Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.D1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> N 0.39 D 0.28 L 0.09 F 0.07 C 0.07 Y 0.06 C Shift Assignments>> CA :: 53.106(D) CB :: 39.761(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>> HA :: 4.181(D) HB2 :: 2.906(D) HB3 :: 2.830(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.E2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.37 E 0.37 I 0.11 K 0.05 Q 0.03 M 0.03 C Shift Assignments>> CA :: 58.878(D) CB :: 29.812 CG :: 36.380(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>> HA :: 4.090(D) HB2 :: 1.983 HG2 :: 2.264(D) HG3 :: 2.203(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.A3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.64 A 0.27 I 0.05 C 0.02 C Shift Assignments>> CA :: 55.535(D) CB :: 17.735(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.462(D) HA :: 3.894(D) HB1 :: 1.337(D) HB2 :: 1.337(D) HB3 :: 1.337(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.463(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.53 A 0.38 I 0.03 C 0.02 HN Overlap>> 1.V48 1.V48 C Shift Assignments>> C :: 180.151 CA :: 55.255(D) CB :: 18.207(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.975(D) HA :: 4.038(D) HB1 :: 1.434(D) HB2 :: 1.434(D) HB3 :: 1.434(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.816(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 E 0.34 I 0.15 K 0.08 Q 0.04 M 0.01 C Shift Assignments>> C :: 179.016 CA :: 59.067(D) CB :: 29.209(D) CG :: 36.203(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 :: 7.808(D) HA :: 4.042(D) HB2 :: 2.123(D) HB3 :: 2.043(D) HG2 :: 2.338(D) HG3 :: 2.276(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 :: 118.577(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 L 0.33 R 0.23 G 0.05 C Shift Assignments>> C :: 177.891 CA :: 57.915(D) CB :: 43.188(D) CG :: 27.279(D) CD1 :: 26.891(D) CD2 :: 23.462(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 :: 8.278(D) HA :: 4.035(D) HB2 :: 1.931(D) HB3 :: 1.217(D) HG :: 1.763(D) HD11 :: 0.865(D) HD12 :: 0.865(D) HD13 :: 0.865(D) HD21 :: 0.826(D) HD22 :: 0.826(D) HD23 :: 0.826(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 :: 121.616(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.57 M 0.41 C Shift Assignments>> C :: 178.000 CA :: 59.029(D) CB :: 32.279(D) CG :: 32.707(D) CE :: 17.238(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 :: 8.524(D) HA :: 3.998(D) HB2 :: 2.063(D) HB3 :: 2.147(D) HG2 :: 2.617(D) HG3 :: 2.560(D) HE1 :: 2.021(D) HE2 :: 2.021(D) HE3 :: 2.021(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 :: 118.417(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Q8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 Q 0.21 K 0.2 R 0.17 M 0.01 E 0.01 I 0.01 C Shift Assignments>> C :: 176.746 CA :: 58.471(D) CB :: 27.657(D) CG :: 33.152(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 :: 7.543(D) HA :: 4.072(D) HB2 :: 2.158(D) HG2 :: 2.435(D) HE21 :: 7.302(D) HE22 :: 6.802(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 :: 118.959(D) NE2 :: 111.315(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 Q 0.22 K 0.22 E 0.09 I 0.04 R 0.04 M 0.01 C Shift Assignments>> C :: 177.854 CA :: 59.232(D) CB :: 28.562(D) CG :: 34.204(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 :: 7.740(D) HA :: 4.007(D) HB2 :: 2.208(D) HB3 :: 2.113(D) HG2 :: 2.524(D) HG3 :: 2.283(D) HE21 :: 7.215(D) HE22 :: 6.705(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 :: 119.481(D) NE2 :: 110.100(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.73 C 0.26 HN Overlap>> 1.Q39 1.Q39 C Shift Assignments>> C :: 175.906 CA :: 67.568(D) CB :: 31.798(D) CG1 :: 24.756(D) CG2 :: 21.136(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.329(D) HA :: 3.356(D) HB :: 2.152(D) HG11 :: 0.956(D) HG12 :: 0.956(D) HG13 :: 0.956(D) HG21 :: 0.802(D) HG22 :: 0.802(D) HG23 :: 0.802(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 :: 119.502(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.48 K 0.42 R 0.07 C Shift Assignments>> C :: 178.507 CA :: 60.248(D) CB :: 32.314(D) CG :: 25.155(D) CD :: 29.514(D) CE :: 42.127(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 :: 7.603(D) HA :: 3.832(D) HB2 :: 1.907(D) HG2 :: 1.545(D) HG3 :: 1.288(D) HD2 :: 1.632(D) HE2 :: 2.893(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 :: 118.665(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.91 C 0.08 HN Overlap>> 1.D54 1.D54 C Shift Assignments>> C :: 178.757 CA :: 66.337(D) CB :: 32.042(D) CG1 :: 22.633(D) CG2 :: 21.004(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 :: 7.894(D) HA :: 3.658(D) HB :: 2.101(D) HG11 :: 1.049(D) HG12 :: 1.049(D) HG13 :: 1.049(D) HG21 :: 0.894(D) HG22 :: 0.894(D) HG23 :: 0.894(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 :: 118.209(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 R 0.35 L 0.08 G 0.08 C Shift Assignments>> C :: 177.825 CA :: 58.420(D) CB :: 43.353(D) CG :: 27.974(D) CD1 :: 23.465(D) CD2 :: 27.675(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 :: 8.516(D) HA :: 3.990(D) HB2 :: 1.249(D) HB3 :: 2.058(D) HG :: 1.789(D) HD11 :: 0.831(D) HD12 :: 0.831(D) HD13 :: 0.831(D) HD21 :: 0.924(D) HD22 :: 0.924(D) HD23 :: 0.924(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.025(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.58 K 0.23 R 0.17 C Shift Assignments>> C :: 178.844 CA :: 60.774(D) CB :: 32.299(D) CG :: 26.715(D) CD :: 29.601(D) CE :: 41.874(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 :: 8.708(D) HA :: 3.806(D) HB2 :: 1.899(D) HG2 :: 1.322(D) HD2 :: 1.538(D) HD3 :: 1.582(D) HE2 :: 2.830(D) HE3 :: 2.855(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 :: 119.105(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.57 C 0.4 HN Overlap>> 1.I52 1.I52 C Shift Assignments>> C :: 177.775 CA :: 57.945(D) CB :: 41.367(D) CG :: 26.787(D) CD1 :: 25.035(D) CD2 :: 23.476(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 :: 7.496(D) HA :: 4.102(D) HB2 :: 1.853(D) HB3 :: 1.638(D) HG :: 1.752(D) HD11 :: 0.854(D) HD12 :: 0.854(D) HD13 :: 0.854(D) HD21 :: 0.830(D) HD22 :: 0.830(D) HD23 :: 0.830(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 :: 120.180(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.378 CA :: 67.111(D) CB :: 68.554(D) CG2 :: 21.774(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 :: 8.059(D) HA :: 3.940(D) HB :: 4.428(D) HG21 :: 1.264(D) HG22 :: 1.264(D) HG23 :: 1.264(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.992(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.69 C 0.3 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> C :: 175.860 CA :: 67.586(D) CB :: 31.899(D) CG1 :: 24.885(D) CG2 :: 21.125(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.427(D) HA :: 3.351(D) HB :: 2.173(D) HG11 :: 0.960(D) HG12 :: 0.960(D) HG13 :: 0.960(D) HG21 :: 0.799(D) HG22 :: 0.799(D) HG23 :: 0.799(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.631(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.39 E 0.32 I 0.21 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.619 CA :: 59.742(D) CB :: 29.555(D) CG :: 36.578(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 :: 7.595(D) HA :: 4.028(D) HB2 :: 2.127(D) HB3 :: 2.057(D) HG2 :: 2.447(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 :: 118.235(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.24 C 0.11 L 0.11 D 0.1 I 0.06 K 0.05 N 0.01 C Shift Assignments>> C :: 178.553 CA :: 57.488(D) CB :: 40.395(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 :: 8.096(D) HA :: 4.394(D) HB2 :: 2.821(D) HB3 :: 2.638(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 :: 119.958(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.44 R 0.26 G 0.23 L 0.04 C Shift Assignments>> C :: 178.429 CA :: 57.930(D) CB :: 44.282(D) CG :: 27.630(D) CD1 :: 24.162(D) CD2 :: 28.439(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 :: 8.502(D) HA :: 4.120(D) HB2 :: 2.074(D) HB3 :: 1.232(D) HG :: 1.861(D) HD11 :: 0.854(D) HD12 :: 0.854(D) HD13 :: 0.854(D) HD21 :: 0.960(D) HD22 :: 0.960(D) HD23 :: 0.960(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 :: 122.348(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 I 0.43 E 0.1 C Shift Assignments>> C :: 177.319 CA :: 60.552(D) CB :: 29.641(D) CG :: 38.075(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 :: 8.879(D) HA :: 3.677(D) HB2 :: 1.909(D) HB3 :: 2.209(D) HG2 :: 2.598(D) HG3 :: 2.023(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 :: 119.905(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.49 K 0.41 R 0.08 C Shift Assignments>> C :: 178.781 CA :: 59.737(D) CB :: 32.347(D) CG :: 25.207(D) CE :: 42.145(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 :: 7.517(D) HA :: 4.042(D) HB2 :: 1.936(D) HB3 :: 1.879(D) HG2 :: 1.368(D) HG3 :: 1.609(D) HE2 :: 2.886(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 :: 117.333(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.44 E 0.34 I 0.11 M 0.04 K 0.02 Q 0.01 C Shift Assignments>> C :: 176.508 CA :: 59.783(D) CB :: 30.548(D) CG :: 36.428(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 :: 7.861(D) HA :: 3.797(D) HB2 :: 1.988(D) HB3 :: 2.006(D) HG2 :: 2.266(D) HG3 :: 1.963(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.471(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.57 K 0.2 R 0.17 L 0.02 G 0.01 C Shift Assignments>> C :: 177.769 CA :: 61.212(D) CB :: 28.814(D) CG :: 26.482(D) CD :: 42.197(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.955(D) HA :: 3.929(D) HB2 :: 2.341(D) HB3 :: 1.868(D) HG2 :: 2.010(D) HG3 :: 2.028(D) HD2 :: 3.326(D) HD3 :: 3.264(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 :: 118.934(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.D25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.28 C 0.14 D 0.08 I 0.08 L 0.07 N 0.02 C Shift Assignments>> C :: 178.102 CA :: 57.531(D) CB :: 39.670(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 :: 8.790(D) HA :: 4.454(D) HB2 :: 2.713(D) HB3 :: 2.904(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 :: 118.982(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 177.756 CA :: 60.119(D) CB :: 39.108(D) CD1 :: 132.354(D) CD2 :: 132.354(D) CE1 :: 131.052(D) CE2 :: 131.052(D) CZ :: 129.804(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 :: 8.178(D) HA :: 4.472(D) HB2 :: 3.256(D) HB3 :: 3.093(D) HD1 :: 7.075(D) HD2 :: 7.075(D) HE1 :: 7.327(D) HE2 :: 7.327(D) HZ :: 7.315(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 :: 124.680(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.52 C 0.47 HN Overlap>> 1.C38 1.C38 C Shift Assignments>> C :: 177.153 CA :: 58.715(D) CB :: 37.981(D) CD1 :: 131.753(D) CD2 :: 131.753(D) CE1 :: 119.169(D) CE2 :: 119.169(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.152(D) HA :: 4.299(D) HB2 :: 3.275(D) HB3 :: 3.202(D) HD1 :: 7.056(D) HD2 :: 7.056(D) HE1 :: 6.946(D) HE2 :: 6.946(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 :: 118.459(D) Ave N Shift Values>> N :: 120.52(4.2) 1.F28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 176.464 CA :: 61.689(D) CB :: 39.235(D) CD1 :: 131.293(D) CD2 :: 131.293(D) CE1 :: 130.967(D) CE2 :: 130.967(D) CZ :: 129.673(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 :: 9.125(D) HA :: 3.602(D) HB2 :: 2.967(D) HB3 :: 2.927(D) HD1 :: 6.694(D) HD2 :: 6.694(D) HE1 :: 7.208(D) HE2 :: 7.208(D) HZ :: 7.218(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 :: 120.359(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 175.746 CA :: 