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 :: 57.309(D) CB :: 63.259(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.138(D) HB2 :: 3.907(D) HB3 :: 3.864(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 :: 57.238(D) CB :: 32.895(D) CG :: 24.542(D) CD :: 29.207(D) CE :: 42.077(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 :: 8.713(D) HA :: 4.231(D) HB2 :: 1.608(D) HB3 :: 1.608(D) HG2 :: 1.166(D) HG3 :: 1.166(D) HD2 :: 1.543(D) HD3 :: 1.543(D) HE2 :: 2.838(D) HE3 :: 2.838(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 :: 122.007 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 0.12 C 0.12 R 0.11 M 0.03 I 0.02 C Shift Assignments>> CA :: 57.278(D) CB :: 29.505(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 :: 8.078(D) HA :: 4.649(D) HB2 :: 3.253(D) HB3 :: 3.186(D) HD1 :: 7.227(D) HE1 :: 10.152(D) HE3 :: 7.573(D) HZ2 :: 7.463(D) HZ3 :: 7.110(D) HH2 :: 7.191(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 :: 121.246(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 0.25 C 0.24 M 0.09 E 0.07 R 0.01 C Shift Assignments>> CA :: 56.016(D) CB :: 29.723(D) CG :: 33.753(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 :: 8.034(D) HA :: 4.177(D) HB2 :: 1.912(D) HB3 :: 1.812(D) HG2 :: 2.166(D) HG3 :: 2.096(D) HE21 :: 7.438(D) HE22 :: 6.829(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 :: 121.801(D) NE2 :: 112.453(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 M 0.03 L 0.03 I 0.01 HN Overlap>> 1.D40 1.D41 1.H25 1.D39 1.D38 1.D37 1.D42 1.D35 1.D40 1.D41 1.H25 1.D39 1.D38 1.D37 1.D42 1.D35 C Shift Assignments>> CA :: 55.551(D) CB :: 28.891(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 :: 8.345(D) HA :: 4.547(D) HB2 :: 3.214(D) HB3 :: 3.097(D) HD2 :: 7.233(D) HE1 :: 8.563(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 :: 119.217(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 0.25 E 0.07 M 0.06 R 0.03 C Shift Assignments>> CA :: 56.397(D) CB :: 29.380(D) CG :: 33.774(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 :: 8.460(D) HA :: 4.268(D) HB2 :: 2.056(D) HB3 :: 1.966(D) HG2 :: 2.318(D) HG3 :: 2.318(D) HE21 :: 6.848(D) HE22 :: 7.510(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 :: 122.024(D) NE2 :: 112.384(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 0.27 C 0.24 E 0.07 M 0.06 R 0.02 C Shift Assignments>> CA :: 56.273(D) CB :: 29.446(D) CG :: 33.837(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 :: 8.539(D) HA :: 4.285(D) HB2 :: 2.057(D) HB3 :: 1.957(D) HG2 :: 2.314(D) HG3 :: 2.314(D) HE21 :: 7.473(D) HE22 :: 6.837(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 :: 121.791(D) NE2 :: 112.472(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 0.52 D 0.26 C 0.1 L 0.08 C Shift Assignments>> CA :: 53.478(D) CB :: 39.194(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 :: 8.466(D) HA :: 4.635(D) HB2 :: 2.801(D) HB3 :: 2.731(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 :: 121.280(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 :: 58.880(D) CB :: 63.749(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.307(D) HA :: 4.389(D) HB2 :: 3.905(D) HB3 :: 3.841(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 :: 116.371(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>> C 0.17 I 0.14 R 0.13 W 0.12 Q 0.1 K 0.09 E 0.08 H 0.07 L 0.04 C Shift Assignments>> CA :: 58.931(D) CB :: 27.828(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.298(D) HA :: 4.470(D) HB2 :: 2.936(D) HB3 :: 2.936(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 :: 120.682(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 0.38 G 0.07 K 0.05 HN Overlap>> 1.L19 1.L19 C Shift Assignments>> CA :: 56.340(D) CB :: 30.687(D) CG :: 27.321(D) CD :: 43.449(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 :: 8.270(D) HA :: 4.286(D) HB2 :: 1.753(D) HB3 :: 1.830(D) HG2 :: 1.604(D) HG3 :: 1.604(D) HD2 :: 3.168(D) HD3 :: 3.168(D) HE :: 7.184(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 :: 123.185(D) NE :: 84.661(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 0.46 C 0.41 R 0.1 C Shift Assignments>> CA :: 56.680(D) CB :: 33.147(D) CG :: 24.925(D) CD :: 29.176 CE :: 42.151(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 :: 8.273(D) HA :: 4.252(D) HB2 :: 1.789(D) HB3 :: 1.724(D) HG2 :: 1.404(D) HG3 :: 1.404(D) HD2 :: 1.620(D) HD3 :: 1.620(D) HE2 :: 2.952(D) HE3 :: 2.952(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 :: 122.691(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 0.3 K 0.25 C 0.24 E 0.08 M 0.08 R 0.02 C Shift Assignments>> CA :: 56.122(D) CB :: 29.575(D) CG :: 33.883(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 :: 8.381(D) HA :: 4.301(D) HB2 :: 2.066(D) HB3 :: 1.968(D) HG2 :: 2.339(D) HG3 :: 2.339(D) HE21 :: 6.848(D) HE22 :: 7.510(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 :: 121.726(D) NE2 :: 112.384(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 0.64 C 0.28 R 0.05 G 0.01 HN Overlap>> 1.M27 1.M27 C Shift Assignments>> CA :: 55.276(D) CB :: 42.449(D) CG :: 26.978(D) CD1 :: 25.099(D) CD2 :: 23.496(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 :: 8.300(D) HA :: 4.324(D) HB2 :: 1.628(D) HB3 :: 1.550(D) HG :: 1.590(D) HD11 :: 0.879(D) HD12 :: 0.879(D) HD13 :: 0.879(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 :: 123.811(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 0.31 K 0.27 C 0.24 E 0.07 M 0.06 R 0.03 C Shift Assignments>> CA :: 56.049(D) CB :: 29.359(D) CG :: 33.849(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 :: 8.348(D) HA :: 4.328(D) HB2 :: 2.084(D) HB3 :: 1.984(D) HG2 :: 2.354(D) HG3 :: 2.354(D) HE21 :: 6.848(D) HE22 :: 7.510(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 :: 121.002(D) NE2 :: 112.384(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 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.393(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.432(D) HA2 :: 3.933(D) HA3 :: 3.933(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.386(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 :: 62.282(D) CB :: 32.941(D) CG1 :: 21.173(D) CG2 :: 20.379(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 :: 7.925(D) HA :: 4.098(D) HB :: 2.045(D) HG11 :: 0.884(D) HG12 :: 0.884(D) HG13 :: 0.884(D) HG21 :: 0.884(D) HG22 :: 0.884(D) HG23 :: 0.884(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 :: 118.853(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>> N 0.39 D 0.36 L 0.14 C 0.08 C Shift Assignments>> CA :: 53.558(D) CB :: 39.900(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 :: 8.538(D) HA :: 4.702(D) HB2 :: 2.701(D) HB3 :: 2.815(D) HD21 :: 7.570(D) HD22 :: 6.888(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 :: 122.275(D) ND2 :: 112.927(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 0.63 C 0.26 R 0.07 G 0.02 HN Overlap>> 1.R11 1.R11 C Shift Assignments>> CA :: 55.060(D) CB :: 42.633(D) CG :: 27.024(D) CD1 :: 25.274(D) CD2 :: 23.310(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 :: 8.269(D) HA :: 4.396(D) HB2 :: 1.624(D) HB3 :: 1.539(D) HG :: 1.567(D) HD11 :: 0.874(D) HD12 :: 0.874(D) HD13 :: 0.874(D) HD21 :: 0.808(D) HD22 :: 0.808(D) HD23 :: 0.808(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 :: 123.217(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 0.83 C 0.16 C Shift Assignments>> CA :: 60.106(D) CB :: 69.438(D) CG2 :: 21.596(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 :: 8.151(D) HA :: 4.559(D) HB :: 4.250(D) HG21 :: 1.227(D) HG22 :: 1.227(D) HG23 :: 1.227(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 :: 116.699(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 :: 64.021(D) CB :: 32.094(D) CG :: 27.607(D) CD :: 50.970(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 :: 4.348(D) HB2 :: 2.297(D) HB3 :: 1.922(D) HG2 :: 2.064(D) HG3 :: 1.979(D) HD2 :: 3.717(D) HD3 :: 3.826(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>> C 0.18 I 0.18 R 0.13 W 0.11 Q 0.09 K 0.08 E 0.07 H 0.06 L 0.04 C Shift Assignments>> CA :: 59.234(D) CB :: 27.739(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.405(D) HA :: 4.398(D) HB2 :: 2.913(D) HB3 :: 2.913(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 :: 118.645(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 0.29 K 0.27 C 0.25 E 0.06 M 0.06 R 0.03 C Shift Assignments>> CA :: 56.662(D) CB :: 29.398(D) CG :: 33.713(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 :: 8.274(D) HA :: 4.273(D) HB2 :: 2.046(D) HB3 :: 2.004(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 :: 122.817(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 0.45 C 0.42 R 0.1 C Shift Assignments>> CA :: 57.114(D) CB :: 33.012(D) CG :: 25.011(D) CD :: 29.244(D) CE :: 42.088(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 :: 8.294(D) HA :: 4.170(D) HB2 :: 1.739(D) HB3 :: 1.701(D) HG2 :: 1.403(D) HG3 :: 1.320(D) HD2 :: 1.632(D) HD3 :: 1.632(D) HE2 :: 2.939(D) HE3 :: 2.939(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 :: 121.868(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 0.16 H 0.13 W 0.12 C 0.11 E 0.11 R 0.09 M 0.03 L 0.03 I 0.01 HN Overlap>> 1.H5 1.H5 C Shift Assignments>> CA :: 56.113 CB :: 28.815(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 :: 8.442(D) HA :: 4.654(D) HB2 :: 3.248(D) HB3 :: 3.172(D) HD2 :: 7.262(D) HE1 :: 8.608(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 :: 119.257(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 HN Overlap>> 1.I30 1.I30 C Shift Assignments>> CA :: 61.804(D) CB :: 38.712(D) CG1 :: 27.482(D) CG2 :: 17.582(D) CD1 :: 12.869(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 :: 8.140(D) HA :: 4.055(D) HB :: 1.841(D) HG12 :: 1.466(D) HG13 :: 1.154(D) HG21 :: 0.875(D) HG22 :: 0.875(D) HG23 :: 0.875(D) HD11 :: 0.829(D) HD12 :: 0.829(D) HD13 :: 0.829(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 :: 122.274(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 0.56 C 0.43 HN Overlap>> 1.L14 1.L14 C Shift Assignments>> CA :: 55.836(D) CB :: 32.645(D) CG :: 32.109(D) CE :: 16.958(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 :: 8.388(D) HA :: 4.424(D) HB2 :: 2.056(D) HB3 :: 2.011(D) HG2 :: 2.581(D) HG3 :: 2.523(D) HE1 :: 2.065(D) HE2 :: 2.065(D) HE3 :: 2.065(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 :: 123.743(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 0.29 K 0.27 C 0.25 M 0.07 E 0.05 R 0.03 C Shift Assignments>> CA :: 56.529(D) CB :: 29.489(D) CG :: 33.609(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 :: 8.253(D) HA :: 4.290(D) HB2 :: 2.046(D) HB3 :: 1.967(D) HG2 :: 2.415(D) HG3 :: 2.415(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 :: 121.701(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 0.4 R 0.11 C Shift Assignments>> CA :: 56.519(D) CB :: 33.066(D) CG :: 24.938(D) CD :: 29.192(D) CE :: 42.220(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 :: 8.259(D) HA :: 4.264(D) HB2 :: 1.801(D) HB3 :: 1.732(D) HG2 :: 1.435(D) HG3 :: 1.383(D) HD2 :: 1.669(D) HD3 :: 1.669(D) HE2 :: 2.971(D) HE3 :: 2.971(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 :: 122.531(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 0.67 C 0.32 HN Overlap>> 1.I26 1.I26 C Shift Assignments>> CA :: 61.344(D) CB :: 38.801(D) CG1 :: 27.585(D) CG2 :: 17.486(D) CD1 :: 12.969(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 :: 8.143(D) HA :: 4.113(D) HB :: 1.824(D) HG12 :: 1.461(D) HG13 :: 1.163(D) HG21 :: 0.872(D) HG22 :: 0.872(D) HG23 :: 0.872(D) HD11 :: 0.825(D) HD12 :: 0.825(D) HD13 :: 0.825(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 :: 122.319(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 0.07 R 0.02 C Shift Assignments>> CA :: 56.225(D) CB :: 29.533(D) CG :: 33.887(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 :: 8.460(D) HA :: 4.308(D) HB2 :: 2.076(D) HB3 :: 1.996(D) HG2 :: 2.367(D) HG3 :: 2.367(D) HE21 :: 7.512(D) HE22 :: 6.851(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 :: 124.557(D) NE2 :: 112.384(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 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.433(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.419(D) HA2 :: 3.955(D) HA3 :: 3.955(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.608(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 0.38 G 0.07 K 0.06 C Shift Assignments>> CA :: 56.156(D) CB :: 30.969(D) CG :: 27.198(D) CD :: 43.403(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 :: 8.234(D) HA :: 4.362(D) HB2 :: 1.750(D) HB3 :: 1.889(D) HG2 :: 1.618(D) HG3 :: 1.618(D) HD2 :: 3.181(D) HD3 :: 3.181(D) HE :: 7.219(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 :: 120.497(D) NE :: 84.738(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 0.87 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.501(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.492(D) HA2 :: 3.939(D) HA3 :: 3.939(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.102(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 0.59 D 0.2 C 0.11 L 0.05 M 0.01 HN Overlap>> 1.H5 1.D40 1.D41 1.D39 1.D38 1.D37 1.D42 1.H5 1.D40 1.D41 1.D39 1.D38 1.D37 1.D42 C Shift Assignments>> CA :: 53.418(D) CB :: 38.731(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 :: 8.316(D) HA :: 4.649(D) HB2 :: 2.884(D) HB3 :: 2.780(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 :: 119.237(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 0.47 D 0.3 L 0.1 C 0.09 C Shift Assignments>> CA :: 53.544(D) CB :: 39.475(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 :: 8.423(D) HA :: 4.659(D) HB2 :: 2.876(D) HB3 :: 2.767(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 :: 119.447(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 0.58 D 0.19 C 0.12 L 0.05 M 0.01 E 0.01 HN Overlap>> 1.H5 1.D40 1.D41 1.D39 1.D38 1.H5 1.D40 1.D41 1.D39 1.D38 1.D42 1.D35 1.D42 1.D35 C Shift Assignments>> CA :: 53.544(D) CB :: 38.683(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 :: 4.654(D) HB2 :: 2.871(D) HB3 :: 2.785(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 :: 119.137(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 0.58 D 0.19 C 0.12 L 0.05 M 0.01 E 0.01 HN Overlap>> 1.H5 1.D40 1.D41 1.D39 1.H5 1.D40 1.D41 1.D39 1.D37 1.D42 1.D35 1.D37 1.D42 1.D35 C Shift Assignments>> CA :: 53.544(D) CB :: 38.683(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 :: 4.654(D) HB2 :: 2.871(D) HB3 :: 2.785(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 :: 119.137(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 0.58 D 0.19 C 0.12 L 0.05 M 0.01 E 0.01 HN Overlap>> 1.H5 1.D40 1.D41 1.H5 1.D40 1.D41 1.D38 1.D37 1.D42 1.D35 1.D38 1.D37 1.D42 1.D35 C Shift Assignments>> CA :: 53.544(D) CB :: 38.683(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 :: 4.654(D) HB2 :: 2.871(D) HB3 :: 2.785(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 :: 119.137(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 0.58 D 0.19 C 0.12 L 0.05 M 0.01 E 0.01 HN Overlap>> 1.H5 1.H5 1.D41 1.D39 1.D38 1.D37 1.D42 1.D35 1.D41 1.D39 1.D38 1.D37 1.D42 1.D35 C Shift Assignments>> CA :: 53.544(D) CB :: 38.683(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 :: 4.654(D) HB2 :: 2.871(D) HB3 :: 2.785(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 :: 119.137(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 0.58 D 0.19 C 0.12 L 0.05 M 0.01 E 0.01 HN Overlap>> 1.H5 1.D40 1.H5 1.D40 1.D39 1.D38 1.D37 1.D42 1.D35 1.D39 1.D38 1.D37 1.D42 1.D35 C Shift Assignments>> CA :: 53.544(D) CB :: 38.683(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 :: 4.654(D) HB2 :: 2.871(D) HB3 :: 2.785(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 :: 119.137(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 0.58 D 0.19 C 0.12 L 0.05 M 0.01 E 0.01 HN Overlap>> 1.H5 1.D40 1.D41 1.D39 1.D38 1.D37 1.H5 1.D40 1.D41 1.D39 1.D38 1.D37 1.D35 1.D35 C Shift Assignments>> CA :: 53.544(D) CB :: 38.683(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 :: 8.273(D) HA :: 4.719(D) HB2 :: 2.889(D) HB3 :: 2.778(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 :: 119.211(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 0.28 N 0.26 D 0.2 L 0.09 I 0.06 E 0.04 M 0.02 C Shift Assignments>> CA :: 55.967 CB :: 38.710(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 :: 8.000(D) HA :: 4.555(D) HB2 :: 2.840(D) HB3 :: 2.813(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 :: 122.403(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: 123 #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 = 57.309(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.9547e-01 1.S1 CB = 63.259(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.1471e-01 1.S1 HA = 4.138(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.9255e-01 1.S1 HB2 = 3.907(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.1400e-01 1.S1 HB3 = 3.864(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.5865e-01 1.K2 CA = 57.238(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.9585e-01 1.K2 CB = 32.895(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.5296e-01 1.K2 CG = 24.542(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.5811e-01 1.K2 CD = 29.207(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.1910e-01 1.K2 CE = 42.077(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.1961e-01 1.K2 H = 8.713(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.8339e-01 1.K2 HA = 4.231(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2937e-01 1.K2 HB2 = 1.608(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.9145e-01 1.K2 HB3 = 1.608(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.2492e-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 = 1.543(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.6071e-01 1.K2 HD3 = 1.543(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.9556e-01 1.K2 HE2 = 2.838(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.6605e-01 1.K2 HE3 = 2.838(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.1885e-01 1.W3 CA = 57.278(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.8229e-01 1.W3 CB = 29.505(D), Expected = 30.01, Std = 2.0100, ChiSquare = 8.0163e-01 1.W3 H = 8.078(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.8843e-01 1.W3 HA = 4.649(D), Expected = 4.68, Std = 0.5300, ChiSquare = 9.5336e-01 1.W3 HB2 = 3.253(D), Expected = 3.19, Std = 0.3500, ChiSquare = 8.5715e-01 1.W3 HB3 = 3.186(D), Expected = 3.12, Std = 0.3600, ChiSquare = 8.5454e-01 1.W3 HD1 = 7.227(D), Expected = 7.14, Std = 0.3600, ChiSquare = 8.0904e-01 1.W3 HE1 = 10.152(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.1313e-01 1.W3 HE3 = 7.573(D), Expected = 7.31, Std = 0.4100, ChiSquare = 