Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 57.292(D) CB :: 63.282(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.147(D) HB2 :: 3.899(D) HB3 :: 3.862(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.K2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.09 C Shift Assignments>> CA :: 57.269(D) CB :: 32.900(D) CG :: 24.554(D) CD :: 29.234(D) CE :: 42.073(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 :: 8.738(D) HA :: 4.231(D) HB2 :: 1.613(D) HB3 :: 1.613(D) HG2 :: 1.166(D) HG3 :: 1.166(D) HD2 :: 1.547(D) HD3 :: 1.547(D) HE2 :: 2.837(D) HE3 :: 2.837(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.14 E 0.14 Q 0.13 H 0.13 K 0.13 C 0.12 R 0.11 M 0.03 I 0.02 C Shift Assignments>> CA :: 57.289(D) CB :: 29.482(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.088(D) HA :: 4.651(D) HB2 :: 3.260(D) HB3 :: 3.178(D) HD1 :: 7.224(D) HE1 :: 10.146(D) HE3 :: 7.559(D) HZ2 :: 7.451(D) HZ3 :: 7.096(D) HH2 :: 7.183(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.143(D) NE1 :: 129.529(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 K 0.26 C 0.24 M 0.08 E 0.06 R 0.02 C Shift Assignments>> CA :: 56.122(D) CB :: 29.595(D) CG :: 33.737(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 :: 8.039(D) HA :: 4.171(D) HB2 :: 1.911(D) HB3 :: 1.816(D) HG2 :: 2.150(D) HG3 :: 2.100(D) HE21 :: 7.438(D) HE22 :: 6.832(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 :: 121.653(D) NE2 :: 112.479(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.14 W 0.11 C 0.11 E 0.1 R 0.1 L 0.03 M 0.03 I 0.01 C Shift Assignments>> CA :: 55.519(D) CB :: 28.795(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.337(D) HA :: 4.560(D) HB2 :: 3.226(D) HB3 :: 3.109(D) HD2 :: 7.231(D) HE1 :: 8.567(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.037(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 K 0.27 C 0.24 E 0.07 M 0.06 R 0.02 C Shift Assignments>> CA :: 56.268(D) CB :: 29.467(D) CG :: 33.756(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 :: 8.446(D) HA :: 4.270(D) HB2 :: 2.072(D) HB3 :: 1.979(D) HG2 :: 2.325(D) HG3 :: 2.325(D) HE21 :: 7.497(D) HE22 :: 6.843(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 :: 121.769(D) NE2 :: 112.336(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 K 0.26 C 0.24 M 0.07 E 0.07 R 0.02 C Shift Assignments>> CA :: 56.273(D) CB :: 29.518(D) CG :: 33.761(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 :: 8.522(D) HA :: 4.277(D) HB2 :: 2.058(D) HB3 :: 1.955(D) HG2 :: 2.309(D) HG3 :: 2.309(D) HE21 :: 7.461(D) HE22 :: 6.843(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 :: 121.541(D) NE2 :: 112.394(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 D 0.3 C 0.12 L 0.11 I 0.01 HN Overlap>> 1.N18 1.N18 C Shift Assignments>> CA :: 54.228(D) CB :: 39.328(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 :: 8.431(D) HA :: 4.645(D) HB2 :: 2.807(D) HB3 :: 2.750(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 :: 121.246(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 59.170(D) CB :: 63.781(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.299(D) HA :: 4.380(D) HB2 :: 3.899(D) HB3 :: 3.849(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.425(D) Ave N Shift Values>> N :: 116.28(3.52) 1.C10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.43 L 0.19 I 0.11 K 0.09 N 0.08 C 0.07 C Shift Assignments>> CB :: 40.899(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.412(D) HA :: 4.651(D) HB2 :: 3.204(D) HB3 :: 3.071(D) 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 :: 120.274(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.47 C 0.39 G 0.07 K 0.05 HN Overlap>> 1.I30 1.I30 C Shift Assignments>> CA :: 56.470(D) CB :: 30.831(D) CG :: 27.251(D) CD :: 43.430(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 :: 8.228(D) HA :: 4.285(D) HB2 :: 1.762(D) HB3 :: 1.858(D) HG2 :: 1.619(D) HG3 :: 1.619(D) HD2 :: 3.179(D) HD3 :: 3.179(D) HE :: 7.213(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.180(D) NE :: 84.706(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.K12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.45 C 0.4 R 0.13 HN Overlap>> 1.E28 1.E28 C Shift Assignments>> CA :: 56.703(D) CB :: 33.036(D) CG :: 25.105 CD :: 29.228(D) CE :: 42.192(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 :: 8.182(D) HA :: 4.235(D) HB2 :: 1.804(D) HB3 :: 1.735(D) HG2 :: 1.417(D) HG3 :: 1.368(D) HD2 :: 1.655(D) HD3 :: 1.655(D) HE2 :: 2.966(D) HE3 :: 2.966(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 :: 121.605(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.31 K 0.27 C 0.23 E 0.08 M 0.06 R 0.02 C Shift Assignments>> CA :: 55.969(D) CB :: 29.382(D) CG :: 33.901(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 :: 8.282(D) HA :: 4.331(D) HB2 :: 2.082(D) HB3 :: 1.968(D) HG2 :: 2.339(D) HG3 :: 2.339(D) HE21 :: 7.498(D) HE22 :: 6.843(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 :: 121.130(D) NE2 :: 112.318(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.63 C 0.28 R 0.06 G 0.02 C Shift Assignments>> CA :: 55.301(D) CB :: 42.512(D) CG :: 27.142(D) CD1 :: 25.122(D) CD2 :: 23.497(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 :: 8.239(D) HA :: 4.355(D) HB2 :: 1.624(D) HB3 :: 1.568(D) HG :: 1.585(D) HD11 :: 0.909(D) HD12 :: 0.909(D) HD13 :: 0.909(D) HD21 :: 0.850(D) HD22 :: 0.850(D) HD23 :: 0.850(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 :: 123.105(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 K 0.26 C 0.24 E 0.08 M 0.06 R 0.02 C Shift Assignments>> CA :: 56.065(D) CB :: 29.460(D) CG :: 33.947(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 :: 8.307(D) HA :: 4.325(D) HB2 :: 2.097(D) HB3 :: 1.988(D) HG2 :: 2.340(D) HG3 :: 2.340(D) HE21 :: 7.487(D) HE22 :: 6.843(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.100(D) NE2 :: 112.319(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.472(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.415(D) HA2 :: 3.860(D) HA3 :: 4.055(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.447(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.66 C 0.33 C Shift Assignments>> CA :: 62.290(D) CB :: 32.873(D) CG1 :: 21.163(D) CG2 :: 20.208(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 :: 7.966(D) HA :: 4.141(D) HB :: 2.093(D) HG11 :: 0.895(D) HG12 :: 0.895(D) HG13 :: 0.895(D) HG21 :: 0.876(D) HG22 :: 0.876(D) HG23 :: 0.876(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 :: 118.338(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.34 L 0.16 C 0.08 K 0.01 HN Overlap>> 1.D8 1.D8 C Shift Assignments>> CA :: 53.584(D) CB :: 40.143(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 :: 8.425(D) HA :: 