46.959(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.429(D) HA2 :: 3.575(D) HA3 :: 3.873(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.268(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.6 R 0.29 K 0.07 G 0.02 C Shift Assignments>> C :: 177.422 CA :: 60.376(D) CB :: 34.264(D) CG :: 26.077(D) CD :: 31.272(D) CE :: 42.428(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 :: 7.173(D) HA :: 3.835(D) HB2 :: 1.209(D) HB3 :: 2.071(D) HG2 :: 1.012(D) HD2 :: 1.388(D) HD3 :: 1.364(D) HE2 :: 2.618(D) HE3 :: 2.273(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 :: 120.562(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.64 L 0.34 C Shift Assignments>> C :: 177.842 CA :: 58.151(D) CB :: 40.356(D) CG :: 26.727(D) CD1 :: 23.619(D) CD2 :: 26.838(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 :: 7.488(D) HA :: 3.564(D) HB2 :: 1.110(D) HB3 :: 1.620(D) HG :: 1.568(D) HD11 :: 0.529(D) HD12 :: 0.529(D) HD13 :: 0.529(D) HD21 :: 0.820(D) HD22 :: 0.820(D) HD23 :: 0.820(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 :: 118.812(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 R 0.34 K 0.2 L 0.04 G 0.03 C Shift Assignments>> C :: 177.647 CA :: 58.388(D) CB :: 29.290(D) CG :: 26.279(D) CD :: 42.937(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.116(D) HA :: 3.792(D) HB2 :: 1.476(D) HB3 :: 1.648(D) HG2 :: 1.296(D) HG3 :: 1.252(D) HD2 :: 3.073(D) HD3 :: 2.943(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 :: 119.261(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.N33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 F 0.2 C 0.17 N 0.13 D 0.09 I 0.04 L 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 177.421 CA :: 56.184(D) CB :: 38.518(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>> H :: 7.732(D) HA :: 4.446(D) HB2 :: 2.794(D) HB3 :: 2.567(D) HD21 :: 7.269(D) HD22 :: 6.881(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 :: 118.021(D) ND2 :: 112.247(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 176.282 CA :: 66.158(D) CB :: 38.008(D) CG2 :: 17.770(D) CD1 :: 13.922(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 :: 8.327(D) HA :: 3.443(D) HB :: 1.794(D) HG21 :: 0.695(D) HG22 :: 0.695(D) HG23 :: 0.695(D) HD11 :: 0.538(D) HD12 :: 0.538(D) HD13 :: 0.538(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 :: 122.295(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.44 E 0.3 I 0.11 K 0.04 Q 0.04 M 0.04 C Shift Assignments>> C :: 177.353 CA :: 60.299(D) CB :: 30.302(D) CG :: 35.754(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 :: 8.564(D) HA :: 3.510(D) HB2 :: 2.174(D) HG2 :: 2.019(D) HG3 :: 2.169(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 :: 122.885(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.51 C 0.46 R 0.01 C Shift Assignments>> C :: 178.667 CA :: 58.361(D) CB :: 41.572(D) CG :: 26.851(D) CD1 :: 23.281(D) CD2 :: 24.973(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 :: 7.648(D) HA :: 3.989(D) HB2 :: 1.805(D) HB3 :: 1.551(D) HG :: 1.714(D) HD11 :: 0.794(D) HD12 :: 0.794(D) HD13 :: 0.794(D) HD21 :: 0.841(D) HD22 :: 0.841(D) HD23 :: 0.841(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 :: 118.367(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 178.321 CA :: 64.983(D) CB :: 37.730(D) CG1 :: 29.086(D) CG2 :: 17.827(D) CD1 :: 14.275(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 :: 7.370(D) HA :: 3.597(D) HB :: 1.856(D) HG12 :: 0.989(D) HG21 :: 0.734(D) HG22 :: 0.734(D) HG23 :: 0.734(D) HD11 :: 0.637(D) HD12 :: 0.637(D) HD13 :: 0.637(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 :: 119.822(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.51 I 0.38 C 0.09 HN Overlap>> 1.Y27 1.Y27 C Shift Assignments>> C :: 176.427 CA :: 64.746(D) CB :: 26.337(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.099(D) HA :: 3.871(D) HB2 :: 2.490(D) HB3 :: 2.991(D) HG :: 2.272 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.535(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Q39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 Q 0.26 K 0.25 E 0.07 R 0.05 I 0.02 M 0.01 HN Overlap>> 1.V10 1.V10 C Shift Assignments>> C :: 177.680 CA :: 58.413(D) CB :: 28.493(D) CG :: 33.979(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 :: 8.277(D) HA :: 4.076(D) HB2 :: 2.147(D) HB3 :: 2.069(D) HG2 :: 2.511(D) HG3 :: 2.354(D) HE21 :: 7.359(D) HE22 :: 6.611(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 :: 119.448(D) NE2 :: 110.524(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.39 C 0.37 I 0.08 K 0.06 M 0.04 Q 0.03 C Shift Assignments>> C :: 175.939 CA :: 58.172(D) CB :: 29.966(D) CG :: 36.401(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 :: 7.948(D) HA :: 4.051(D) HB2 :: 2.009(D) HB3 :: 2.093(D) HG2 :: 2.457(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 :: 118.976(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 N 0.23 L 0.16 F 0.08 Y 0.06 C 0.06 K 0.03 C Shift Assignments>> C :: 173.715 CA :: 53.457(D) CB :: 40.564(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>> H :: 7.345(D) HA :: 4.811(D) HB2 :: 2.812(D) HB3 :: 2.323(D) HD21 :: 7.728(D) HD22 :: 7.121(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 :: 115.527(D) ND2 :: 116.122(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.35 C 0.33 K 0.11 Q 0.08 I 0.07 M 0.03 C Shift Assignments>> C :: 176.498 CA :: 58.326(D) CB :: 29.517(D) CG :: 35.842(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 :: 7.693(D) HA :: 4.091(D) HB2 :: 2.075(D) HB3 :: 2.026(D) HG2 :: 2.258(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.779(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.441 CA :: 45.803(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.625(D) HA2 :: 3.839(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.896(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.36 C 0.29 K 0.13 Q 0.12 M 0.05 I 0.02 C Shift Assignments>> C :: 175.540 CA :: 56.450(D) CB :: 29.606(D) CG :: 35.804(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 :: 7.872(D) HA :: 4.168(D) HB2 :: 1.905(D) HB3 :: 2.077(D) HG2 :: 2.314(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 :: 118.336(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.53 C 0.12 D 0.1 Y 0.08 F 0.07 L 0.02 E 0.02 M 0.01 C Shift Assignments>> C :: 173.462 CA :: 53.389(D) CB :: 38.120(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>> H :: 8.229(D) HA :: 4.465(D) HB2 :: 2.660(D) HB3 :: 2.813(D) HD21 :: 7.467(D) HD22 :: 6.757(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 :: 117.723(D) ND2 :: 112.251(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.28 R 0.1 K 0.08 N 0.06 C 0.04 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 174.117 CA :: 52.184(D) CB :: 42.453(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 :: 8.338(D) HA :: 4.844(D) HB2 :: 2.735(D) HB3 :: 2.564(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 :: 122.086(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 178.091 CA :: 64.990(D) CB :: 32.294(D) CG :: 27.446(D) CD :: 51.090(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 :: 4.255(D) HB2 :: 2.295(D) HB3 :: 1.910(D) HG2 :: 2.017(D) HD2 :: 3.924(D) HD3 :: 3.848(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.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.89 C 0.1 HN Overlap>> 1.A4 1.A4 C Shift Assignments>> C :: 176.912 CA :: 66.340(D) CB :: 31.044(D) CG1 :: 22.748(D) CG2 :: 22.100(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.036(D) HA :: 3.549(D) HB :: 2.112(D) HG11 :: 0.872(D) HG12 :: 0.872(D) HG13 :: 0.872(D) HG21 :: 0.712(D) HG22 :: 0.712(D) HG23 :: 0.712(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 :: 119.802(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 L 0.48 C Shift Assignments>> C :: 178.459 CA :: 57.658(D) CB :: 40.670(D) CG :: 27.180(D) CD1 :: 23.416(D) CD2 :: 25.742(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 :: 7.710(D) HA :: 3.837(D) HB2 :: 1.794(D) HB3 :: 1.474(D) HG :: 1.654(D) HD11 :: 0.677(D) HD12 :: 0.677(D) HD13 :: 0.677(D) HD21 :: 0.836(D) HD22 :: 0.836(D) HD23 :: 0.836(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 :: 119.043(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 Q 0.25 K 0.22 R 0.08 E 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 176.840 CA :: 58.637(D) CB :: 28.072(D) CG :: 33.808(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 :: 8.112(D) HA :: 3.775(D) HB2 :: 1.952(D) HB3 :: 2.084(D) HG3 :: 2.311(D) HE21 :: 7.501(D) HE22 :: 6.727(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 :: 116.615(D) NE2 :: 113.748(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 R 0.34 G 0.18 C Shift Assignments>> C :: 178.405 CA :: 59.111(D) CB :: 30.490(D) CG :: 27.333(D) CD :: 44.129(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 :: 7.314(D) HA :: 4.054(D) HB2 :: 1.981(D) HB3 :: 1.907(D) HG2 :: 1.656(D) HD2 :: 3.234(D) HD3 :: 3.043(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 :: 117.776(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.I52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.91 C 0.08 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> C :: 176.235 CA :: 66.142(D) CB :: 37.475(D) CG2 :: 16.756(D) CD1 :: 13.884(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 :: 7.474(D) HA :: 3.387(D) HB :: 2.056(D) HG21 :: 0.566(D) HG22 :: 0.566(D) HG23 :: 0.566(D) HD11 :: 0.604(D) HD12 :: 0.604(D) HD13 :: 0.604(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 :: 120.127(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 176.149 CA :: 67.248(D) CB :: 31.364(D) CG1 :: 21.848(D) CG2 :: 23.497(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.440(D) HA :: 3.284(D) HB :: 2.064(D) HG11 :: 0.833(D) HG12 :: 0.833(D) HG13 :: 0.833(D) HG21 :: 0.925(D) HG22 :: 0.925(D) HG23 :: 0.925(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.934(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.25 C 0.12 D 0.11 L 0.1 I 0.05 N 0.03 K 0.02 HN Overlap>> 1.V12 1.V12 C Shift Assignments>> C :: 178.727 CA :: 57.207(D) CB :: 40.061(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 :: 7.964(D) HA :: 4.323(D) HB2 :: 2.551(D) HB3 :: 2.726(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 :: 118.129(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.617 CA :: 63.775(D) CB :: 37.386(D) CG1 :: 28.686(D) CG2 :: 17.756(D) CD1 :: 13.694(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 :: 7.252(D) HA :: 3.699(D) HB :: 1.983(D) HG12 :: 1.189(D) HG13 :: 1.514(D) HG21 :: 0.824(D) HG22 :: 0.824(D) HG23 :: 0.824(D) HD11 :: 0.645(D) HD12 :: 0.645(D) HD13 :: 0.645(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 :: 119.467(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.49 C 0.44 K 0.04 C Shift Assignments>> C :: 178.600 CA :: 58.528(D) CB :: 41.429(D) CD1 :: 25.948(D) CD2 :: 24.040(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 :: 8.324(D) HA :: 3.590(D) HB2 :: 1.699(D) HB3 :: 0.902(D) HD11 :: 0.601(D) HD12 :: 0.601(D) HD13 :: 0.601(D) HD21 :: 0.557(D) HD22 :: 0.557(D) HD23 :: 0.557(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 :: 120.564(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 175.005 CA :: 56.924(D) CB :: 37.580(D) CD1 :: 132.463(D) CD2 :: 132.463(D) CE1 :: 117.828(D) CE2 :: 117.828(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.770(D) HA :: 4.661(D) HB2 :: 2.795(D) HB3 :: 3.296(D) HD1 :: 7.099(D) HD2 :: 7.099(D) HE1 :: 6.693(D) HE2 :: 6.693(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 :: 114.638(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 