5.2122e-01 1.W3 HZ2 = 7.463(D), Expected = 7.28, Std = 0.3300, ChiSquare = 5.7921e-01 1.W3 HZ3 = 7.110(D), Expected = 6.86, Std = 0.4000, ChiSquare = 5.3197e-01 1.W3 HH2 = 7.191(D), Expected = 6.98, Std = 0.3900, ChiSquare = 5.8849e-01 1.W3 N = 121.246(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.1731e-01 1.W3 NE1 = 129.529(D), Expected = 129.32, Std = 2.1100, ChiSquare = 9.2110e-01 1.Q4 CA = 56.016(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.9573e-01 1.Q4 CB = 29.723(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.6963e-01 1.Q4 CG = 33.753(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.9497e-01 1.Q4 H = 8.034(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.5257e-01 1.Q4 HA = 4.177(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.3260e-01 1.Q4 HB2 = 1.912(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.8095e-01 1.Q4 HB3 = 1.812(D), Expected = 2.02, Std = 0.2800, ChiSquare = 4.5757e-01 1.Q4 HG2 = 2.166(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.6843e-01 1.Q4 HG3 = 2.096(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.0352e-01 1.Q4 HE21 = 7.438(D), Expected = 7.24, Std = 0.4500, ChiSquare = 6.5994e-01 1.Q4 HE22 = 6.829(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.6422e-01 1.Q4 N = 121.801(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.9553e-01 1.Q4 NE2 = 112.453(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.3464e-01 1.H5 CA = 55.551(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.7486e-01 1.H5 CB = 28.891(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.1460e-01 1.H5 H = 8.345(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.7729e-01 1.H5 HA = 4.547(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.8352e-01 1.H5 HB2 = 3.214(D), Expected = 3.10, Std = 0.3600, ChiSquare = 7.5150e-01 1.H5 HB3 = 3.097(D), Expected = 3.04, Std = 0.3800, ChiSquare = 8.8076e-01 1.H5 HD2 = 7.233(D), Expected = 7.00, Std = 0.4300, ChiSquare = 5.8791e-01 1.H5 HE1 = 8.563(D), Expected = 7.95, Std = 0.4800, ChiSquare = 2.0157e-01 1.H5 N = 119.217(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.0587e-01 1.Q6 CA = 56.397(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.3557e-01 1.Q6 CB = 29.380(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.1686e-01 1.Q6 CG = 33.774(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.8994e-01 1.Q6 H = 8.460(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.8417e-01 1.Q6 HA = 4.268(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.9637e-01 1.Q6 HB2 = 2.056(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.8085e-01 1.Q6 HB3 = 1.966(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.4707e-01 1.Q6 HG2 = 2.318(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.9409e-01 1.Q6 HG3 = 2.318(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.2308e-01 1.Q6 HE21 = 6.848(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.8369e-01 1.Q6 HE22 = 7.510(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.6544e-01 1.Q6 N = 122.024(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.5333e-01 1.Q6 NE2 = 112.384(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.6506e-01 1.Q7 CA = 56.273(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.8962e-01 1.Q7 CB = 29.446(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.8814e-01 1.Q7 CG = 33.837(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.4470e-01 1.Q7 H = 8.539(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.8873e-01 1.Q7 HA = 4.285(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.7280e-01 1.Q7 HB2 = 2.057(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.7766e-01 1.Q7 HB3 = 1.957(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.2198e-01 1.Q7 HG2 = 2.314(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.8227e-01 1.Q7 HG3 = 2.314(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.3404e-01 1.Q7 HE21 = 7.473(D), Expected = 7.24, Std = 0.4500, ChiSquare = 6.0461e-01 1.Q7 HE22 = 6.837(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.7748e-01 1.Q7 N = 121.791(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.9746e-01 1.Q7 NE2 = 112.472(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.2634e-01 1.D8 CA = 53.478(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.5048e-01 1.D8 CB = 39.194(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.9800e-01 1.D8 H = 8.466(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.8796e-01 1.D8 HA = 4.635(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.8817e-01 1.D8 HB2 = 2.801(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.5539e-01 1.D8 HB3 = 2.731(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.9983e-01 1.D8 N = 121.280(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7035e-01 1.S9 CA = 58.880(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3839e-01 1.S9 CB = 63.749(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.7251e-01 1.S9 H = 8.307(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.6350e-01 1.S9 HA = 4.389(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.2003e-01 1.S9 HB2 = 3.905(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.2034e-01 1.S9 HB3 = 3.841(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.7341e-01 1.S9 N = 116.371(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.7938e-01 1.C10 CA = 58.931(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.4971e-01 1.C10 CB = 27.828(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.3792e-01 1.C10 H = 8.298(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.9078e-01 1.C10 HA = 4.470(D), Expected = 4.66, Std = 0.5500, ChiSquare = 7.2975e-01 1.C10 HB2 = 2.936(D), Expected = 2.96, Std = 0.4400, ChiSquare = 9.5650e-01 1.C10 HB3 = 2.936(D), Expected = 2.89, Std = 0.4600, ChiSquare = 9.2034e-01 1.C10 N = 120.682(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.1214e-01 1.R11 CA = 56.340(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.5233e-01 1.R11 CB = 30.687(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.9433e-01 1.R11 CG = 27.321(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.2630e-01 1.R11 CD = 43.449(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.4260e-01 1.R11 H = 