4.694(D) HB2 :: 2.740(D) HB3 :: 2.829(D) HD21 :: 7.590(D) HD22 :: 6.929(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 :: 121.320(D) ND2 :: 113.140(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.61 C 0.27 R 0.07 G 0.02 C Shift Assignments>> CA :: 55.347(D) CB :: 42.679(D) CG :: 27.042(D) CD1 :: 25.252(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 :: 8.287(D) HA :: 4.378(D) HB2 :: 1.619(D) HB3 :: 1.564(D) HG :: 1.591(D) HD11 :: 0.867(D) HD12 :: 0.867(D) HD13 :: 0.867(D) HD21 :: 0.810(D) HD22 :: 0.810(D) HD23 :: 0.810(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 :: 122.651(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.86 C 0.13 C Shift Assignments>> CA :: 60.850(D) CB :: 69.302(D) CG2 :: 21.740(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 :: 8.147(D) HA :: 4.517(D) HB :: 4.255(D) HG21 :: 1.225(D) HG22 :: 1.225(D) HG23 :: 1.225(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.328(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 64.063(D) CB :: 32.082(D) CG :: 27.721(D) CD :: 50.932(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 :: 4.364(D) HB2 :: 2.291(D) HB3 :: 1.882(D) HG2 :: 1.957(D) HG3 :: 2.039(D) HD2 :: 3.673(D) HD3 :: 3.795(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.C22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.41 L 0.21 K 0.11 I 0.1 N 0.07 C 0.06 C Shift Assignments>> CB :: 40.990(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.381(D) HA :: 4.529(D) HB2 :: 3.177(D) HB3 :: 3.077(D) 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 :: 118.287(D) Ave N Shift Values>> N :: 120.17(4.64) 1.E23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 K 0.27 C 0.25 E 0.07 M 0.06 R 0.03 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> CA :: 56.390(D) CB :: 29.343(D) CG :: 33.755(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 :: 8.275(D) HA :: 4.259(D) HB2 :: 2.042(D) HB3 :: 1.998(D) HG2 :: 2.400(D) HG3 :: 2.400(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 :: 122.333(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.44 C 0.42 R 0.12 C Shift Assignments>> CA :: 57.157(D) CB :: 32.961(D) CG :: 25.055(D) CD :: 29.246(D) CE :: 42.184(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 :: 8.280(D) HA :: 4.173(D) HB2 :: 1.735(D) HB3 :: 1.696(D) HG2 :: 1.397(D) HG3 :: 1.319(D) HD2 :: 1.624(D) HD3 :: 1.624(D) HE2 :: 2.938(D) HE3 :: 2.938(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 :: 121.856(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.13 W 0.12 E 0.11 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> CA :: 56.060 CB :: 28.893(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.422(D) HA :: 4.650(D) HB2 :: 3.232(D) HB3 :: 3.165(D) HD2 :: 7.248(D) HE1 :: 8.595(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.126(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 61.838(D) CB :: 38.712(D) CG1 :: 27.541(D) CG2 :: 17.528(D) CD1 :: 12.944(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 :: 8.126(D) HA :: 4.060(D) HB :: 1.835(D) HG12 :: 1.453(D) HG13 :: 1.159(D) HG21 :: 0.872(D) HG22 :: 0.872(D) HG23 :: 0.872(D) HD11 :: 0.827(D) HD12 :: 0.827(D) HD13 :: 0.827(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 :: 122.042(D) Ave N Shift Values>> N :: 121.46(4.28) 1.M27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.57 C 0.42 C Shift Assignments>> CA :: 55.794(D) CB :: 32.635(D) CG :: 32.085(D) CE :: 16.944(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 :: 8.360(D) HA :: 4.421(D) HB2 :: 2.065(D) HB3 :: 1.998(D) HG2 :: 2.581(D) HG3 :: 2.516(D) HE1 :: 2.060(D) HE2 :: 2.060(D) HE3 :: 2.060(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.544(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 K 0.28 C 0.24 E 0.06 M 0.06 R 0.04 HN Overlap>> 1.K12 1.K12 C Shift Assignments>> CA :: 56.281(D) CB :: 29.250(D) CG :: 33.684(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 :: 8.230(D) HA :: 4.295(D) HB2 :: 2.048(D) HB3 :: 1.968(D) HG2 :: 2.402(D) HG3 :: 2.402(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 :: 121.565(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.46 C 0.41 R 0.11 HN Overlap>> 1.E23 1.E23 C Shift Assignments>> CA :: 56.696(D) CB :: 32.920(D) CG :: 24.909(D) CD :: 29.167(D) CE :: 42.205(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 :: 8.250(D) HA :: 4.263(D) HB2 :: 1.790(D) HB3 :: 1.740(D) HG2 :: 1.416(D) HG3 :: 1.345(D) HD2 :: 1.649(D) HD3 :: 1.649(D) HE2 :: 2.969(D) HE3 :: 2.969(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.411(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.68 C 0.31 HN Overlap>> 1.R11 1.R11 C Shift Assignments>> CA :: 61.327(D) CB :: 38.775(D) CG1 :: 27.423(D) CG2 :: 17.461(D) CD1 :: 12.944(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 :: 8.133(D) HA :: 4.112(D) HB :: 1.816(D) HG12 :: 1.454(D) HG13 :: 1.162(D) HG21 :: 0.867(D) HG22 :: 0.867(D) HG23 :: 0.867(D) HD11 :: 0.823(D) HD12 :: 0.823(D) HD13 :: 0.823(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 :: 122.219(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 K 0.26 C 0.24 E 0.08 M 0.06 R 0.02 C Shift Assignments>> CA :: 56.301(D) CB :: 29.473(D) CG :: 33.892(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 :: 8.449(D) HA :: 4.309(D) HB2 :: 2.082(D) HB3 :: 1.982(D) HG2 :: 2.363(D) HG3 :: 2.363(D) HE21 :: 7.494(D) HE22 :: 6.843(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 :: 124.447(D) NE2 :: 112.322(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.494(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.413(D) HA2 :: 3.956(D) HA3 :: 3.956(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.579(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.48 C 0.37 G 0.07 K 0.06 C Shift Assignments>> CA :: 56.137(D) CB :: 30.913(D) CG :: 27.347(D) CD :: 43.438(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 :: 8.220(D) HA :: 4.365(D) HB2 :: 1.749(D) HB3 :: 1.876(D) HG2 :: 1.608(D) HG3 :: 1.608(D) HD2 :: 3.177(D) HD3 :: 3.177(D) HE :: 7.220(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 :: 120.470(D) NE :: 84.755(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.G34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.410(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.488(D) HA2 :: 3.940(D) HA3 :: 3.940(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.099(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.23 C 0.11 L 0.06 HN Overlap>> 1.D42 1.D42 C Shift Assignments>> CA :: 53.540(D) CB :: 38.924(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 :: 8.306(D) HA :: 4.652(D) HB2 :: 2.861(D) HB3 :: 2.758(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 :: 