M 0.18 C 0.02 C Shift Assignments>> C :: 177.853 CA :: 53.402(D) CB :: 18.960(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.292(D) HA :: 4.354(D) HB1 :: 1.516(D) HB2 :: 1.516(D) HB3 :: 1.516(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.024(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.343 CA :: 61.082(D) CB :: 70.479(D) CG2 :: 21.633(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 :: 8.559(D) HA :: 4.621(D) HB :: 4.327(D) HG21 :: 1.244(D) HG22 :: 1.244(D) HG23 :: 1.244(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 :: 114.051(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.22 N 0.11 K 0.09 F 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.261 CA :: 54.082(D) CB :: 41.140(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 :: 8.331(D) HA :: 4.519(D) HB2 :: 2.420(D) HB3 :: 2.274(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 :: 121.459(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.4 C 0.34 M 0.07 K 0.07 Q 0.05 I 0.04 HN Overlap>> 1.V17 1.E68 1.V17 1.E68 C Shift Assignments>> C :: 175.918 CA :: 57.029(D) CB :: 30.070(D) CG :: 36.288(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 :: 8.401(D) HA :: 4.134(D) HB2 :: 1.823(D) HB3 :: 1.968(D) HG2 :: 2.184(D) HG3 :: 2.149(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.695(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 172.607 CA :: 45.305(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.350(D) HA3 :: 3.775(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.185(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 174.036 CA :: 57.598(D) CB :: 39.713(D) CD1 :: 131.664(D) CD2 :: 131.664(D) CE1 :: 131.365(D) CE2 :: 131.365(D) CZ :: 129.640(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 :: 7.851(D) HA :: 4.527(D) HB2 :: 2.958(D) HB3 :: 2.919(D) HD1 :: 7.100(D) HD2 :: 7.100(D) HE1 :: 7.224(D) HE2 :: 7.224(D) HZ :: 7.178(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 :: 119.994(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 174.199 CA :: 61.738(D) CB :: 33.146(D) CG1 :: 21.006(D) CG2 :: 20.735(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 :: 7.899(D) HA :: 3.960(D) HB :: 1.817(D) HG11 :: 0.730(D) HG12 :: 0.730(D) HG13 :: 0.730(D) HG21 :: 0.784(D) HG22 :: 0.784(D) HG23 :: 0.784(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 :: 123.570(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 173.552 CA :: 58.555(D) CB :: 38.490(D) CG1 :: 27.287(D) CG2 :: 17.039(D) CD1 :: 12.815(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 :: 8.250(D) HA :: 4.271(D) HB :: 1.763(D) HG12 :: 1.473(D) HG13 :: 1.121(D) HG21 :: 0.887(D) HG22 :: 0.887(D) HG23 :: 0.887(D) HD11 :: 0.822(D) HD12 :: 0.822(D) HD13 :: 0.822(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 :: 127.587(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 175.462 CA :: 63.083(D) CB :: 32.224(D) CG :: 27.308(D) CD :: 51.124(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 :: 4.291(D) HB2 :: 1.825(D) HB3 :: 2.191(D) HG2 :: 1.956(D) HG3 :: 1.890(D) HD2 :: 3.842(D) HD3 :: 3.631(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.D67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.23 K 0.12 N 0.09 F 0.09 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.446 CA :: 54.305(D) CB :: 41.287(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 :: 8.295(D) HA :: 4.480(D) HB2 :: 2.531(D) HB3 :: 2.615(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 :: 121.048(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.39 C 0.33 M 0.1 Q 0.06 K 0.06 I 0.02 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> C :: 175.987 CA :: 56.714(D) CB :: 30.264(D) CG :: 36.159(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 :: 8.387(D) HA :: 4.219(D) HB2 :: 2.029(D) HB3 :: 1.864(D) HG2 :: 2.169(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.776(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 172.788 CA :: 45.404(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.427(D) HA2 :: 3.859(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.205(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 178.140 CA :: 46.026(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.883(D) HA2 :: 3.685(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.135(D) Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 70 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 70 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 70 #Suspicious: 0 C Shift Results: #Consistent: 68 #Duplicate: 245 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 2 #Duplicate: 483 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 73 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D1 CA = 53.106(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.3522e-01 1.D1 CB = 39.761(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.8973e-01 1.D1 HA = 4.181(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.0121e-01 1.D1 HB2 = 2.906(D), Expected = 2.72, Std = 0.2600, ChiSquare = 4.7437e-01 1.D1 HB3 = 2.830(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.4376e-01 1.E2 CA = 58.878(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5600e-01 1.E2 CG = 36.380(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.2051e-01 1.E2 HA = 4.090(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.9636e-01 1.E2 HG2 = 2.264(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.7721e-01 1.E2 HG3 = 2.203(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.3083e-01 1.A3 CA = 55.535(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2643e-01 1.A3 CB = 17.735(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.8598e-01 1.A3 H = 8.462(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.6235e-01 1.A3 HA = 3.894(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.0551e-01 1.A3 HB1 = 1.337(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6012e-01 1.A3 HB2 = 1.337(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6012e-01 1.A3 HB3 = 1.337(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6012e-01 1.A3 N = 121.463(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1767e-01 1.A4 CA = 55.255(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8544e-01 1.A4 CB = 18.207(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.6081e-01 1.A4 H = 7.975(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0766e-01 1.A4 HA = 4.038(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.1388e-01 1.A4 HB1 = 1.434(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.4664e-01 1.A4 HB2 = 1.434(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.4664e-01 1.A4 HB3 = 1.434(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.4664e-01 1.A4 N = 119.816(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.3484e-01 1.E5 CA = 59.067(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.0322e-01 1.E5 CB = 29.209(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.4143e-01 1.E5 CG = 36.203(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.3771e-01 1.E5 H = 7.808(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.7629e-01 1.E5 HA = 4.042(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.1193e-01 1.E5 HB2 = 2.123(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.2380e-01 1.E5 HB3 = 2.043(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.1775e-01 1.E5 HG2 = 2.338(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.4608e-01 1.E5 HG3 = 2.276(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.0592e-01 1.E5 N = 118.577(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4755e-01 1.L6 CA = 57.915(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8127e-01 1.L6 CB = 43.188(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.4048e-01 1.L6 CG = 27.279(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.5009e-01 1.L6 CD1 = 26.891(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.7212e-01 1.L6 CD2 = 23.462(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.2943e-01 1.L6 H = 8.278(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4113e-01 1.L6 HA = 4.035(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.4426e-01 1.L6 HB2 = 1.931(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.4511e-01 1.L6 HB3 = 1.217(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.9997e-01 1.L6 HG = 1.763(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.4328e-01 1.L6 HD11 = 0.865(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8128e-01 1.L6 HD12 = 0.865(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8128e-01 1.L6 HD13 = 0.865(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8128e-01 1.L6 HD21 = 0.826(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.4062e-01 1.L6 HD22 = 0.826(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.4062e-01 1.L6 HD23 = 0.826(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.4062e-01 1.L6 N = 121.616(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.5011e-01 1.M7 CA = 59.029(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.9054e-01 1.M7 CB = 32.279(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.5093e-01 1.M7 CG = 32.707(D), Expected = 32.01, Std = 1.2400, ChiSquare = 5.7405e-01 1.M7 CE = 17.238(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.1532e-01 1.M7 H = 8.524(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.5994e-01 1.M7 HA = 3.998(D), Expected = 4.41, Std = 0.4800, ChiSquare = 3.9071e-01 1.M7 HB2 = 2.063(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.2268e-01 1.M7 HB3 = 2.147(D), Expected = 1.99, Std = 0.3400, ChiSquare = 6.4425e-01 1.M7 HG2 = 2.617(D), Expected = 2.42, Std = 0.3500, ChiSquare = 5.7353e-01 1.M7 HG3 = 2.560(D), Expected = 2.39, Std = 0.3800, ChiSquare = 6.5461e-01 1.M7 HE1 = 2.021(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.7581e-01 1.M7 HE2 = 2.021(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.7581e-01 1.M7 HE3 = 2.021(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.7581e-01 1.M7 N = 118.417(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.3934e-01 1.Q8 CA = 58.471(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.7437e-01 1.Q8 CB = 27.657(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.9962e-01 1.Q8 CG = 33.152(D), Expected = 33.76, Std = 1.1100, ChiSquare = 5.8387e-01 1.Q8 H = 7.543(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.5119e-01 1.Q8 HA = 4.072(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.5271e-01 1.Q8 HB2 = 2.158(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.6574e-01 1.Q8 HG2 = 2.435(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.7016e-01 1.Q8 HE21 = 7.302(D), Expected = 7.24, Std = 0.4500, ChiSquare = 8.9042e-01 1.Q8 HE22 = 6.802(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.2028e-01 1.Q8 N = 118.959(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.9594e-01 1.Q8 NE2 = 111.315(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.4694e-01 1.Q9 CA = 59.232(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.1353e-01 1.Q9 CB = 28.562(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.3005e-01 1.Q9 CG = 34.204(D), Expected = 33.76, Std = 1.1100, ChiSquare = 6.8916e-01 1.Q9 H = 7.740(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.1590e-01 1.Q9 HA = 4.007(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.5002e-01 1.Q9 HB2 = 2.208(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.2739e-01 1.Q9 HB3 = 2.113(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.3978e-01 1.Q9 HG2 = 2.524(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.4992e-01 