8.270(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.6078e-01 1.R11 HA = 4.286(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.7572e-01 1.R11 HB2 = 1.753(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.9100e-01 1.R11 HB3 = 1.830(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.0259e-01 1.R11 HG2 = 1.604(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.9979e-01 1.R11 HG3 = 1.604(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.2533e-01 1.R11 HD2 = 3.168(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.4148e-01 1.R11 HD3 = 3.168(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.9368e-01 1.R11 HE = 7.184(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.3171e-01 1.R11 N = 123.185(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.1692e-01 1.R11 NE = 84.661(D), Expected = 84.63, Std = 1.6800, ChiSquare = 9.8528e-01 1.K12 CA = 56.680(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.0232e-01 1.K12 CB = 33.147(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.4104e-01 1.K12 CG = 24.925(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.7529e-01 1.K12 CE = 42.151(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.5026e-01 1.K12 H = 8.273(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8998e-01 1.K12 HA = 4.252(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.6737e-01 1.K12 HB2 = 1.789(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.7128e-01 1.K12 HB3 = 1.724(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.5275e-01 1.K12 HG2 = 1.404(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.9596e-01 1.K12 HG3 = 1.404(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.4707e-01 1.K12 HD2 = 1.620(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.6375e-01 1.K12 HD3 = 1.620(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.2757e-01 1.K12 HE2 = 2.952(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.6625e-01 1.K12 HE3 = 2.952(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.3367e-01 1.K12 N = 122.691(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.6336e-01 1.Q13 CA = 56.122(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.3418e-01 1.Q13 CB = 29.575(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.3247e-01 1.Q13 CG = 33.883(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.1177e-01 1.Q13 H = 8.381(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.8494e-01 1.Q13 HA = 4.301(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4383e-01 1.Q13 HB2 = 2.066(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.4897e-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 = 6.848(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.8369e-01 1.Q13 HE22 = 7.510(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.6544e-01 1.Q13 N = 121.726(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.1005e-01 1.Q13 NE2 = 112.384(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.6506e-01 1.L14 CA = 55.276(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.7170e-01 1.L14 CB = 42.449(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.4106e-01 1.L14 CG = 26.978(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.5715e-01 1.L14 CD1 = 25.099(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.1160e-01 1.L14 CD2 = 23.496(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.4451e-01 1.L14 H = 8.300(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.1424e-01 1.L14 HA = 4.324(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.9321e-01 1.L14 HB2 = 1.628(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.5778e-01 1.L14 HB3 = 1.550(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.3359e-01 1.L14 HG = 1.590(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.0845e-01 1.L14 HD11 = 0.879(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4500e-01 1.L14 HD12 = 0.879(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4500e-01 1.L14 HD13 = 0.879(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4500e-01 1.L14 HD21 = 0.841(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0190e-01 1.L14 HD22 = 0.841(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0190e-01 1.L14 HD23 = 0.841(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0190e-01 1.L14 N = 123.811(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1689e-01 1.Q15 CA = 56.049(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.0765e-01 1.Q15 CB = 29.359(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.2602e-01 1.Q15 CG = 33.849(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.3609e-01 1.Q15 H = 8.348(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.2825e-01 1.Q15 HA = 4.328(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.9513e-01 1.Q15 HB2 = 2.084(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.9182e-01 1.Q15 HB3 = 1.984(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.9770e-01 1.Q15 HG2 = 2.354(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.9979e-01 1.Q15 HG3 = 2.354(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.2533e-01 1.Q15 HE21 = 6.848(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.8369e-01 1.Q15 HE22 = 7.510(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.6544e-01 1.Q15 N = 121.002(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.5741e-01 1.Q15 NE2 = 112.384(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.6506e-01 1.G16 CA = 45.393(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7440e-01 1.G16 H = 8.432(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7531e-01 1.G16 HA2 = 3.933(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.2034e-01 1.G16 HA3 = 3.933(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.2893e-01 1.G16 N = 110.386(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5322e-01 1.V17 CA = 62.282(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.4202e-01 1.V17 CB = 32.941(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.0617e-01 1.V17 CG1 = 21.173(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.1569e-01 1.V17 CG2 = 20.379(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.7225e-01 1.V17 H = 7.925(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.8591e-01 1.V17 HA = 