 1.S34 H = 8.432(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.9669e-01 1.S34 HA = 4.118(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.6547e-01 1.S34 HB2 = 3.839(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.6973e-01 1.S34 HB3 = 3.784(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.0689e-01 1.S34 N = 116.098(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5876e-01 1.T35 CA = 64.876(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.0514e-01 1.T35 CB = 68.910(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.1492e-01 1.T35 H = 8.210(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.6141e-01 1.T35 HA = 4.058(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.0231e-01 1.T35 HB = 4.141(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.2997e-01 1.T35 HG21 = 1.082(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0091e-01 1.T35 HG22 = 1.082(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0091e-01 1.T35 HG23 = 1.082(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0091e-01 1.T35 N = 119.076(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.4149e-01 1.T36 CA = 64.470(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.8500e-01 1.T36 H = 7.982(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.7732e-01 1.T36 HA = 3.954(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.9181e-01 1.T36 HB = 4.233(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.4860e-01 1.T36 HG21 = 1.101(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.6535e-01 1.T36 HG22 = 1.101(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.6535e-01 1.T36 HG23 = 1.101(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.6535e-01 1.T36 N = 116.971(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.4403e-01 1.A37 CA = 55.675(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.0044e-01 1.A37 CB = 18.493(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.7755e-01 1.A37 H = 8.095(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6108e-01 1.A37 HA = 3.800(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.9581e-01 1.A37 HB1 = 1.323(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.1729e-01 1.A37 HB2 = 1.323(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.1729e-01 1.A37 HB3 = 1.323(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.1729e-01 1.A37 N = 124.516(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.1640e-01 1.E38 CA = 59.380(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.2431e-01 1.E38 H = 7.922(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.8924e-01 1.E38 HA = 3.849(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.2805e-01 1.E38 HB2 = 1.983(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.6014e-01 1.E38 HB3 = 1.935(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.1100e-01 1.E38 HG2 = 2.201(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.4248e-01 1.E38 HG3 = 2.204(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.3438e-01 1.E38 N = 117.359(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.4138e-01 1.K39 CA = 59.150(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.1731e-01 1.K39 CG = 25.559(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.5383e-01 1.K39 H = 7.452(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.1870e-01 1.K39 HA = 3.884(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.8034e-01 1.K39 HB2 = 1.836(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.2276e-01 1.K39 HB3 = 1.722(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.4685e-01 1.K39 HG2 = 1.439(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.9071e-01 1.K39 HG3 = 1.271(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.7783e-01 1.K39 N = 119.113(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.0740e-01 1.M40 H = 7.990(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.5271e-01 1.M40 HA = 4.123(D), Expected = 4.41, Std = 0.4800, ChiSquare = 5.4990e-01 1.M40 N = 118.998(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.5969e-01 1.K41 CA = 60.498(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.0680e-01 1.K41 H = 7.812(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.2869e-01 1.K41 HA = 3.750(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.3728e-01 1.K41 HB2 = 1.829(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.4461e-01 1.K41 HB3 = 1.817(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.7550e-01 1.K41 HG2 = 1.246(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.3342e-01 1.K41 HG3 = 1.384(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.0335e-01 1.K41 N = 120.583(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.0142e-01 1.V42 CA = 66.345(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7769e-01 1.V42 H = 7.442(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.0563e-01 1.V42 HA = 3.483(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.2286e-01 1.V42 HB = 2.016(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.1043e-01 1.V42 HG11 = 0.820(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.6932e-01 1.V42 HG12 = 0.820(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.6932e-01 1.V42 HG13 = 0.820(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.6932e-01 1.V42 HG21 = 0.941(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.1456e-01 1.V42 HG22 = 0.941(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.1456e-01 1.V42 HG23 = 0.941(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.1456e-01 1.V42 N = 118.966(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3204e-01 