1.Q9 HG3 = 2.283(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.8074e-01 1.Q9 HE21 = 7.215(D), Expected = 7.24, Std = 0.4500, ChiSquare = 9.5570e-01 1.Q9 HE22 = 6.705(D), Expected = 7.02, Std = 0.4400, ChiSquare = 4.7405e-01 1.Q9 N = 119.481(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.0955e-01 1.Q9 NE2 = 110.100(D), Expected = 111.87, Std = 1.7200, ChiSquare = 3.0345e-01 1.V10 CA = 67.568(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.5811e-02 1.V10 CB = 31.798(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.0260e-01 1.V10 CG1 = 24.756(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.6329e-02 1.V10 CG2 = 21.136(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.3665e-01 1.V10 H = 8.329(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5358e-01 1.V10 HA = 3.356(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.5045e-01 1.V10 HB = 2.152(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.9092e-01 1.V10 HG11 = 0.956(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2795e-01 1.V10 HG12 = 0.956(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2795e-01 1.V10 HG13 = 0.956(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2795e-01 1.V10 HG21 = 0.802(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9430e-01 1.V10 HG22 = 0.802(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9430e-01 1.V10 HG23 = 0.802(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9430e-01 1.V10 N = 119.502(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.1825e-01 1.K11 CA = 60.248(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.3385e-01 1.K11 CB = 32.314(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.8915e-01 1.K11 CG = 25.155(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.1459e-01 1.K11 CD = 29.514(D), Expected = 28.96, Std = 1.0800, ChiSquare = 6.0798e-01 1.K11 CE = 42.127(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.7256e-01 1.K11 H = 7.603(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.2791e-01 1.K11 HA = 3.832(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.1952e-01 1.K11 HB2 = 1.907(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.1145e-01 1.K11 HG2 = 1.545(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.0090e-01 1.K11 HG3 = 1.288(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.2476e-01 1.K11 HD2 = 1.632(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.2034e-01 1.K11 HE2 = 2.893(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.8700e-01 1.K11 N = 118.665(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.2698e-01 1.V12 CA = 66.337(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7859e-01 1.V12 CB = 32.042(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.0071e-01 1.V12 CG1 = 22.633(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.0066e-01 1.V12 CG2 = 21.004(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.6965e-01 1.V12 H = 7.894(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.5449e-01 1.V12 HA = 3.658(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.5902e-01 1.V12 HB = 2.101(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.0534e-01 1.V12 HG11 = 1.049(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.9962e-01 1.V12 HG12 = 1.049(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.9962e-01 1.V12 HG13 = 1.049(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.9962e-01 1.V12 HG21 = 0.894(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3709e-01 1.V12 HG22 = 0.894(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3709e-01 1.V12 HG23 = 0.894(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3709e-01 1.V12 N = 118.209(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1854e-01 1.L13 CA = 58.420(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8866e-01 1.L13 CB = 43.353(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.7904e-01 1.L13 CG = 27.974(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.7772e-01 1.L13 CD1 = 23.465(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.2993e-01 1.L13 CD2 = 27.675(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.2978e-02 1.L13 H = 8.516(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5994e-01 1.L13 HA = 3.990(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.8260e-01 1.L13 HB2 = 1.249(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.8834e-01 1.L13 HB3 = 2.058(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.3506e-01 1.L13 HG = 1.789(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.9786e-01 1.L13 HD11 = 0.831(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7236e-01 1.L13 HD12 = 0.831(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7236e-01 1.L13 HD13 = 0.831(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7236e-01 1.L13 HD21 = 0.924(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.0352e-01 1.L13 HD22 = 0.924(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.0352e-01 1.L13 HD23 = 0.924(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.0352e-01 1.L13 N = 123.025(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.6516e-01 1.K14 CA = 60.774(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.2179e-02 1.K14 CB = 32.299(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.8267e-01 1.K14 CG = 26.715(D), Expected = 24.89, Std = 1.1300, ChiSquare = 1.0630e-01 1.K14 CD = 29.601(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.5283e-01 1.K14 CE = 41.874(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.8443e-01 1.K14 H = 8.708(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.8795e-01 1.K14 HA = 3.806(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.9163e-01 1.K14 HB2 = 1.899(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.3407e-01 1.K14 HG2 = 1.322(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.5353e-01 1.K14 HD2 = 1.538(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.4346e-01 1.K14 HD3 = 1.582(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.3479e-01 1.K14 HE2 = 2.830(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.3572e-01 1.K14 HE3 = 2.855(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.8332e-01 1.K14 N = 119.105(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.0591e-01 1.L15 CA = 57.945(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7503e-01 1.L15 CB = 41.367(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.1595e-01 1.L15 CG = 26.787(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.9492e-01 1.L15 CD1 = 25.035(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.4296e-01 1.L15 CD2 = 23.476(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.3563e-01 1.L15 H = 7.496(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.5880e-01 1.L15 HA = 4.102(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.4277e-01 1.L15 HB2 = 1.853(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.7479e-01 1.L15 HB3 = 1.638(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.4308e-01 1.L15 HG = 1.752(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.6336e-01 1.L15 HD11 = 0.854(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1032e-01 1.L15 HD12 = 0.854(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1032e-01 1.L15 HD13 = 0.854(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1032e-01 1.L15 HD21 = 0.830(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3022e-01 1.L15 HD22 = 0.830(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3022e-01 1.L15 HD23 = 0.830(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3022e-01 1.L15 N = 120.180(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.6664e-01 1.T16 CA = 67.111(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.8970e-02 1.T16 CB = 68.554(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.7062e-01 1.T16 CG2 = 21.774(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.4007e-01 1.T16 H = 8.059(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.7034e-01 1.T16 HA = 3.940(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.7866e-01 1.T16 HB = 4.428(D), Expected = 4.17, Std = 0.3300, ChiSquare = 4.3432e-01 1.T16 HG21 = 1.264(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.8980e-01 1.T16 HG22 = 1.264(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.8980e-01 1.T16 HG23 = 1.264(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.8980e-01 1.T16 N = 117.992(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.8818e-01 1.V17 CA = 67.586(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.4779e-02 1.V17 CB = 31.899(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.4247e-01 1.V17 CG1 = 24.885(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.2549e-02 1.V17 CG2 = 21.125(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.3104e-01 1.V17 H = 8.427(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.3798e-01 1.V17 HA = 3.351(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.4802e-01 1.V17 HB = 2.173(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.4643e-01 1.V17 HG11 = 0.960(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1707e-01 1.V17 HG12 = 0.960(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1707e-01 1.V17 HG13 = 0.960(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1707e-01 1.V17 HG21 = 0.799(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9715e-01 1.V17 HG22 = 0.799(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9715e-01 1.V17 HG23 = 0.799(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9715e-01 1.V17 N = 121.631(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.1388e-01 1.E18 CA = 59.742(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.4652e-01 1.E18 CB = 29.555(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9137e-01 1.E18 CG = 36.578(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.9411e-01 1.E18 H = 7.595(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1285e-01 1.E18 HA = 4.028(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.8819e-01 1.E18 HB2 = 2.127(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.1038e-01 1.E18 HB3 = 2.057(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.7082e-01 1.E18 HG2 = 2.447(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.9931e-01 1.E18 N = 118.235(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.8411e-01 1.D19 CA = 57.488(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6810e-01 1.D19 CB = 40.395(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.6465e-01 1.D19 H = 8.096(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1215e-01 1.D19 HA = 4.394(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.4021e-01 1.D19 HB2 = 2.821(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.9767e-01 1.D19 HB3 = 2.638(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.3737e-01 1.D19 N = 119.958(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.5772e-01 1.L20 CA = 57.930(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7814e-01 1.L20 CB = 44.282(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.9421e-01 1.L20 CG = 27.630(D), Expected = 26.78, Std = 1.1000, ChiSquare = 4.3968e-01 1.L20 CD1 = 24.162(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.2563e-01 1.L20 CD2 = 28.439(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.8297e-03 1.L20 H = 8.502(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7561e-01 1.L20 HA = 4.120(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7045e-01 1.L20 HB2 = 2.074(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.7235e-01 1.L20 HB3 = 