119.297(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 D 0.33 L 0.11 C 0.09 C Shift Assignments>> CA :: 53.656(D) CB :: 39.609(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 :: 8.417(D) HA :: 4.695(D) HB2 :: 2.859(D) HB3 :: 2.757(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 :: 119.482(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.22 C 0.12 L 0.06 M 0.01 HN Overlap>> 1.D40 1.D41 1.D39 1.D38 1.D40 1.D41 1.D39 1.D38 1.D42 1.D42 C Shift Assignments>> CA :: 53.651(D) CB :: 38.840(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 :: 8.288(D) HA :: 4.649(D) HB2 :: 2.860(D) HB3 :: 2.774(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 :: 119.184(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.22 C 0.12 L 0.06 M 0.01 HN Overlap>> 1.D40 1.D41 1.D39 1.D40 1.D41 1.D39 1.D37 1.D42 1.D37 1.D42 C Shift Assignments>> CA :: 53.651(D) CB :: 38.840(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 :: 8.288(D) HA :: 4.649(D) HB2 :: 2.860(D) HB3 :: 2.774(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 :: 119.184(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.22 C 0.12 L 0.06 M 0.01 HN Overlap>> 1.D40 1.D41 1.D40 1.D41 1.D38 1.D37 1.D42 1.D38 1.D37 1.D42 C Shift Assignments>> CA :: 53.651(D) CB :: 38.840(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 :: 8.288(D) HA :: 4.649(D) HB2 :: 2.860(D) HB3 :: 2.774(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 :: 119.184(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.22 C 0.12 L 0.06 M 0.01 HN Overlap>> 1.D41 1.D39 1.D38 1.D37 1.D42 1.D41 1.D39 1.D38 1.D37 1.D42 C Shift Assignments>> CA :: 53.651(D) CB :: 38.840(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 :: 8.288(D) HA :: 4.649(D) HB2 :: 2.860(D) HB3 :: 2.774(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 :: 119.184(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.22 C 0.12 L 0.06 M 0.01 HN Overlap>> 1.D40 1.D40 1.D39 1.D38 1.D37 1.D42 1.D39 1.D38 1.D37 1.D42 C Shift Assignments>> CA :: 53.651(D) CB :: 38.840(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 :: 8.288(D) HA :: 4.649(D) HB2 :: 2.860(D) HB3 :: 2.774(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 :: 119.184(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.56 D 0.22 C 0.12 L 0.06 M 0.01 HN Overlap>> 1.D40 1.D41 1.D39 1.D38 1.D37 1.D40 1.D41 1.D39 1.D38 1.D37 1.D35 1.D35 C Shift Assignments>> CA :: 53.631(D) CB :: 38.839(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 :: 8.267(D) HA :: 4.717(D) HB2 :: 2.869(D) HB3 :: 2.764(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 :: 119.266(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 N 0.26 D 0.21 L 0.1 I 0.06 E 0.04 M 0.02 C Shift Assignments>> CA :: 55.954 CB :: 38.781(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 :: 7.988(D) HA :: 4.547(D) HB2 :: 2.832(D) HB3 :: 2.795(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 :: 122.617(D) Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 43 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 43 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 43 #Suspicious: 0 C Shift Results: #Consistent: 3 #Duplicate: 121 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 285 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 1 #Duplicate: 50 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S1 CA = 57.292(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.9029e-01 1.S1 CB = 63.282(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.2634e-01 1.S1 HA = 4.147(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.0513e-01 1.S1 HB2 = 3.899(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.3942e-01 1.S1 HB3 = 3.862(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.6455e-01 1.K2 CA = 57.269(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.8471e-01 1.K2 CB = 32.900(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.5072e-01 1.K2 CG = 24.554(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.6620e-01 1.K2 CD = 29.234(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.9972e-01 1.K2 CE = 42.073(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.2340e-01 1.K2 H = 8.738(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.6107e-01 1.K2 HA = 4.231(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2937e-01 1.K2 HB2 = 1.613(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.0413e-01 1.K2 HB3 = 1.613(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.3809e-01 1.K2 HG2 = 1.166(D), Expected = 1.37, Std = 0.2600, ChiSquare = 4.3268e-01 1.K2 HG3 = 1.166(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.1109e-01 1.K2 HD2 = 1.547(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.7460e-01 1.K2 HD3 = 1.547(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.0963e-01 1.K2 HE2 = 2.837(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.6223e-01 1.K2 HE3 = 2.837(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.1511e-01 1.W3 CA = 57.289(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.8566e-01 1.W3 CB = 29.482(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.9279e-01 1.W3 H = 8.088(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.9819e-01 1.W3 HA = 4.651(D), Expected = 4.68, Std = 0.5300, ChiSquare = 9.5636e-01 1.W3 HB2 = 3.260(D), Expected = 3.19, Std = 0.3500, ChiSquare = 8.4148e-01 1.W3 HB3 = 3.178(D), Expected = 3.12, Std = 0.3600, ChiSquare = 8.7201e-01 1.W3 HD1 = 7.224(D), Expected = 7.14, Std = 0.3600, ChiSquare = 8.1550e-01 1.W3 HE1 = 10.146(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.2034e-01 1.W3 HE3 = 7.559(D), Expected = 7.31, Std = 0.4100, ChiSquare = 5.4364e-01 1.W3 HZ2 = 7.451(D), Expected = 7.28, Std = 0.3300, ChiSquare = 6.0433e-01 1.W3 HZ3 = 7.096(D), Expected = 6.86, Std = 0.4000, ChiSquare = 5.5519e-01 1.W3 HH2 = 7.183(D), Expected = 6.98, Std = 0.3900, ChiSquare = 6.0271e-01 1.W3 N = 121.143(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.9778e-01 1.W3 NE1 = 129.529(D), Expected = 129.32, Std = 2.1100, ChiSquare = 9.2110e-01 1.Q4 CA = 56.122(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.3418e-01 1.Q4 CB = 29.595(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.2390e-01 1.Q4 CG = 33.737(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.8347e-01 1.Q4 H = 8.039(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.5901e-01 1.Q4 HA = 4.171(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.2198e-01 1.Q4 HB2 = 1.911(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.7821e-01 1.Q4 HB3 = 1.816(D), Expected = 2.02, Std = 0.2800, ChiSquare = 4.6626e-01 1.Q4 HG2 = 2.150(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.2894e-01 1.Q4 HG3 = 