1.H43 CA = 58.351(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.2799e-01 1.H43 CB = 30.059(D), Expected = 30.24, Std = 2.0700, ChiSquare = 9.3032e-01 1.H43 H = 7.940(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.5909e-01 1.H43 HA = 4.279(D), Expected = 4.61, Std = 0.4300, ChiSquare = 4.4144e-01 1.H43 HB2 = 3.059(D), Expected = 3.10, Std = 0.3600, ChiSquare = 9.0933e-01 1.H43 HB3 = 3.062(D), Expected = 3.04, Std = 0.3800, ChiSquare = 9.5383e-01 1.H43 HD1 = 6.622(D), Expected = 8.68, Std = 2.6200, ChiSquare = 4.3216e-01 1.H43 N = 120.494(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.4070e-01 1.A44 CA = 55.777(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.8292e-01 1.A44 CB = 18.822(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.1818e-01 1.A44 H = 8.477(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4432e-01 1.A44 HA = 3.764(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.5963e-01 1.A44 HB1 = 1.345(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8466e-01 1.A44 HB2 = 1.345(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8466e-01 1.A44 HB3 = 1.345(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8466e-01 1.A44 N = 121.706(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.6683e-01 1.K45 CA = 59.726(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.0701e-01 1.K45 H = 7.879(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.0423e-01 1.K45 HA = 3.934(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.4508e-01 1.K45 HB2 = 1.786(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.8085e-01 1.K45 HB3 = 1.787(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.6181e-01 1.K45 HG2 = 1.305(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.0259e-01 1.K45 HD2 = 1.524(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.9586e-01 1.K45 HD3 = 1.526(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.3660e-01 1.K45 HE2 = 2.786(D), Expected = 2.92, Std = 0.1900, ChiSquare = 4.8065e-01 1.K45 HE3 = 2.693(D), Expected = 2.91, Std = 0.2000, ChiSquare = 2.7792e-01 1.K45 N = 115.901(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.7201e-01 1.S46 CA = 61.719(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4740e-01 1.S46 H = 8.493(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.1809e-01 1.S46 HA = 4.119(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.6679e-01 1.S46 HB2 = 3.887(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.7766e-01 1.S46 HB3 = 3.839(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.6750e-01 1.S46 N = 116.604(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.2666e-01 1.F47 CA = 61.127(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.3578e-01 1.F47 H = 8.568(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.7267e-01 1.F47 HA = 3.990(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.6152e-01 1.F47 HB2 = 2.915(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.1830e-01 1.F47 HB3 = 2.862(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.6501e-01 1.F47 HD1 = 6.925(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.6321e-01 1.F47 HD2 = 6.925(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.6321e-01 1.F47 HE1 = 7.169(D), Expected = 7.08, Std = 0.3100, ChiSquare = 7.7404e-01 1.F47 HE2 = 7.169(D), Expected = 7.08, Std = 0.3200, ChiSquare = 7.8092e-01 1.F47 N = 124.046(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.8963e-01 1.E48 CA = 61.182(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.4625e-02 1.E48 CG = 36.638(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.5726e-01 1.E48 H = 7.784(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.5475e-01 1.E48 HA = 3.609(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.1795e-01 1.E48 HB2 = 2.124(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.2043e-01 1.E48 HB3 = 1.602(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.1612e-02 1.E48 HG2 = 2.287(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.3548e-01 1.E48 HG3 = 2.547(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.7702e-01 1.E48 N = 119.904(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2578e-01 1.A49 CA = 55.085(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.2594e-01 1.A49 CB = 18.114(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.2440e-01 1.A49 H = 7.917(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.3716e-01 1.A49 HA = 3.676(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.8442e-01 1.A49 HB1 = 1.362(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6319e-01 1.A49 HB2 = 1.362(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6319e-01 1.A49 HB3 = 1.362(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6319e-01 1.A49 N = 120.216(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.9454e-01 1.A50 CB = 17.934(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.5655e-01 1.A50 H = 7.831(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3855e-01 1.A50 HA = 4.006(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.6376e-01 1.A50 HB1 = 1.243(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.8068e-01 1.A50 HB2 = 1.243(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.8068e-01 1.A50 HB3 = 1.243(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.8068e-01 1.A50 N = 120.830(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.9779e-01 1.L51 CB = 41.569(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.9347e-01 1.L51 CG = 27.244(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.7316e-01 1.L51 CD1 = 