1.232(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.2371e-01 1.L20 HG = 1.861(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.8749e-01 1.L20 HD11 = 0.854(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1032e-01 1.L20 HD12 = 0.854(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1032e-01 1.L20 HD13 = 0.854(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1032e-01 1.L20 HD21 = 0.960(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.2772e-01 1.L20 HD22 = 0.960(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.2772e-01 1.L20 HD23 = 0.960(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.2772e-01 1.L20 N = 122.348(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.0042e-01 1.E21 CA = 60.552(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.2201e-01 1.E21 CB = 29.641(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.3013e-01 1.E21 CG = 38.075(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.8685e-02 1.E21 H = 8.879(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.5211e-01 1.E21 HA = 3.677(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.6224e-01 1.E21 HB2 = 1.909(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.9710e-01 1.E21 HB3 = 2.209(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.4101e-01 1.E21 HG2 = 2.598(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.1831e-01 1.E21 HG3 = 2.023(D), Expected = 2.25, Std = 0.2200, ChiSquare = 3.0216e-01 1.E21 N = 119.905(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2601e-01 1.K22 CA = 59.737(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.0522e-01 1.K22 CB = 32.347(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0346e-01 1.K22 CG = 25.207(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.7907e-01 1.K22 CE = 42.145(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.5582e-01 1.K22 H = 7.517(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.6200e-01 1.K22 HA = 4.042(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.0433e-01 1.K22 HB2 = 1.936(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.3263e-01 1.K22 HB3 = 1.879(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.0668e-01 1.K22 HG2 = 1.368(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.9386e-01 1.K22 HG3 = 1.609(D), Expected = 1.35, Std = 0.2800, ChiSquare = 3.5497e-01 1.K22 HE2 = 2.886(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.5798e-01 1.K22 N = 117.333(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.2416e-01 1.E23 CA = 59.783(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3861e-01 1.E23 CB = 30.548(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.5444e-01 1.E23 CG = 36.428(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.8929e-01 1.E23 H = 7.861(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.2666e-01 1.E23 HA = 3.797(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.6921e-01 1.E23 HB2 = 1.988(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.7889e-01 1.E23 HB3 = 2.006(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.4454e-01 1.E23 HG2 = 2.266(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.8480e-01 1.E23 HG3 = 1.963(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.9205e-01 1.E23 N = 121.471(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.1796e-01 1.R24 CA = 61.212(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.4487e-02 1.R24 CB = 28.814(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.0273e-01 1.R24 CG = 26.482(D), Expected = 27.21, Std = 1.2000, ChiSquare = 5.4407e-01 1.R24 CD = 42.197(D), Expected = 43.16, Std = 0.8800, ChiSquare = 2.7382e-01 1.R24 H = 8.955(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.4114e-01 1.R24 HA = 3.929(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.1994e-01 1.R24 HB2 = 2.341(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.1277e-02 1.R24 HB3 = 1.868(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.9971e-01 1.R24 HG2 = 2.010(D), Expected = 1.57, Std = 0.2700, ChiSquare = 1.0318e-01 1.R24 HG3 = 2.028(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.2422e-02 1.R24 HD2 = 3.326(D), Expected = 3.12, Std = 0.2400, ChiSquare = 3.9071e-01 1.R24 HD3 = 3.264(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.2819e-01 1.R24 N = 118.934(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.1211e-01 1.D25 CA = 57.531(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6166e-01 1.D25 CB = 39.670(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.5512e-01 1.D25 H = 8.790(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.0791e-01 1.D25 HA = 4.454(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.7084e-01 1.D25 HB2 = 2.713(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.7852e-01 1.D25 HB3 = 2.904(D), Expected = 2.66, Std = 0.2800, ChiSquare = 3.8352e-01 1.D25 N = 118.982(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.6565e-01 1.F26 CA = 60.119(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.2755e-01 1.F26 CB = 39.108(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.7302e-01 1.F26 CD1 = 132.354(D), Expected = 131.58, Std = 1.1800, ChiSquare = 5.1187e-01 1.F26 CD2 = 132.354(D), Expected = 131.63, Std = 1.1200, ChiSquare = 5.1800e-01 1.F26 CE1 = 131.052(D), Expected = 130.71, Std = 1.3000, ChiSquare = 7.9249e-01 1.F26 CE2 = 131.052(D), Expected = 130.76, Std = 1.1300, ChiSquare = 7.9609e-01 1.F26 CZ = 129.804(D), Expected = 129.21, Std = 1.4300, ChiSquare = 6.7786e-01 1.F26 H = 8.178(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.0044e-01 1.F26 HA = 4.472(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.8163e-01 1.F26 HB2 = 3.256(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.8901e-01 1.F26 HB3 = 3.093(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.8364e-01 1.F26 HD1 = 7.075(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.6141e-01 1.F26 HD2 = 7.075(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.6141e-01 1.F26 HE1 = 7.327(D), Expected = 7.08, Std = 0.3100, ChiSquare = 4.2558e-01 1.F26 HE2 = 7.327(D), Expected = 7.08, Std = 0.3200, ChiSquare = 4.4019e-01 1.F26 HZ = 7.315(D), Expected = 7.00, Std = 0.4200, ChiSquare = 4.5325e-01 1.F26 N = 124.680(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.1156e-01 1.Y27 CA = 58.715(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.1571e-01 1.Y27 CB = 37.981(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.3532e-01 1.Y27 CD1 = 131.753(D), Expected = 132.77, Std = 1.1700, ChiSquare = 3.8472e-01 1.Y27 CD2 = 131.753(D), Expected = 132.73, Std = 1.3000, ChiSquare = 4.5233e-01 1.Y27 CE1 = 119.169(D), Expected = 117.93, Std = 1.1900, ChiSquare = 2.9779e-01 1.Y27 CE2 = 119.169(D), Expected = 117.90, Std = 1.1800, ChiSquare = 2.8219e-01 1.Y27 H = 8.152(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.1799e-01 1.Y27 HA = 4.299(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.5447e-01 1.Y27 HB2 = 3.275(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.2389e-01 1.Y27 HB3 = 3.202(D), Expected = 2.84, Std = 0.3900, ChiSquare = 3.5330e-01 1.Y27 HD1 = 7.056(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.7449e-01 1.Y27 HD2 = 7.056(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.7449e-01 1.Y27 HE1 = 6.946(D), Expected = 6.70, Std = 0.2300, ChiSquare = 2.8482e-01 1.Y27 HE2 = 6.946(D), Expected = 6.71, Std = 0.2300, ChiSquare = 3.0485e-01 1.Y27 N = 118.459(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.2363e-01 1.F28 CA = 61.689(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.6024e-01 1.F28 CB = 39.235(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.1792e-01 1.F28 CD1 = 131.293(D), Expected = 131.58, Std = 1.1800, ChiSquare = 8.0783e-01 1.F28 CD2 = 131.293(D), Expected = 131.63, Std = 1.1200, ChiSquare = 7.6350e-01 1.F28 CE1 = 130.967(D), Expected = 130.71, Std = 1.3000, ChiSquare = 8.4329e-01 1.F28 CE2 = 130.967(D), Expected = 130.76, Std = 1.1300, ChiSquare = 8.5465e-01 1.F28 CZ = 129.673(D), Expected = 129.21, Std = 1.4300, ChiSquare = 7.4611e-01 1.F28 H = 9.125(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.8801e-01 1.F28 HA = 3.602(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.1309e-02 1.F28 HB2 = 2.967(D), Expected = 3.00, Std = 0.3700, ChiSquare = 9.2893e-01 1.F28 HB3 = 2.927(D), Expected = 2.93, Std = 0.4000, ChiSquare = 9.9402e-01 1.F28 HD1 = 6.694(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.3774e-01 1.F28 HD2 = 6.694(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.3774e-01 1.F28 HE1 = 7.208(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.7968e-01 1.F28 HE2 = 7.208(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.8916e-01 1.F28 HZ = 7.218(D), Expected = 7.00, Std = 0.4200, ChiSquare = 6.0373e-01 1.F28 N = 120.359(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.8263e-01 1.G29 CA = 46.959(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.2985e-01 1.G29 H = 8.429(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7894e-01 1.G29 HA2 = 3.575(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.8572e-01 1.G29 HA3 = 3.873(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.4183e-01 1.G29 N = 105.268(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.5534e-01 1.K30 CA = 60.376(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1941e-01 1.K30 CB = 34.264(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.0762e-01 1.K30 CG = 26.077(D), Expected = 24.89, Std = 1.1300, ChiSquare = 2.9351e-01 1.K30 CD = 31.272(D), Expected = 28.96, Std = 1.0800, ChiSquare = 3.2295e-02 1.K30 CE = 42.428(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.1176e-01 1.K30 H = 7.173(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0075e-02 1.K30 HA = 3.835(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.2284e-01 1.K30 HB2 = 1.209(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.2372e-02 1.K30 HB3 = 2.071(D), Expected = 1.74, Std = 0.2700, ChiSquare = 2.2023e-01 1.K30 HG2 = 1.012(D), Expected = 1.37, Std = 0.2600, ChiSquare = 1.6854e-01 1.K30 HD2 = 1.388(D), Expected = 1.61, Std = 0.2200, ChiSquare = 3.1293e-01 1.K30 HD3 = 1.364(D), Expected = 1.60, Std = 0.2200, ChiSquare = 2.8339e-01 1.K30 HE2 = 2.618(D), Expected = 2.92, Std = 0.1900, ChiSquare = 1.1195e-01 1.K30 HE3 = 2.273(D), Expected = 2.91, Std = 0.2000, ChiSquare = 1.4475e-03 1.K30 N = 120.562(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.9701e-01 1.L31 CA = 58.151(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3473e-01 1.L31 CB = 40.356(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.9864e-01 1.L31 CG = 26.727(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.6157e-01 1.L31 CD1 = 23.619(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.8865e-01 1.L31 CD2 = 26.838(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.0101e-01 1.L31 H = 7.488(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.5365e-01 1.L31 HA = 3.564(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.0772e-01 1.L31 HB2 = 1.110(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.4140e-01 1.L31 HB3 = 1.620(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.8118e-01 1.L31 HG = 1.568(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.6048e-01 1.L31 HD11 = 0.529(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2995e-01 1.L31 HD12 = 0.529(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2995e-01 1.L31 HD13 = 0.529(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2995e-01 1.L31 HD21 = 0.820(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5630e-01 1.L31 HD22 = 