2.100(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.1236e-01 1.Q4 HE21 = 7.438(D), Expected = 7.24, Std = 0.4500, ChiSquare = 6.5994e-01 1.Q4 HE22 = 6.832(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.6918e-01 1.Q4 N = 121.653(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.2433e-01 1.Q4 NE2 = 112.479(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.2329e-01 1.H5 CA = 55.519(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.6477e-01 1.H5 CB = 28.795(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.8514e-01 1.H5 H = 8.337(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.8657e-01 1.H5 HA = 4.560(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.0743e-01 1.H5 HB2 = 3.226(D), Expected = 3.10, Std = 0.3600, ChiSquare = 7.2634e-01 1.H5 HB3 = 3.109(D), Expected = 3.04, Std = 0.3800, ChiSquare = 8.5591e-01 1.H5 HD2 = 7.231(D), Expected = 7.00, Std = 0.4300, ChiSquare = 5.9112e-01 1.H5 HE1 = 8.567(D), Expected = 7.95, Std = 0.4800, ChiSquare = 1.9865e-01 1.H5 N = 119.037(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.7032e-01 1.Q6 CA = 56.268(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.8777e-01 1.Q6 CB = 29.467(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.7903e-01 1.Q6 CG = 33.756(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.9712e-01 1.Q6 H = 8.446(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.0168e-01 1.Q6 HA = 4.270(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.0000e+00 1.Q6 HB2 = 2.072(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.2988e-01 1.Q6 HB3 = 1.979(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.8358e-01 1.Q6 HG2 = 2.325(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.8523e-01 1.Q6 HG3 = 2.325(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.0394e-01 1.Q6 HE21 = 7.497(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.6792e-01 1.Q6 HE22 = 6.843(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.8748e-01 1.Q6 N = 121.769(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.0171e-01 1.Q6 NE2 = 112.336(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.8644e-01 1.Q7 CA = 56.273(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.8962e-01 1.Q7 CB = 29.518(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.5698e-01 1.Q7 CG = 33.761(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.9928e-01 1.Q7 H = 8.522(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.0875e-01 1.Q7 HA = 4.277(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.8731e-01 1.Q7 HB2 = 2.058(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.7447e-01 1.Q7 HB3 = 1.955(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.1643e-01 1.Q7 HG2 = 2.309(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.6750e-01 1.Q7 HG3 = 2.309(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.4776e-01 1.Q7 HE21 = 7.461(D), Expected = 7.24, Std = 0.4500, ChiSquare = 6.2335e-01 1.Q7 HE22 = 6.843(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.8748e-01 1.Q7 N = 121.541(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.4651e-01 1.Q7 NE2 = 112.394(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.6063e-01 1.D8 CA = 54.228(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.1997e-01 1.D8 CB = 39.328(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.3805e-01 1.D8 H = 8.431(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.3474e-01 1.D8 HA = 4.645(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.6354e-01 1.D8 HB2 = 2.807(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.3792e-01 1.D8 HB3 = 2.750(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.4789e-01 1.D8 N = 121.246(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7729e-01 1.S9 CA = 59.170(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.2790e-01 1.S9 CB = 63.781(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.8976e-01 1.S9 H = 8.299(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.7431e-01 1.S9 HA = 4.380(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.0259e-01 1.S9 HB2 = 3.899(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.3942e-01 1.S9 HB3 = 3.849(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.9704e-01 1.S9 N = 116.425(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.6714e-01 1.C10 CB = 40.899(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.6176e-01 1.C10 H = 8.412(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.7381e-01 1.C10 HA = 4.651(D), Expected = 4.66, Std = 0.5500, ChiSquare = 9.8694e-01 1.C10 HB2 = 3.204(D), Expected = 2.96, Std = 0.4400, ChiSquare = 5.7921e-01 1.C10 HB3 = 3.071(D), Expected = 2.89, Std = 0.4600, ChiSquare = 6.9397e-01 1.C10 N = 120.274(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.8212e-01 1.R11 CA = 56.470(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.9667e-01 1.R11 CB = 30.831(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.4293e-01 1.R11 CG = 27.251(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.7274e-01 1.R11 CD = 43.430(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.5898e-01 1.R11 H = 8.228(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.8431e-01 1.R11 HA = 4.285(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.7399e-01 1.R11 HB2 = 1.762(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.1740e-01 1.R11 HB3 = 1.858(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.2634e-01 1.R11 HG2 = 1.619(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.5599e-01 1.R11 HG3 = 1.619(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.8530e-01 1.R11 HD2 = 3.179(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.0581e-01 1.R11 HD3 = 3.179(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.6124e-01 1.R11 HE = 7.213(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.6660e-01 1.R11 N = 122.180(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.0766e-01 1.R11 NE = 84.706(D), Expected = 84.63, Std = 1.6800, ChiSquare = 9.6392e-01 1.K12 CA = 56.703(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.1061e-01 1.K12 CB = 33.036(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.9008e-01 1.K12 CD = 29.228(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.0402e-01 1.K12 CE = 42.192(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.1265e-01 1.K12 H = 8.182(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8936e-01 1.K12 HA = 4.235(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.3660e-01 1.K12 HB2 = 1.804(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.2352e-01 1.K12 HB3 = 1.735(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.8523e-01 1.K12 HG2 = 1.417(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.5655e-01 