4.098(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.7397e-01 1.V17 HB = 2.045(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.3904e-01 1.V17 HG11 = 0.884(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.3547e-01 1.V17 HG12 = 0.884(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.3547e-01 1.V17 HG13 = 0.884(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.3547e-01 1.V17 HG21 = 0.884(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.6418e-01 1.V17 HG22 = 0.884(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.6418e-01 1.V17 HG23 = 0.884(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.6418e-01 1.V17 N = 118.853(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.1444e-01 1.N18 CA = 53.558(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.9236e-01 1.N18 CB = 39.900(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.7401e-01 1.N18 H = 8.538(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.5330e-01 1.N18 HA = 4.702(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.2917e-01 1.N18 HB2 = 2.701(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.2513e-01 1.N18 HB3 = 2.815(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.4385e-01 1.N18 HD21 = 7.570(D), Expected = 7.35, Std = 0.4800, ChiSquare = 6.4671e-01 1.N18 HD22 = 6.888(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.0705e-01 1.N18 N = 122.275(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.0653e-01 1.N18 ND2 = 112.927(D), Expected = 112.75, Std = 2.2300, ChiSquare = 9.3674e-01 1.L19 CA = 55.060(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9262e-01 1.L19 CB = 42.633(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.6359e-01 1.L19 CG = 27.024(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.2446e-01 1.L19 CD1 = 25.274(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.2752e-01 1.L19 CD2 = 23.310(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.6335e-01 1.L19 H = 8.269(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5216e-01 1.L19 HA = 4.396(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.7154e-01 1.L19 HB2 = 1.624(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.6716e-01 1.L19 HB3 = 1.539(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.5791e-01 1.L19 HG = 1.567(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.6287e-01 1.L19 HD11 = 0.874(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5787e-01 1.L19 HD12 = 0.874(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5787e-01 1.L19 HD13 = 0.874(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.5787e-01 1.L19 HD21 = 0.808(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8796e-01 1.L19 HD22 = 0.808(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8796e-01 1.L19 HD23 = 0.808(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8796e-01 1.L19 N = 123.217(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2788e-01 1.T20 CA = 60.106(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.1438e-01 1.T20 CB = 69.438(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.5783e-01 1.T20 CG2 = 21.596(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.6694e-01 1.T20 H = 8.151(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.8586e-01 1.T20 HA = 4.559(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.3660e-01 1.T20 HB = 4.250(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.0845e-01 1.T20 HG21 = 1.227(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.0524e-01 1.T20 HG22 = 1.227(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.0524e-01 1.T20 HG23 = 1.227(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.0524e-01 1.T20 N = 116.699(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.8773e-01 1.P21 CA = 64.021(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.4939e-01 1.P21 CB = 32.094(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.3618e-01 1.P21 CG = 27.607(D), Expected = 27.17, Std = 1.0900, ChiSquare = 6.8848e-01 1.P21 CD = 50.970(D), Expected = 50.32, Std = 0.9900, ChiSquare = 5.1146e-01 1.P21 HA = 4.348(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.7479e-01 1.P21 HB2 = 2.297(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.3526e-01 1.P21 HB3 = 1.922(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.2847e-01 1.P21 HG2 = 2.064(D), Expected = 1.93, Std = 0.3100, ChiSquare = 6.6555e-01 1.P21 HG3 = 1.979(D), Expected = 1.90, Std = 0.3300, ChiSquare = 8.1080e-01 1.P21 HD2 = 3.717(D), Expected = 3.65, Std = 0.3500, ChiSquare = 8.4819e-01 1.P21 HD3 = 3.826(D), Expected = 3.61, Std = 0.3900, ChiSquare = 5.7968e-01 1.C22 CA = 59.234(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.7911e-01 1.C22 CB = 27.739(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.2923e-01 1.C22 H = 8.405(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.8214e-01 1.C22 HA = 4.398(D), Expected = 4.66, Std = 0.5500, ChiSquare = 6.3382e-01 1.C22 HB2 = 2.913(D), Expected = 2.96, Std = 0.4400, ChiSquare = 9.1493e-01 1.C22 HB3 = 2.913(D), Expected = 2.89, Std = 0.4600, ChiSquare = 9.6012e-01 1.C22 N = 118.645(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.4241e-01 1.E23 CA = 56.662(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.5289e-01 1.E23 CB = 29.398(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.2198e-01 1.E23 CG = 33.713(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.3980e-02 1.E23 H = 8.274(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2438e-01 1.E23 HA = 4.273(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.5526e-01 1.E23 HB2 = 2.046(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.0147e-01 1.E23 HB3 = 2.004(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.5146e-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 = 122.817(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3727e-01 1.K24 CA = 57.114(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.4058e-01 1.K24 CB = 33.012(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.0075e-01 1.K24 CG = 25.011(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.1473e-01 1.K24 CD = 29.244(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.9258e-01 1.K24 CE = 42.088(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.0920e-01 1.K24 H = 8.294(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.6239e-01 1.K24 HA = 4.170(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.2021e-01 1.K24 HB2 = 1.739(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.6973e-01 1.K24 HB3 = 1.701(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.8515e-01 1.K24 HG2 = 1.403(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.9900e-01 1.K24 HG3 = 1.320(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.1468e-01 1.K24 HD2 = 1.632(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.2034e-01 1.K24 HD3 = 1.632(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.8435e-01 1.K24 HE2 = 2.939(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.2034e-01 1.K24 HE3 = 2.939(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.8471e-01 1.K24 N = 121.868(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2823e-01 1.H25 CB = 28.815(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.9120e-01 1.H25 H = 8.442(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.6642e-01 1.H25 HA = 4.654(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.1850e-01 1.H25 HB2 = 3.248(D), Expected = 3.10, Std = 0.3600, ChiSquare = 6.8099e-01 1.H25 HB3 = 3.172(D), Expected = 3.04, Std = 0.3800, ChiSquare = 7.2831e-01 1.H25 HD2 = 7.262(D), Expected = 7.00, Std = 0.4300, ChiSquare = 5.4232e-01 1.H25 HE1 = 8.608(D), Expected = 7.95, Std = 0.4800, ChiSquare = 1.7043e-01 1.H25 N = 119.257(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.1380e-01 1.I26 CA = 61.804(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.4229e-01 1.I26 CB = 38.712(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6762e-01 1.I26 CG1 = 27.482(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.9205e-01 1.I26 CG2 = 17.582(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.6950e-01 1.I26 CD1 = 12.869(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.3692e-01 1.I26 H = 8.140(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.3688e-01 1.I26 HA = 4.055(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.2337e-01 1.I26 HB = 1.841(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.3340e-01 1.I26 HG12 = 1.466(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.4193e-01 1.I26 HG13 = 1.154(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.3003e-01 1.I26 HG21 = 0.875(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.9736e-01 1.I26 HG22 = 0.875(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.9736e-01 1.I26 HG23 = 0.875(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.9736e-01 1.I26 HD11 = 0.829(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0740e-01 1.I26 HD12 = 0.829(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0740e-01 1.I26 HD13 = 0.829(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0740e-01 1.I26 N = 122.274(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.4916e-01 1.M27 CA = 55.836(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.0221e-01 1.M27 CB = 32.645(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.7760e-01 1.M27 CG = 32.109(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.3637e-01 1.M27 CE = 16.958(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.4349e-01 1.M27 H = 8.388(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.3107e-01 1.M27 HA = 4.424(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.7673e-01 1.M27 HB2 = 2.056(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.3904e-01 1.M27 HB3 = 2.011(D), Expected = 1.99, Std = 0.3400, ChiSquare = 9.5075e-01 1.M27 HG2 = 2.581(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.4552e-01 1.M27 HG3 = 2.523(D), Expected = 2.39, Std = 0.3800, ChiSquare = 7.2634e-01 1.M27 HE1 = 2.065(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.0362e-01 1.M27 HE2 = 2.065(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.0362e-01 1.M27 HE3 = 2.065(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.0362e-01 1.M27 N = 123.743(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.0619e-01 1.E28 CA = 56.529(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.0508e-01 1.E28 CB = 29.489(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.6196e-01 1.E28 CG = 33.609(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.5581e-02 1.E28 H = 8.253(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.9616e-01 1.E28 HA = 4.290(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.2228e-01 1.E28 HB2 = 2.046(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.0147e-01 1.E28 HB3 = 1.967(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.2034e-01 1.E28 HG2 = 2.415(D), Expected = 2.27, Std = 0.2100, ChiSquare = 4.8989e-01 1.E28 HG3 = 2.415(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.5325e-01 1.E28 N = 121.701(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.6703e-01 1.K29 CA = 56.519(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.4468e-01 1.K29 CB = 33.066(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7678e-01 1.K29 CG = 24.938(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.6612e-01 1.K29 CD = 29.192(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.2991e-01 1.K29 CE = 42.220(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.8736e-01 1.K29 H = 8.259(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0845e-01 1.K29 HA = 4.264(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.8912e-01 1.K29 HB2 = 1.801(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.3306e-01 1.K29 HB3 = 1.732(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.7636e-01 1.K29 HG2 = 1.435(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.0259e-01 1.K29 HG3 = 1.383(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.0618e-01 1.K29 HD2 = 1.669(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.8856e-01 1.K29 HD3 = 1.669(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.5380e-01 1.K29 HE2 = 2.971(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.8838e-01 1.K29 HE3 = 2.971(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.6037e-01 1.K29 N = 122.531(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.9444e-01 1.I30 CA = 61.344(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.2094e-01 1.I30 CB = 