24.417(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.4887e-01 1.L51 CD2 = 25.462(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.0621e-01 1.L51 H = 7.594(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.2785e-01 1.L51 HA = 3.868(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.3620e-01 1.L51 HB2 = 1.529(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.1170e-01 1.L51 HB3 = 1.225(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.1253e-01 1.L51 HG = 1.452(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.6048e-01 1.L51 HD11 = 0.625(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5529e-01 1.L51 HD12 = 0.625(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5529e-01 1.L51 HD13 = 0.625(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5529e-01 1.L51 HD21 = 0.603(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6144e-01 1.L51 HD22 = 0.603(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6144e-01 1.L51 HD23 = 0.603(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6144e-01 1.L51 N = 119.849(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0611e-01 1.F52 CA = 63.035(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.3853e-02 1.F52 CB = 39.385(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.7222e-01 1.F52 H = 9.022(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.5786e-01 1.F52 HA = 3.766(D), Expected = 4.63, Std = 0.5700, ChiSquare = 1.2957e-01 1.F52 HB2 = 3.114(D), Expected = 3.00, Std = 0.3700, ChiSquare = 7.5800e-01 1.F52 HB3 = 2.973(D), Expected = 2.93, Std = 0.4000, ChiSquare = 9.1439e-01 1.F52 HD1 = 6.449(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.8728e-02 1.F52 HD2 = 6.449(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.8728e-02 1.F52 HE1 = 6.939(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.4923e-01 1.F52 HE2 = 6.939(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.5948e-01 1.F52 N = 122.976(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.4564e-01 1.E53 H = 8.083(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.7548e-01 1.E53 HA = 3.641(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.3745e-01 1.E53 HB2 = 2.025(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.8100e-01 1.E53 HB3 = 1.941(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.3129e-01 1.E53 HG2 = 2.222(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.1920e-01 1.E53 N = 117.896(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.2538e-01 1.K54 H = 7.575(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.0536e-01 1.K54 HA = 4.008(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.5154e-01 1.K54 HB2 = 1.738(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.6658e-01 1.K54 HB3 = 1.650(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.3888e-01 1.K54 HG2 = 1.433(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.0854e-01 1.K54 HG3 = 1.321(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.1751e-01 1.K54 HE2 = 2.733(D), Expected = 2.92, Std = 0.1900, ChiSquare = 3.2501e-01 1.K54 HE3 = 2.753(D), Expected = 2.91, Std = 0.2000, ChiSquare = 4.3245e-01 1.K54 N = 114.936(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.0486e-01 1.S55 H = 7.345(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.1302e-01 1.S55 HA = 4.193(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.7307e-01 1.S55 HB2 = 3.686(D), Expected = 3.88, Std = 0.2500, ChiSquare = 4.3775e-01 1.S55 N = 116.124(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.6465e-01 1.S56 H = 9.058(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.8729e-01 1.S56 HA = 4.339(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.2446e-01 1.S56 HB2 = 3.806(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.6723e-01 1.S56 N = 116.796(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.8346e-01 1.S57 H = 7.313(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.0122e-01 1.S57 HA = 4.544(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.7288e-01 1.S57 HB2 = 4.216(D), Expected = 3.88, Std = 0.2500, ChiSquare = 1.7895e-01 1.S57 HB3 = 3.891(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.7930e-01 1.S57 N = 111.976(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.2143e-01 1.K58 CA = 59.533(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4036e-01 1.K58 CB = 32.499(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7014e-01 1.K58 CG = 24.480(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.1673e-01 1.K58 H = 8.749(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.5151e-01 1.K58 HA = 3.803(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.8852e-01 1.K58 HB2 = 1.538(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.3304e-01 1.K58 HG2 = 1.194(D), Expected = 1.37, Std = 0.2600, ChiSquare = 4.9845e-01 1.K58 HG3 = 1.187(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.6047e-01 1.K58 HE2 = 2.784(D), Expected = 2.92, Std = 0.1900, ChiSquare = 4.7412e-01 1.K58 HE3 = 2.786(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.3526e-01 1.K58 N = 122.543(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.9209e-01 1.E59 H = 9.092(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.9652e-01 1.E59 HA = 3.905(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.0009e-01 1.E59 HB2 = 2.027(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.7341e-01 1.E59 HB3 = 1.774(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.4766e-01 1.E59 HG2 = 2.350(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.0324e-01 1.E59 HG3 = 2.105(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.0984e-01 