1.K12 HG3 = 1.368(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.4874e-01 1.K12 HD2 = 1.655(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.3793e-01 1.K12 HD3 = 1.655(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.0259e-01 1.K12 HE2 = 2.966(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.0870e-01 1.K12 HE3 = 2.966(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.7948e-01 1.K12 N = 121.605(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.8296e-01 1.Q13 CA = 55.969(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.7883e-01 1.Q13 CB = 29.382(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.1598e-01 1.Q13 CG = 33.901(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.9892e-01 1.Q13 H = 8.282(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.1631e-01 1.Q13 HA = 4.331(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.8974e-01 1.Q13 HB2 = 2.082(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.9815e-01 1.Q13 HB3 = 1.968(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.5267e-01 1.Q13 HG2 = 2.339(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.4390e-01 1.Q13 HG3 = 2.339(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.6582e-01 1.Q13 HE21 = 7.498(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.6642e-01 1.Q13 HE22 = 6.843(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.8748e-01 1.Q13 N = 121.130(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3051e-01 1.Q13 NE2 = 112.318(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.9450e-01 1.L14 CA = 55.301(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.8095e-01 1.L14 CB = 42.512(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1443e-01 1.L14 CG = 27.142(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.4209e-01 1.L14 CD1 = 25.122(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.0040e-01 1.L14 CD2 = 23.497(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.4496e-01 1.L14 H = 8.239(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8895e-01 1.L14 HA = 4.355(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.4064e-01 1.L14 HB2 = 1.624(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.6716e-01 1.L14 HB3 = 1.568(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.9393e-01 1.L14 HG = 1.585(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.2021e-01 1.L14 HD11 = 0.909(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7013e-01 1.L14 HD12 = 0.909(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7013e-01 1.L14 HD13 = 0.909(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7013e-01 1.L14 HD21 = 0.850(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.7903e-01 1.L14 HD22 = 0.850(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.7903e-01 1.L14 HD23 = 0.850(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.7903e-01 1.L14 N = 123.105(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.4955e-01 1.Q15 CA = 56.065(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.1345e-01 1.Q15 CB = 29.460(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.8207e-01 1.Q15 CG = 33.947(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.6621e-01 1.Q15 H = 8.307(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.8277e-01 1.Q15 HA = 4.325(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.0052e-01 1.Q15 HB2 = 2.097(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.5088e-01 1.Q15 HB3 = 1.988(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.0901e-01 1.Q15 HG2 = 2.340(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.4095e-01 1.Q15 HG3 = 2.340(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.6311e-01 1.Q15 HE21 = 7.487(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.8308e-01 1.Q15 HE22 = 6.843(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.8748e-01 1.Q15 N = 120.100(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.5348e-01 1.Q15 NE2 = 112.319(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.9406e-01 1.G16 CA = 45.472(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2746e-01 1.G16 H = 8.415(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9596e-01 1.G16 HA2 = 3.860(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.6624e-01 1.G16 HA3 = 4.055(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.7528e-01 1.G16 N = 110.447(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4087e-01 1.V17 CA = 62.290(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.4425e-01 1.V17 CB = 32.873(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.3633e-01 1.V17 CG1 = 21.163(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.0999e-01 1.V17 CG2 = 20.208(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.0008e-01 1.V17 H = 7.966(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.2868e-01 1.V17 HA = 4.141(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.3267e-01 1.V17 HB = 2.093(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.2399e-01 1.V17 HG11 = 0.895(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0259e-01 1.V17 HG12 = 0.895(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0259e-01 1.V17 HG13 = 0.895(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0259e-01 1.V17 HG21 = 0.876(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8606e-01 1.V17 HG22 = 0.876(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8606e-01 1.V17 HG23 = 0.876(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8606e-01 1.V17 N = 118.338(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.3712e-01 1.N18 CA = 53.584(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.8133e-01 1.N18 CB = 40.143(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.8992e-01 1.N18 H = 8.425(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.9267e-01 1.N18 HA = 4.694(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.4685e-01 1.N18 HB2 = 2.740(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.2135e-01 1.N18 HB3 = 2.829(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.1080e-01 1.N18 HD21 = 7.590(D), Expected = 7.35, Std = 0.4800, ChiSquare = 6.1707e-01 1.N18 HD22 = 6.929(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.6675e-01 1.N18 N = 121.320(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.5315e-01 1.N18 ND2 = 113.140(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.6117e-01 1.L19 CA = 55.347(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.9802e-01 1.L19 CB = 42.679(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.4439e-01 1.L19 CG = 27.042(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.1174e-01 1.L19 CD1 = 25.252(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.3793e-01 1.L19 CD2 = 23.476(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.3563e-01 1.L19 H = 8.287(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3012e-01 1.L19 HA = 4.378(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.0179e-01 1.L19 HB2 = 1.619(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.7888e-01 1.L19 HB3 = 1.564(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.0272e-01 1.L19 HG = 1.591(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.0610e-01 1.L19 HD11 = 0.867(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7605e-01 1.L19 HD12 = 0.867(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7605e-01 1.L19 HD13 = 0.867(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7605e-01 1.L19 HD21 = 0.810(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8265e-01 1.L19 HD22 = 0.810(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8265e-01 1.L19 HD23 = 0.810(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8265e-01 1.L19 N = 122.651(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.3928e-01 1.T20 CA = 60.850(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.9683e-01 1.T20 CB = 69.302(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.9288e-01 1.T20 CG2 = 21.740(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.6409e-01 1.T20 H = 8.147(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.8076e-01 1.T20 HA = 4.517(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.0547e-01 1.T20 HB = 4.255(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.9673e-01 1.T20 HG21 = 1.225(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.1171e-01 1.T20 HG22 = 1.225(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.1171e-01 1.T20 HG23 = 1.225(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.1171e-01 1.T20 N = 116.328(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.4840e-01 1.P21 CA = 64.063(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.2964e-01 1.P21 CB = 32.082(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.4413e-01 1.P21 CG = 27.721(D), Expected = 27.17, Std = 1.0900, ChiSquare = 6.1320e-01 1.P21 CD = 50.932(D), Expected = 50.32, Std = 0.9900, ChiSquare = 5.3646e-01 1.P21 HA = 4.364(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.1313e-01 1.P21 HB2 = 2.291(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.4660e-01 1.P21 HB3 = 1.882(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.4308e-01 1.P21 HG2 = 1.957(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.3059e-01 1.P21 HG3 = 2.039(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.7360e-01 1.P21 HD2 = 3.673(D), Expected = 3.65, Std = 0.3500, ChiSquare = 9.4761e-01 1.P21 HD3 = 3.795(D), Expected = 3.61, Std = 0.3900, ChiSquare = 6.3524e-01 1.C22 CB = 40.990(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.5727e-01 1.C22 H = 8.381(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.8928e-01 1.C22 HA = 4.529(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.1174e-01 1.C22 HB2 = 3.177(D), Expected = 2.96, Std = 0.4400, ChiSquare = 6.2188e-01 1.C22 HB3 = 3.077(D), Expected = 2.89, Std = 0.4600, ChiSquare = 6.8436e-01 1.C22 N = 118.287(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.8488e-01 1.E23 CA = 56.390(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.5634e-01 1.E23 CB = 29.343(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.9817e-01 1.E23 CG = 33.755(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.7817e-02 1.E23 H = 8.275(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2573e-01 1.E23 HA = 4.259(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.8249e-01 1.E23 HB2 = 2.042(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.1656e-01 1.E23 HB3 = 1.998(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.7225e-01 1.E23 HG2 = 2.400(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.3589e-01 1.E23 HG3 = 2.400(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.9535e-01 1.E23 N = 122.333(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3274e-01 1.K24 CA = 57.157(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.2504e-01 1.K24 CB = 32.961(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.2347e-01 1.K24 CG = 25.055(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.8391e-01 1.K24 CD = 29.246(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.9115e-01 1.K24 CE = 42.184(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.1994e-01 1.K24 H = 8.280(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8076e-01 1.K24 HA = 4.173(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.2552e-01 1.K24 HB2 = 1.735(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.5715e-01 1.K24 HB3 = 1.696(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.7055e-01 1.K24 HG2 = 1.397(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.1729e-01 1.K24 HG3 = 1.319(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.1184e-01 1.K24 HD2 = 1.624(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.4926e-01 1.K24 HD3 = 1.624(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.1313e-01 1.K24 HE2 = 2.938(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.2452e-01 1.K24 HE3 = 2.938(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.8866e-01 1.K24 N = 121.856(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.3071e-01 1.H25 CB = 28.893(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.1522e-01 1.H25 H = 8.422(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.8897e-01 1.H25 HA = 4.650(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.2589e-01 1.H25 HB2 = 3.232(D), Expected = 3.10, Std = 0.3600, ChiSquare = 7.1387e-01 1.H25 HB3 = 3.165(D), Expected = 3.04, Std = 0.3800, ChiSquare = 7.4220e-01 1.H25 HD2 = 7.248(D), Expected = 7.00, Std = 0.4300, ChiSquare = 5.6411e-01 1.H25 HE1 = 8.595(D), Expected = 7.95, Std = 0.4800, ChiSquare = 1.7903e-01 1.H25 N = 119.126(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.8787e-01 1.I26 CA = 61.838(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.3220e-01 1.I26 CB = 38.712(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6762e-01 1.I26 CG1 = 27.541(D), Expected = 27.71, Std = 1.6800, ChiSquare = 9.1987e-01 1.I26 CG2 = 17.528(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.9883e-01 1.I26 CD1 = 12.944(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.7104e-01 1.I26 H = 8.126(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.2084e-01 1.I26 HA = 4.060(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.3032e-01 1.I26 HB = 1.835(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.4958e-01 1.I26 HG12 = 1.453(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.6538e-01 1.I26 