0.820(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5630e-01 1.L31 HD23 = 0.820(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5630e-01 1.L31 N = 118.812(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.3449e-01 1.R32 CA = 58.388(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.8366e-01 1.R32 CB = 29.290(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.4101e-01 1.R32 CG = 26.279(D), Expected = 27.21, Std = 1.2000, ChiSquare = 4.3785e-01 1.R32 CD = 42.937(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.9995e-01 1.R32 H = 8.116(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.3892e-01 1.R32 HA = 3.792(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.6944e-01 1.R32 HB2 = 1.476(D), Expected = 1.79, Std = 0.2700, ChiSquare = 2.4484e-01 1.R32 HB3 = 1.648(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.8916e-01 1.R32 HG2 = 1.296(D), Expected = 1.57, Std = 0.2700, ChiSquare = 3.1019e-01 1.R32 HG3 = 1.252(D), Expected = 1.54, Std = 0.2900, ChiSquare = 3.2066e-01 1.R32 HD2 = 3.073(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.4474e-01 1.R32 HD3 = 2.943(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.4595e-01 1.R32 N = 119.261(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.7580e-01 1.N33 CA = 56.184(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.5961e-01 1.N33 CB = 38.518(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.1894e-01 1.N33 H = 7.732(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.3451e-01 1.N33 HA = 4.446(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.3380e-01 1.N33 HB2 = 2.794(D), Expected = 2.81, Std = 0.3100, ChiSquare = 9.5884e-01 1.N33 HB3 = 2.567(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.7921e-01 1.N33 HD21 = 7.269(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.6599e-01 1.N33 HD22 = 6.881(D), Expected = 7.14, Std = 0.4900, ChiSquare = 5.9710e-01 1.N33 N = 118.021(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.2154e-01 1.N33 ND2 = 112.247(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.2154e-01 1.I34 CA = 66.158(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.9694e-02 1.I34 CB = 38.008(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.5814e-01 1.I34 CG2 = 17.770(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.5992e-01 1.I34 CD1 = 13.922(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.6829e-01 1.I34 H = 8.327(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.4490e-01 1.I34 HA = 3.443(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.8815e-01 1.I34 HB = 1.794(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.6150e-01 1.I34 HG21 = 0.695(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.8118e-01 1.I34 HG22 = 0.695(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.8118e-01 1.I34 HG23 = 0.695(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.8118e-01 1.I34 HD11 = 0.538(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2438e-01 1.I34 HD12 = 0.538(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2438e-01 1.I34 HD13 = 0.538(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2438e-01 1.I34 N = 122.295(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.4532e-01 1.E35 CA = 60.299(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5405e-01 1.E35 CB = 30.302(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.6519e-01 1.E35 CG = 35.754(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.6482e-01 1.E35 H = 8.564(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9165e-01 1.E35 HA = 3.510(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.1094e-02 1.E35 HB2 = 2.174(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.6336e-01 1.E35 HG2 = 2.019(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.3199e-01 1.E35 HG3 = 2.169(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.1274e-01 1.E35 N = 122.885(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.2445e-01 1.L36 CA = 58.361(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9814e-01 1.L36 CB = 41.572(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.9465e-01 1.L36 CG = 26.851(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.4854e-01 1.L36 CD1 = 23.281(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.6545e-01 1.L36 CD2 = 24.973(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.8717e-01 1.L36 H = 7.648(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.7058e-01 1.L36 HA = 3.989(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.8127e-01 1.L36 HB2 = 1.805(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.6629e-01 1.L36 HB3 = 1.551(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.3138e-01 1.L36 HG = 1.714(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.3646e-01 1.L36 HD11 = 0.794(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7513e-01 1.L36 HD12 = 0.794(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7513e-01 1.L36 HD13 = 0.794(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7513e-01 1.L36 HD21 = 0.841(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0190e-01 1.L36 HD22 = 0.841(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0190e-01 1.L36 HD23 = 0.841(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0190e-01 1.L36 N = 118.367(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.7044e-01 1.I37 CA = 64.983(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.0818e-01 1.I37 CB = 37.730(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.5593e-01 1.I37 CG1 = 29.086(D), Expected = 27.71, Std = 1.6800, ChiSquare = 4.1276e-01 1.I37 CG2 = 17.827(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.2713e-01 1.I37 CD1 = 14.275(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.1286e-01 1.I37 H = 7.370(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.8082e-01 1.I37 HA = 3.597(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.9784e-01 1.I37 HB = 1.856(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.9327e-01 1.I37 HG12 = 0.989(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.6692e-01 1.I37 HG21 = 0.734(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.9393e-01 1.I37 HG22 = 0.734(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.9393e-01 1.I37 HG23 = 0.734(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.9393e-01 1.I37 HD11 = 0.637(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.8213e-01 1.I37 HD12 = 0.637(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.8213e-01 1.I37 HD13 = 0.637(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.8213e-01 1.I37 N = 119.822(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.0193e-01 1.C38 CA = 64.746(D), Expected = 58.30, Std = 3.3300, ChiSquare = 5.2900e-02 1.C38 CB = 26.337(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.0593e-01 1.C38 H = 8.099(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.6405e-01 1.C38 HA = 3.871(D), Expected = 4.66, Std = 0.5500, ChiSquare = 1.5142e-01 1.C38 HB2 = 2.490(D), Expected = 2.96, Std = 0.4400, ChiSquare = 2.8544e-01 1.C38 HB3 = 2.991(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.2621e-01 1.C38 N = 118.535(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.2456e-01 1.Q39 CA = 58.413(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.8912e-01 1.Q39 CB = 28.493(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.0174e-01 1.Q39 CG = 33.979(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.4359e-01 1.Q39 H = 8.277(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.2304e-01 1.Q39 HA = 4.076(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.5928e-01 1.Q39 HB2 = 2.147(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.9802e-01 1.Q39 HB3 = 2.069(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.6108e-01 1.Q39 HG2 = 2.511(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.7931e-01 1.Q39 HG3 = 2.354(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.2533e-01 1.Q39 HE21 = 7.359(D), Expected = 7.24, Std = 0.4500, ChiSquare = 7.9144e-01 1.Q39 HE22 = 6.611(D), Expected = 7.02, Std = 0.4400, ChiSquare = 3.5261e-01 1.Q39 N = 119.448(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.0228e-01 1.Q39 NE2 = 110.524(D), Expected = 111.87, Std = 1.7200, ChiSquare = 4.3389e-01 1.E40 CA = 58.172(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8353e-01 1.E40 CB = 29.966(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.7959e-01 1.E40 CG = 36.401(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.0681e-01 1.E40 H = 7.948(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1734e-01 1.E40 HA = 4.051(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.2742e-01 1.E40 HB2 = 2.009(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.5823e-01 1.E40 HB3 = 2.093(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.5428e-01 1.E40 HG2 = 2.457(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.7321e-01 1.E40 N = 118.976(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.2641e-01 1.N41 CA = 53.457(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.6479e-01 1.N41 CB = 40.564(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.6748e-01 1.N41 H = 7.345(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.1425e-01 1.N41 HA = 4.811(D), Expected = 4.67, Std = 0.3600, ChiSquare = 6.9530e-01 1.N41 HB2 = 2.812(D), Expected = 2.81, Std = 0.3100, ChiSquare = 9.9485e-01 1.N41 HB3 = 2.323(D), Expected = 2.75, Std = 0.3300, ChiSquare = 1.9569e-01 1.N41 HD21 = 7.728(D), Expected = 7.35, Std = 0.4800, ChiSquare = 4.3099e-01 1.N41 HD22 = 7.121(D), Expected = 7.14, Std = 0.4900, ChiSquare = 9.6907e-01 1.N41 N = 115.527(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.9844e-01 1.N41 ND2 = 116.122(D), Expected = 112.75, Std = 2.2300, ChiSquare = 1.3051e-01 1.E42 CA = 58.326(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.3027e-01 1.E42 CB = 29.517(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.7440e-01 1.E42 CG = 35.842(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.2182e-01 1.E42 H = 7.693(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.8029e-01 1.E42 HA = 4.091(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.9816e-01 1.E42 HB2 = 2.075(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.9339e-01 1.E42 HB3 = 2.026(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.7562e-01 1.E42 HG2 = 2.258(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.5443e-01 1.E42 N = 121.779(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.4997e-01 1.G43 CA = 45.803(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.3532e-01 1.G43 H = 8.625(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.4994e-01 1.G43 HA2 = 3.839(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.2330e-01 1.G43 N = 108.896(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4148e-01 1.E44 CA = 56.450(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.7721e-01 1.E44 CB = 29.606(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.1430e-01 1.E44 CG = 35.804(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.9707e-01 1.E44 H = 7.872(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.3759e-01 1.E44 HA = 4.168(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.4148e-01 1.E44 HB2 = 1.905(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.8395e-01 1.E44 HB3 = 2.077(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.0524e-01 1.E44 HG2 = 2.314(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.3404e-01 1.E44 N = 118.336(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.0242e-01 1.N45 CA = 