1.E59 N = 119.776(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9726e-01 1.E60 H = 7.976(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.4851e-01 1.E60 HA = 3.892(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.8257e-01 1.E60 HB2 = 1.923(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.4415e-01 1.E60 HG2 = 2.093(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.9931e-01 1.E60 HG3 = 2.173(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.2634e-01 1.E60 N = 120.508(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6287e-01 1.Y61 CA = 61.627(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.6355e-01 1.Y61 H = 7.759(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.4219e-01 1.Y61 HA = 3.943(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.1990e-01 1.Y61 HB2 = 3.021(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.6418e-01 1.Y61 HB3 = 2.962(D), Expected = 2.84, Std = 0.3900, ChiSquare = 7.5442e-01 1.Y61 HD1 = 6.770(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.9380e-01 1.Y61 HD2 = 6.770(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.9380e-01 1.Y61 HE1 = 6.656(D), Expected = 6.70, Std = 0.2300, ChiSquare = 8.4829e-01 1.Y61 HE2 = 6.656(D), Expected = 6.71, Std = 0.2300, ChiSquare = 8.1438e-01 1.Y61 N = 121.347(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.4390e-01 1.Q62 CA = 58.902(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.7584e-01 1.Q62 CB = 28.408(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.6744e-01 1.Q62 H = 8.432(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.1935e-01 1.Q62 HA = 3.507(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.2902e-02 1.Q62 HB2 = 2.107(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.1965e-01 1.Q62 HB3 = 1.899(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.6564e-01 1.Q62 HG2 = 2.533(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.3018e-01 1.Q62 HG3 = 2.365(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.9593e-01 1.Q62 N = 117.625(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.2924e-01 1.K63 H = 8.198(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8936e-01 1.K63 HA = 3.893(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.9155e-01 1.K63 HB2 = 1.791(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.6490e-01 1.K63 HB3 = 1.732(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.7636e-01 1.K63 HG2 = 1.416(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.5957e-01 1.K63 HG3 = 1.278(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.9707e-01 1.K63 HD2 = 1.509(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.4617e-01 1.K63 HE2 = 2.790(D), Expected = 2.92, Std = 0.1900, ChiSquare = 4.9384e-01 1.K63 N = 119.556(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.9189e-01 1.T64 CB = 68.024(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.9527e-01 1.T64 CG2 = 22.848(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.4225e-01 1.T64 H = 8.157(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.9350e-01 1.T64 HA = 3.832(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.9076e-01 1.T64 HB = 4.017(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.4291e-01 1.T64 HG21 = 1.152(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5839e-01 1.T64 HG22 = 1.152(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5839e-01 1.T64 HG23 = 1.152(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5839e-01 1.T64 N = 116.886(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.5760e-01 1.M65 CB = 31.283(D), Expected = 32.99, Std = 2.2400, ChiSquare = 4.4603e-01 1.M65 H = 8.356(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.7288e-01 1.M65 HA = 4.096(D), Expected = 4.41, Std = 0.4800, ChiSquare = 5.1300e-01 1.M65 HB2 = 1.651(D), Expected = 2.03, Std = 0.3400, ChiSquare = 2.6498e-01 1.M65 HB3 = 1.352(D), Expected = 1.99, Std = 0.3400, ChiSquare = 6.0591e-02 1.M65 HG2 = 2.348(D), Expected = 2.42, Std = 0.3500, ChiSquare = 8.3701e-01 1.M65 HG3 = 2.006(D), Expected = 2.39, Std = 0.3800, ChiSquare = 3.1224e-01 1.M65 N = 123.332(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.6381e-01 1.K66 CA = 59.567(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.3422e-01 1.K66 H = 7.703(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.1698e-01 1.K66 HA = 3.769(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.5485e-01 1.K66 HB2 = 1.723(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.1965e-01 1.K66 HB3 = 1.809(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.9829e-01 1.K66 HG2 = 1.285(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.4373e-01 1.K66 HD2 = 1.475(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.3946e-01 1.K66 HD3 = 1.567(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.8076e-01 1.K66 HE2 = 2.835(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.5461e-01 1.K66 N = 118.739(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.3988e-01 1.S67 H = 7.863(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.7970e-01 1.S67 HA = 4.137(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.9117e-01 1.S67 HB2 = 3.867(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.5853e-01 1.S67 N = 113.100(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.6631e-01 1.K68 H = 7.926(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5994e-01 1.K68 HA = 4.058(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.2993e-01 1.K68 HB2 = 1.928(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.5385e-01 1.K68 HB3 = 