HG13 = 1.159(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.3973e-01 1.I26 HG21 = 0.872(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.0560e-01 1.I26 HG22 = 0.872(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.0560e-01 1.I26 HG23 = 0.872(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.0560e-01 1.I26 HD11 = 0.827(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1223e-01 1.I26 HD12 = 0.827(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1223e-01 1.I26 HD13 = 0.827(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1223e-01 1.I26 N = 122.042(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.9184e-01 1.M27 CA = 55.794(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.8731e-01 1.M27 CB = 32.635(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.7408e-01 1.M27 CG = 32.085(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.5177e-01 1.M27 CE = 16.944(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.3644e-01 1.M27 H = 8.360(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.6763e-01 1.M27 HA = 4.421(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.8172e-01 1.M27 HB2 = 2.065(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.1801e-01 1.M27 HB3 = 1.998(D), Expected = 1.99, Std = 0.3400, ChiSquare = 9.8123e-01 1.M27 HG2 = 2.581(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.4552e-01 1.M27 HG3 = 2.516(D), Expected = 2.39, Std = 0.3800, ChiSquare = 7.4021e-01 1.M27 HE1 = 2.060(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.1171e-01 1.M27 HE2 = 2.060(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.1171e-01 1.M27 HE3 = 2.060(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.1171e-01 1.M27 N = 123.544(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.3329e-01 1.E28 CA = 56.281(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.1910e-01 1.E28 CB = 29.250(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.5859e-01 1.E28 CG = 33.684(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.1484e-02 1.E28 H = 8.230(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.6541e-01 1.E28 HA = 4.295(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.1260e-01 1.E28 HB2 = 2.048(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.9393e-01 1.E28 HB3 = 1.968(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.2380e-01 1.E28 HG2 = 2.402(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.2963e-01 1.E28 HG3 = 2.402(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.8962e-01 1.E28 N = 121.565(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9704e-01 1.K29 CA = 56.696(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.0809e-01 1.K29 CB = 32.920(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.4178e-01 1.K29 CG = 24.909(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.8658e-01 1.K29 CD = 29.167(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.4800e-01 1.K29 CE = 42.205(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.0087e-01 1.K29 H = 8.250(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.2034e-01 1.K29 HA = 4.263(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.8731e-01 1.K29 HB2 = 1.790(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.6809e-01 1.K29 HB3 = 1.740(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.0000e+00 1.K29 HG2 = 1.416(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.5957e-01 1.K29 HG3 = 1.345(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.8575e-01 1.K29 HD2 = 1.649(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.5929e-01 1.K29 HD3 = 1.649(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.2375e-01 1.K29 HE2 = 2.969(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.9649e-01 1.K29 HE3 = 2.969(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.6799e-01 1.K29 N = 122.411(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.1809e-01 1.I30 CA = 61.327(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.1590e-01 1.I30 CB = 38.775(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.4278e-01 1.I30 CG1 = 27.423(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.6435e-01 1.I30 CG2 = 17.461(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.5954e-01 1.I30 CD1 = 12.944(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.7104e-01 1.I30 H = 8.133(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.2885e-01 1.I30 HA = 4.112(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.0335e-01 1.I30 HB = 1.816(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.0121e-01 1.I30 HG12 = 1.454(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.6356e-01 1.I30 HG13 = 1.162(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.4555e-01 1.I30 HG21 = 0.867(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1940e-01 1.I30 HG22 = 0.867(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1940e-01 1.I30 HG23 = 0.867(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1940e-01 1.I30 HD11 = 0.823(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2194e-01 1.I30 HD12 = 0.823(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2194e-01 1.I30 HD13 = 0.823(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2194e-01 1.I30 N = 122.219(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5924e-01 1.Q31 CA = 56.301(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.9997e-01 1.Q31 CB = 29.473(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.7643e-01 1.Q31 CG = 33.892(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.0534e-01 1.Q31 H = 8.449(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.9792e-01 1.Q31 HA = 4.309(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2937e-01 1.Q31 HB2 = 2.082(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.9815e-01 1.Q31 HB3 = 1.982(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.9205e-01 1.Q31 HG2 = 2.363(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.7346e-01 1.Q31 HG3 = 2.363(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.0125e-01 1.Q31 HE21 = 7.494(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.7245e-01 1.Q31 HE22 = 6.843(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.8748e-01 1.Q31 N = 124.447(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.0557e-01 1.Q31 NE2 = 112.322(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.9271e-01 1.G32 CA = 45.494(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1442e-01 1.G32 H = 8.413(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9839e-01 1.G32 HA2 = 3.956(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6982e-01 1.G32 HA3 = 3.956(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.7970e-01 1.G32 N = 