53.389(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.3598e-01 1.N45 CB = 38.120(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.3591e-01 1.N45 H = 8.229(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.6014e-01 1.N45 HA = 4.465(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.6905e-01 1.N45 HB2 = 2.660(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.2848e-01 1.N45 HB3 = 2.813(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.4860e-01 1.N45 HD21 = 7.467(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.0742e-01 1.N45 HD22 = 6.757(D), Expected = 7.14, Std = 0.4900, ChiSquare = 4.3443e-01 1.N45 N = 117.723(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.6456e-01 1.N45 ND2 = 112.251(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.2294e-01 1.D46 CA = 52.184(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.1702e-01 1.D46 CB = 42.453(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.3155e-01 1.D46 H = 8.338(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6150e-01 1.D46 HA = 4.844(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.2734e-01 1.D46 HB2 = 2.735(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.5399e-01 1.D46 HB3 = 2.564(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.3171e-01 1.D46 N = 122.086(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0988e-01 1.P47 CA = 64.990(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.7479e-01 1.P47 CB = 32.294(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.0672e-01 1.P47 CG = 27.446(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.0011e-01 1.P47 CD = 51.090(D), Expected = 50.32, Std = 0.9900, ChiSquare = 4.3670e-01 1.P47 HA = 4.255(D), Expected = 4.40, Std = 0.3300, ChiSquare = 6.6038e-01 1.P47 HB2 = 2.295(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.3903e-01 1.P47 HB3 = 1.910(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.0259e-01 1.P47 HG2 = 2.017(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.7898e-01 1.P47 HD2 = 3.924(D), Expected = 3.65, Std = 0.3500, ChiSquare = 4.3371e-01 1.P47 HD3 = 3.848(D), Expected = 3.61, Std = 0.3900, ChiSquare = 5.4169e-01 1.V48 CA = 66.340(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7825e-01 1.V48 CB = 31.044(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.4624e-01 1.V48 CG1 = 22.748(D), Expected = 21.49, Std = 1.3600, ChiSquare = 3.5497e-01 1.V48 CG2 = 22.100(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.9026e-01 1.V48 H = 8.036(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.0461e-01 1.V48 HA = 3.549(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.6908e-01 1.V48 HB = 2.112(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.7997e-01 1.V48 HG11 = 0.872(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.7167e-01 1.V48 HG12 = 0.872(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.7167e-01 1.V48 HG13 = 0.872(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.7167e-01 1.V48 HG21 = 0.712(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.5330e-01 1.V48 HG22 = 0.712(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.5330e-01 1.V48 HG23 = 0.712(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.5330e-01 1.V48 N = 119.802(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.6821e-01 1.L49 CA = 57.658(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3866e-01 1.L49 CB = 40.670(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.8302e-01 1.L49 CG = 27.180(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.1613e-01 1.L49 CD1 = 23.416(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.1214e-01 1.L49 CD2 = 25.742(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.1959e-01 1.L49 H = 7.710(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.2371e-01 1.L49 HA = 3.837(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.0411e-01 1.L49 HB2 = 1.794(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.8839e-01 1.L49 HB3 = 1.474(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.9833e-01 1.L49 HG = 1.654(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.6257e-01 1.L49 HD11 = 0.677(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9431e-01 1.L49 HD12 = 0.677(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9431e-01 1.L49 HD13 = 0.677(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9431e-01 1.L49 HD21 = 0.836(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.1473e-01 1.L49 HD22 = 0.836(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.1473e-01 1.L49 HD23 = 0.836(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.1473e-01 1.L49 N = 119.043(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.7011e-01 1.Q50 CA = 58.637(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.3410e-01 1.Q50 CB = 28.072(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.3903e-01 1.Q50 CG = 33.808(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.6551e-01 1.Q50 H = 8.112(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5476e-01 1.Q50 HA = 3.775(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.6059e-01 1.Q50 HB2 = 1.952(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.9506e-01 1.Q50 HB3 = 2.084(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.1920e-01 1.Q50 HG3 = 2.311(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.4227e-01 1.Q50 HE21 = 7.501(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.6191e-01 1.Q50 HE22 = 6.727(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.0547e-01 1.Q50 N = 116.615(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.6297e-01 1.Q50 NE2 = 113.748(D), Expected = 111.87, Std = 1.7200, ChiSquare = 2.7489e-01 1.R51 CA = 59.111(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.1086e-01 1.R51 CB = 30.490(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.0864e-01 1.R51 CG = 27.333(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.1836e-01 1.R51 CD = 44.129(D), Expected = 43.16, Std = 0.8800, ChiSquare = 2.7084e-01 1.R51 H = 7.314(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.2901e-01 1.R51 HA = 4.054(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.9280e-01 1.R51 HB2 = 1.981(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.7931e-01 1.R51 HB3 = 1.907(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.9958e-01 1.R51 HG2 = 1.656(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.5009e-01 1.R51 HD2 = 3.234(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.3479e-01 1.R51 HD3 = 3.043(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.2647e-01 1.R51 N = 117.776(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.1123e-01 1.I52 CA = 66.142(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.0828e-02 1.I52 CB = 37.475(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.6747e-01 1.I52 CG2 = 16.756(D), Expected = 17.53, Std = 1.3600, ChiSquare = 5.6928e-01 1.I52 CD1 = 13.884(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.8573e-01 1.I52 H = 7.474(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.3590e-01 1.I52 HA = 3.387(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.5675e-01 1.I52 HB = 2.056(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.4124e-01 1.I52 HG21 = 0.566(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4992e-01 1.I52 HG22 = 0.566(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4992e-01 1.I52 HG23 = 0.566(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4992e-01 1.I52 HD11 = 0.604(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.9327e-01 1.I52 HD12 = 0.604(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.9327e-01 1.I52 HD13 = 0.604(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.9327e-01 1.I52 N = 120.127(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.5546e-01 1.V53 CA = 67.248(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6185e-02 1.V53 CB = 31.364(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.4539e-01 1.V53 CG1 = 21.848(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.9237e-01 1.V53 CG2 = 23.497(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.5158e-01 1.V53 H = 8.440(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2285e-01 1.V53 HA = 3.284(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.1827e-01 1.V53 HB = 2.064(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.9294e-01 1.V53 HG11 = 0.833(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9079e-01 1.V53 HG12 = 0.833(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9079e-01 1.V53 HG13 = 0.833(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9079e-01 1.V53 HG21 = 0.925(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5529e-01 1.V53 HG22 = 0.925(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5529e-01 1.V53 HG23 = 0.925(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5529e-01 1.V53 N = 121.934(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.6117e-01 1.D54 CA = 57.207(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.1501e-01 1.D54 CB = 40.061(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.1317e-01 1.D54 H = 7.964(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.5081e-01 1.D54 HA = 4.323(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.0407e-01 1.D54 HB2 = 2.551(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.1569e-01 1.D54 HB3 = 2.726(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.1365e-01 1.D54 N = 118.129(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.1369e-01 1.I55 CA = 63.775(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.1919e-01 1.I55 CB = 37.386(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.3800e-01 1.I55 CG1 = 28.686(D), Expected = 27.71, Std = 1.6800, ChiSquare = 5.6127e-01 1.I55 CG2 = 17.756(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.6802e-01 1.I55 CD1 = 13.694(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.7439e-01 1.I55 H = 7.252(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.3059e-01 1.I55 HA = 3.699(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.9038e-01 1.I55 HB = 1.983(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.8393e-01 1.I55 HG12 = 1.189(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.2003e-01 1.I55 HG13 = 1.514(D), Expected = 1.19, Std = 0.4100, ChiSquare = 4.2939e-01 1.I55 HG21 = 0.824(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.4148e-01 1.I55 HG22 = 0.824(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.4148e-01 1.I55 HG23 = 0.824(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.4148e-01 1.I55 HD11 = 0.645(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.0394e-01 1.I55 HD12 = 0.645(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.0394e-01 1.I55 HD13 = 0.645(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.0394e-01 1.I55 N = 119.467(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4146e-01 1.L56 CA = 58.528(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7217e-01 1.L56 CB = 41.429(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.3934e-01 1.L56 CD1 = 25.948(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.3992e-01 1.L56 CD2 = 24.040(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.9531e-01 1.L56 H = 8.324(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8501e-01 1.L56 HA = 3.590(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.2038e-01 1.L56 HB2 = 1.699(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.9350e-01 1.L56 HB3 = 0.902(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.6040e-02 1.L56 HD11 = 0.601(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.9463e-01 