1.826(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.5009e-01 1.K68 HD2 = 1.252(D), Expected = 1.61, Std = 0.2200, ChiSquare = 1.0368e-01 1.K68 HD3 = 1.507(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.7249e-01 1.K68 N = 122.926(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.1876e-01 1.I69 CA = 66.412(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.3167e-02 1.I69 CB = 38.018(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.6191e-01 1.I69 CG2 = 17.893(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.8954e-01 1.I69 H = 8.049(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.3408e-01 1.I69 HA = 3.291(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.1240e-01 1.I69 HB = 1.708(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.0392e-01 1.I69 HG13 = 1.664(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.4764e-01 1.I69 HG21 = 0.734(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.9393e-01 1.I69 HG22 = 0.734(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.9393e-01 1.I69 HG23 = 0.734(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.9393e-01 1.I69 HD11 = 0.694(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.6150e-01 1.I69 HD12 = 0.694(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.6150e-01 1.I69 HD13 = 0.694(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.6150e-01 1.I69 N = 120.657(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5118e-01 1.D70 H = 8.662(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.4392e-01 1.D70 HA = 4.180(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.0011e-01 1.D70 HB2 = 2.616(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.8916e-01 1.D70 HB3 = 2.456(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.6626e-01 1.D70 N = 120.064(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7933e-01 1.A71 H = 8.048(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0001e-01 1.A71 HA = 4.023(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.9014e-01 1.A71 HB1 = 1.396(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5957e-01 1.A71 HB2 = 1.396(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5957e-01 1.A71 HB3 = 1.396(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.5957e-01 1.A71 N = 123.533(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.3179e-01 1.M72 CA = 57.408(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.6052e-01 1.M72 CB = 31.942(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.3989e-01 1.M72 H = 8.002(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.6720e-01 1.M72 HA = 4.152(D), Expected = 4.41, Std = 0.4800, ChiSquare = 5.9092e-01 1.M72 HB2 = 2.069(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.0868e-01 1.M72 HB3 = 1.743(D), Expected = 1.99, Std = 0.3400, ChiSquare = 4.6755e-01 1.M72 HG2 = 2.507(D), Expected = 2.42, Std = 0.3500, ChiSquare = 8.0369e-01 1.M72 HG3 = 2.344(D), Expected = 2.39, Std = 0.3800, ChiSquare = 9.0365e-01 1.M72 N = 118.690(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.9494e-01 1.R73 CA = 60.393(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.1679e-01 1.R73 H = 8.651(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.0046e-01 1.R73 HA = 3.621(D), Expected = 4.30, Std = 0.4600, ChiSquare = 1.3992e-01 1.R73 HB2 = 1.771(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.4390e-01 1.R73 HB3 = 1.838(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.8057e-01 1.R73 HG2 = 1.396(D), Expected = 1.57, Std = 0.2700, ChiSquare = 5.1929e-01 1.R73 HD2 = 3.059(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.9937e-01 1.R73 HD3 = 3.073(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.1729e-01 1.R73 N = 121.385(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7369e-01 1.S74 H = 7.913(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.3392e-01 1.S74 HA = 4.130(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.8157e-01 1.S74 HB2 = 3.872(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.7447e-01 1.S74 N = 114.495(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.1208e-01 1.T75 CA = 66.294(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.1572e-01 1.T75 H = 7.890(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.7240e-01 1.T75 HA = 3.809(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.7502e-01 1.T75 HB = 4.195(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.3961e-01 1.T75 HG21 = 1.055(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.1171e-01 1.T75 HG22 = 1.055(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.1171e-01 1.T75 HG23 = 1.055(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.1171e-01 1.T75 N = 119.177(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.2897e-01 1.R76 CA = 59.501(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.3711e-01 1.R76 CB = 29.089(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.7868e-01 1.R76 H = 8.190(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.3467e-01 1.R76 HA = 3.593(D), Expected = 4.30, Std = 0.4600, ChiSquare = 1.2430e-01 1.R76 HB2 = 2.101(D), Expected = 1.79, Std = 0.2700, ChiSquare = 2.4938e-01 1.R76 HB3 = 2.107(D), Expected = 1.76, Std = 0.2800, ChiSquare = 2.1524e-01 1.R76 HG2 = 1.583(D), Expected = 1.57, Std = 0.2700, ChiSquare = 9.6160e-01 1.R76 HG3 = 1.281(D), Expected = 1.54, Std = 0.2900, ChiSquare = 3.7180e-01 1.R76 HD2 = 3.106(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.5348e-01 1.R76 HD3 = 3.096(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.8773e-01 1.R76 N = 122.864(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.7489e-01 