110.579(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1430e-01 1.R33 CA = 56.137(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.8406e-01 1.R33 CB = 30.913(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.0734e-01 1.R33 CG = 27.347(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.0911e-01 1.R33 CD = 43.438(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.5207e-01 1.R33 H = 8.220(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.7384e-01 1.R33 HA = 4.365(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.8763e-01 1.R33 HB2 = 1.749(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.7930e-01 1.R33 HB3 = 1.876(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.7866e-01 1.R33 HG2 = 1.608(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.8807e-01 1.R33 HG3 = 1.608(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.1461e-01 1.R33 HD2 = 3.177(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.1227e-01 1.R33 HD3 = 3.177(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.6711e-01 1.R33 HE = 7.220(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.7510e-01 1.R33 N = 120.470(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.2855e-01 1.R33 NE = 84.755(D), Expected = 84.63, Std = 1.6800, ChiSquare = 9.4069e-01 1.G34 CA = 45.410(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6429e-01 1.G34 H = 8.488(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0795e-01 1.G34 HA2 = 3.940(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3538e-01 1.G34 HA3 = 3.940(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.1391e-01 1.G34 N = 110.099(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1173e-01 1.D35 CA = 53.540(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.7105e-01 1.D35 CB = 38.924(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.2728e-01 1.D35 H = 8.306(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.9450e-01 1.D35 HA = 4.652(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.4637e-01 1.D35 HB2 = 2.861(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.8761e-01 1.D35 HB3 = 2.758(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.2634e-01 1.D35 N = 119.297(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.2595e-01 1.D36 CA = 53.656(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.1050e-01 1.D36 CB = 39.609(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.3271e-01 1.D36 H = 8.417(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.5363e-01 1.D36 HA = 4.695(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.4282e-01 1.D36 HB2 = 2.859(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.9292e-01 1.D36 HB3 = 2.757(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.2902e-01 1.D36 N = 119.482(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.6220e-01 1.D37 CA = 53.651(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.0877e-01 1.D37 CB = 38.840(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.0794e-01 1.D37 H = 8.288(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6974e-01 1.D37 HA = 4.649(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.5372e-01 1.D37 HB2 = 2.860(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.9026e-01 1.D37 HB3 = 2.774(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.8390e-01 1.D37 N = 119.184(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0410e-01 1.D38 CA = 53.651(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.0877e-01 1.D38 CB = 38.840(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.0794e-01 1.D38 H = 8.288(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6974e-01 1.D38 HA = 4.649(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.5372e-01 1.D38 HB2 = 2.860(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.9026e-01 1.D38 HB3 = 2.774(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.8390e-01 1.D38 N = 119.184(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0410e-01 1.D39 CA = 53.651(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.0877e-01 1.D39 CB = 38.840(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.0794e-01 1.D39 H = 8.288(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6974e-01 1.D39 HA = 4.649(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.5372e-01 1.D39 HB2 = 2.860(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.9026e-01 1.D39 HB3 = 2.774(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.8390e-01 1.D39 N = 119.184(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0410e-01 1.D40 CA = 53.651(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.0877e-01 1.D40 CB = 38.840(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.0794e-01 1.D40 H = 8.288(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6974e-01 1.D40 HA = 4.649(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.5372e-01 1.D40 HB2 = 2.860(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.9026e-01 1.D40 HB3 = 2.774(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.8390e-01 1.D40 N = 119.184(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0410e-01 1.D41 CA = 53.651(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.0877e-01 1.D41 CB = 38.840(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.0794e-01 1.D41 H = 8.288(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6974e-01 1.D41 HA = 4.649(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.5372e-01 1.D41 HB2 = 2.860(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.9026e-01 1.D41 HB3 = 2.774(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.8390e-01 1.D41 N = 119.184(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0410e-01 1.D42 CA = 53.631(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.0190e-01 1.D42 CB = 38.839(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.0771e-01 1.D42 H = 8.267(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.4090e-01 1.D42 HA = 4.717(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.9146e-01 1.D42 HB2 = 2.869(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.6659e-01 1.D42 HB3 = 2.764(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.1032e-01 1.D42 N = 119.266(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.1993e-01 1.D43 CB = 38.781(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.9509e-01 1.D43 H = 7.988(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.7878e-01 1.D43 HA = 4.547(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.9311e-01 1.D43 HB2 = 2.832(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.6664e-01 1.D43 HB3 = 2.795(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.2970e-01 1.D43 N = 122.617(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.1034e-01