1.L56 HD12 = 0.601(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.9463e-01 1.L56 HD13 = 0.601(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.9463e-01 1.L56 HD21 = 0.557(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5081e-01 1.L56 HD22 = 0.557(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5081e-01 1.L56 HD23 = 0.557(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5081e-01 1.L56 N = 120.564(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3966e-01 1.Y57 CA = 56.924(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.3089e-01 1.Y57 CB = 37.580(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.2050e-01 1.Y57 CD1 = 132.463(D), Expected = 132.77, Std = 1.1700, ChiSquare = 7.9302e-01 1.Y57 CD2 = 132.463(D), Expected = 132.73, Std = 1.3000, ChiSquare = 8.3727e-01 1.Y57 CE1 = 117.828(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.3169e-01 1.Y57 CE2 = 117.828(D), Expected = 117.90, Std = 1.1800, ChiSquare = 9.5135e-01 1.Y57 H = 7.770(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.5119e-01 1.Y57 HA = 4.661(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.5585e-01 1.Y57 HB2 = 2.795(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.5594e-01 1.Y57 HB3 = 3.296(D), Expected = 2.84, Std = 0.3900, ChiSquare = 2.4231e-01 1.Y57 HD1 = 7.099(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.7321e-01 1.Y57 HD2 = 7.099(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.7321e-01 1.Y57 HE1 = 6.693(D), Expected = 6.70, Std = 0.2300, ChiSquare = 9.7572e-01 1.Y57 HE2 = 6.693(D), Expected = 6.71, Std = 0.2300, ChiSquare = 9.4108e-01 1.Y57 N = 114.638(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.6137e-01 1.A58 CA = 53.402(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.9473e-01 1.A58 CB = 18.960(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.7820e-01 1.A58 H = 7.292(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.3019e-01 1.A58 HA = 4.354(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.3083e-01 1.A58 HB1 = 1.516(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2317e-01 1.A58 HB2 = 1.516(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2317e-01 1.A58 HB3 = 1.516(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2317e-01 1.A58 N = 124.024(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2253e-01 1.T59 CA = 61.082(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.6038e-01 1.T59 CB = 70.479(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.4587e-01 1.T59 CG2 = 21.633(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.4039e-01 1.T59 H = 8.559(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.0689e-01 1.T59 HA = 4.621(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.3731e-01 1.T59 HB = 4.327(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.3425e-01 1.T59 HG21 = 1.244(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.5114e-01 1.T59 HG22 = 1.244(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.5114e-01 1.T59 HG23 = 1.244(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.5114e-01 1.T59 N = 114.051(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.7319e-01 1.D60 CA = 54.082(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.6455e-01 1.D60 CB = 41.140(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.7249e-01 1.D60 H = 8.331(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7112e-01 1.D60 HA = 4.519(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.2441e-01 1.D60 HB2 = 2.420(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.4856e-01 1.D60 HB3 = 2.274(D), Expected = 2.66, Std = 0.2800, ChiSquare = 1.6803e-01 1.D60 N = 121.459(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.3399e-01 1.E61 CA = 57.029(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.8927e-01 1.E61 CB = 30.070(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.7217e-01 1.E61 CG = 36.288(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.8110e-01 1.E61 H = 8.401(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0421e-01 1.E61 HA = 4.134(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.7723e-01 1.E61 HB2 = 1.823(D), Expected = 2.02, Std = 0.2100, ChiSquare = 3.4820e-01 1.E61 HB3 = 1.968(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.2380e-01 1.E61 HG2 = 2.184(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.8216e-01 1.E61 HG3 = 2.149(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.4617e-01 1.E61 N = 121.695(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.6834e-01 1.G62 CA = 45.305(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7321e-01 1.G62 H = 8.350(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7545e-01 1.G62 HA3 = 3.775(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.3549e-01 1.G62 N = 109.185(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0027e-01 1.F63 CA = 57.598(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.5123e-01 1.F63 CB = 39.713(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.9456e-01 1.F63 CD1 = 131.664(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.4325e-01 1.F63 CD2 = 131.664(D), Expected = 131.63, Std = 1.1200, ChiSquare = 9.7578e-01 1.F63 CE1 = 131.365(D), Expected = 130.71, Std = 1.3000, ChiSquare = 6.1437e-01 1.F63 CE2 = 131.365(D), Expected = 130.76, Std = 1.1300, ChiSquare = 5.9237e-01 1.F63 CZ = 129.640(D), Expected = 129.21, Std = 1.4300, ChiSquare = 7.6364e-01 1.F63 H = 7.851(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.7960e-01 1.F63 HA = 4.527(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.5660e-01 1.F63 HB2 = 2.958(D), Expected = 3.00, Std = 0.3700, ChiSquare = 9.0962e-01 1.F63 HB3 = 2.919(D), Expected = 2.93, Std = 0.4000, ChiSquare = 9.7806e-01 1.F63 HD1 = 7.100(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.9733e-01 1.F63 HD2 = 7.100(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.9733e-01 1.F63 HE1 = 7.224(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.4228e-01 1.F63 HE2 = 7.224(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.5271e-01 1.F63 HZ = 7.178(D), Expected = 7.00, Std = 0.4200, ChiSquare = 6.7170e-01 1.F63 N = 119.994(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.1313e-01 1.V64 CA = 61.738(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.9260e-01 1.V64 CB = 33.146(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.1623e-01 1.V64 CG1 = 21.006(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.2193e-01 1.V64 CG2 = 20.735(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.3646e-01 1.V64 H = 7.899(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.5950e-01 1.V64 HA = 3.960(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.9170e-01 1.V64 HB = 1.817(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.1049e-01 1.V64 HG11 = 0.730(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0052e-01 1.V64 HG12 = 0.730(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0052e-01 1.V64 HG13 = 0.730(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0052e-01 1.V64 HG21 = 0.784(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.5443e-01 1.V64 HG22 = 0.784(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.5443e-01 1.V64 HG23 = 0.784(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.5443e-01 1.V64 N = 123.570(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.9248e-01 1.I65 CA = 58.555(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.5432e-01 1.I65 CB = 38.490(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.4475e-01 1.I65 CG1 = 27.287(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.0121e-01 1.I65 CG2 = 17.039(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.1808e-01 1.I65 CD1 = 12.815(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.1268e-01 1.I65 H = 8.250(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.6481e-01 1.I65 HA = 4.271(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.7091e-01 1.I65 HB = 1.763(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.5325e-01 1.I65 HG12 = 1.473(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.2945e-01 1.I65 HG13 = 1.121(D), Expected = 1.19, Std = 0.4100, ChiSquare = 8.6635e-01 1.I65 HG21 = 0.887(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.6477e-01 1.I65 HG22 = 0.887(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.6477e-01 1.I65 HG23 = 0.887(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.6477e-01 1.I65 HD11 = 0.822(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2438e-01 1.I65 HD12 = 0.822(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2438e-01 1.I65 HD13 = 0.822(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2438e-01 1.I65 N = 127.587(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.5227e-01 1.P66 CA = 63.083(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.7091e-01 1.P66 CB = 32.224(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.5128e-01 1.P66 CG = 27.308(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.9925e-01 1.P66 CD = 51.124(D), Expected = 50.32, Std = 0.9900, ChiSquare = 4.1672e-01 1.P66 HA = 4.291(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.4117e-01 1.P66 HB2 = 1.825(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.6626e-01 1.P66 HB3 = 2.191(D), Expected = 2.00, Std = 0.3600, ChiSquare = 5.9573e-01 1.P66 HG2 = 1.956(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.3316e-01 1.P66 HG3 = 1.890(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.7583e-01 1.P66 HD2 = 3.842(D), Expected = 3.65, Std = 0.3500, ChiSquare = 5.8330e-01 1.P66 HD3 = 3.631(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.5706e-01 1.D67 CA = 54.305(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4958e-01 1.D67 CB = 41.287(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.0163e-01 1.D67 H = 8.295(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7937e-01 1.D67 HA = 4.480(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.3103e-01 1.D67 HB2 = 2.531(D), Expected = 2.72, Std = 0.2600, ChiSquare = 4.6727e-01 1.D67 HB3 = 2.615(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.7232e-01 1.D67 N = 121.048(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.1788e-01 1.E68 CA = 56.714(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.7185e-01 1.E68 CB = 30.264(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.8260e-01 1.E68 CG = 36.159(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.6716e-01 1.E68 H = 8.387(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2304e-01 1.E68 HA = 4.219(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.3973e-01 1.E68 HB2 = 2.029(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.6582e-01 1.E68 HB3 = 1.864(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.8381e-01 1.E68 HG2 = 2.169(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.3055e-01 1.E68 N = 121.776(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.5062e-01 1.G69 CA = 45.404(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6786e-01 1.G69 H = 8.427(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8137e-01 1.G69 HA2 = 3.859(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.6418e-01 1.G69 N = 110.205(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9005e-01 1.G70 CA = 46.026(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.1393e-01 1.G70 H = 7.883(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.9165e-01 1.G70 HA2 = 3.685(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.4114e-01 1.G70 N = 115.135(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.5791e-01