1.D77 H = 8.342(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.5600e-01 1.D77 HA = 4.191(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.1244e-01 1.D77 HB2 = 2.597(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.3616e-01 1.D77 HB3 = 2.550(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.9442e-01 1.D77 N = 119.328(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.3198e-01 1.K78 H = 7.925(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5873e-01 1.K78 HA = 3.903(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.0423e-01 1.K78 HB2 = 1.809(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.0765e-01 1.K78 HB3 = 1.734(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.8227e-01 1.K78 HG2 = 1.249(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.4166e-01 1.K78 HG3 = 1.413(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.2198e-01 1.K78 HD2 = 1.514(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.6257e-01 1.K78 HE2 = 2.786(D), Expected = 2.92, Std = 0.1900, ChiSquare = 4.8065e-01 1.K78 N = 121.688(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.6562e-01 1.R79 CA = 57.019(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.1416e-01 1.R79 CB = 29.410(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.8086e-01 1.R79 H = 8.048(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.5295e-01 1.R79 HA = 4.014(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.3411e-01 1.R79 HB2 = 1.743(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.6181e-01 1.R79 HG2 = 1.620(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.5308e-01 1.R79 HG3 = 1.546(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.8349e-01 1.R79 HD2 = 3.083(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.7748e-01 1.R79 HD3 = 3.015(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.4373e-01 1.R79 N = 118.832(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.9280e-01 1.K80 H = 8.242(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3094e-01 1.K80 HA = 3.905(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.0680e-01 1.K80 HB2 = 1.780(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.0000e+00 1.K80 HB3 = 1.689(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.5018e-01 1.K80 HG2 = 1.351(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.4175e-01 1.K80 HG3 = 1.304(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.6951e-01 1.K80 HE2 = 2.795(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.1061e-01 1.K80 N = 120.630(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.1129e-01 1.R81 H = 7.817(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.8803e-01 1.R81 HA = 4.055(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.9430e-01 1.R81 HB2 = 1.730(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.2414e-01 1.R81 HG2 = 1.582(D), Expected = 1.57, Std = 0.2700, ChiSquare = 9.6455e-01 1.R81 HG3 = 1.500(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.9030e-01 1.R81 HD2 = 3.049(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.6736e-01 1.R81 N = 119.967(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.2092e-01 1.E82 H = 7.977(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.4964e-01 1.E82 HA = 4.066(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.5359e-01 1.E82 HB2 = 1.884(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.1723e-01 1.E82 HG2 = 2.249(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.2034e-01 1.E82 HG3 = 2.110(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.2454e-01 1.E82 N = 119.475(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3130e-01 1.S83 H = 7.877(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9457e-01 1.S83 HA = 4.301(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.5451e-01 1.S83 HB2 = 3.769(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.5704e-01 1.S83 N = 115.505(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.2574e-01 1.V84 CA = 62.580(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.7490e-01 1.V84 CB = 32.666(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.7148e-01 1.V84 CG1 = 21.130(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.9124e-01 1.V84 CG2 = 20.519(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.3479e-01 1.V84 H = 7.815(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.7835e-01 1.V84 HA = 4.017(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.6549e-01 1.V84 HB = 2.000(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.5016e-01 1.V84 HG11 = 0.794(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.8988e-01 1.V84 HG12 = 0.794(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.8988e-01 1.V84 HG13 = 0.794(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.8988e-01 1.V84 HG21 = 0.794(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.8290e-01 1.V84 HG22 = 0.794(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.8290e-01 1.V84 HG23 = 0.794(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.8290e-01 1.V84 N = 120.881(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5451e-01 1.G85 H = 8.249(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.0083e-01 1.G85 HA2 = 3.788(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.2280e-01 1.G85 HA3 = 3.823(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.3514e-01 1.G85 N = 112.515(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6225e-01 1.S86 H = 7.758(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.7629e-01 1.S86 N = 121.350(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.4977e-01