38.801(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.3254e-01 1.I30 CG1 = 27.585(D), Expected = 27.71, Std = 1.6800, ChiSquare = 9.4069e-01 1.I30 CG2 = 17.486(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.7419e-01 1.I30 CD1 = 12.969(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.8251e-01 1.I30 H = 8.143(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.4033e-01 1.I30 HA = 4.113(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.0477e-01 1.I30 HB = 1.824(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.7940e-01 1.I30 HG12 = 1.461(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.5091e-01 1.I30 HG13 = 1.163(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.4749e-01 1.I30 HG21 = 0.872(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.0560e-01 1.I30 HG22 = 0.872(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.0560e-01 1.I30 HG23 = 0.872(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.0560e-01 1.I30 HD11 = 0.825(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1707e-01 1.I30 HD12 = 0.825(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1707e-01 1.I30 HD13 = 0.825(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1707e-01 1.I30 N = 122.319(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.4093e-01 1.Q31 CA = 56.225(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.7192e-01 1.Q31 CB = 29.533(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.5051e-01 1.Q31 CG = 33.887(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.0891e-01 1.Q31 H = 8.460(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.8417e-01 1.Q31 HA = 4.308(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.3118e-01 1.Q31 HB2 = 2.076(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.1717e-01 1.Q31 HB3 = 1.996(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.3169e-01 1.Q31 HG2 = 2.367(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.6181e-01 1.Q31 HG3 = 2.367(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.9061e-01 1.Q31 HE21 = 7.512(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.4555e-01 1.Q31 HE22 = 6.851(D), Expected = 7.02, Std = 0.4400, ChiSquare = 7.0091e-01 1.Q31 N = 124.557(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.9484e-01 1.Q31 NE2 = 112.384(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.6506e-01 1.G32 CA = 45.433(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5061e-01 1.G32 H = 8.419(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9109e-01 1.G32 HA2 = 3.955(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6766e-01 1.G32 HA3 = 3.955(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.8183e-01 1.G32 N = 110.608(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0849e-01 1.R33 CA = 56.156(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.9039e-01 1.R33 CB = 30.969(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.8314e-01 1.R33 CG = 27.198(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.9202e-01 1.R33 CD = 43.403(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.8244e-01 1.R33 H = 8.234(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.9215e-01 1.R33 HA = 4.362(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.9278e-01 1.R33 HB2 = 1.750(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.8223e-01 1.R33 HB3 = 1.889(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.4500e-01 1.R33 HG2 = 1.618(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.5890e-01 1.R33 HG3 = 1.618(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.8796e-01 1.R33 HD2 = 3.181(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.9937e-01 1.R33 HD3 = 3.181(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.5539e-01 1.R33 HE = 7.219(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.7388e-01 1.R33 N = 120.497(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.3438e-01 1.R33 NE = 84.738(D), Expected = 84.63, Std = 1.6800, ChiSquare = 9.4874e-01 1.G34 CA = 45.501(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1028e-01 1.G34 H = 8.492(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0318e-01 1.G34 HA2 = 3.939(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3323e-01 1.G34 HA3 = 3.939(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.1605e-01 1.G34 N = 110.102(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1112e-01 1.D35 CA = 53.418(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.3092e-01 1.D35 CB = 38.731(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.8466e-01 1.D35 H = 8.316(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.9175e-01 1.D35 HA = 4.649(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.5372e-01 1.D35 HB2 = 2.884(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.2819e-01 1.D35 HB3 = 2.780(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.6823e-01 1.D35 N = 119.237(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.1432e-01 1.D36 CA = 53.544(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.7239e-01 1.D36 CB = 39.475(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.8579e-01 1.D36 H = 8.423(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.4553e-01 1.D36 HA = 4.659(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.2928e-01 1.D36 HB2 = 2.876(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.4851e-01 1.D36 HB3 = 2.767(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.0236e-01 1.D36 N = 119.447(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.5530e-01 1.D37 CA = 53.544(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.7239e-01 1.D37 CB = 38.683(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.7504e-01 1.D37 H = 8.295(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7937e-01 1.D37 HA = 4.654(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.4148e-01 1.D37 HB2 = 2.871(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.6140e-01 1.D37 HB3 = 2.785(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.5529e-01 1.D37 N = 119.137(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.9508e-01 1.D38 CA = 53.544(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.7239e-01 1.D38 CB = 38.683(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.7504e-01 1.D38 H = 8.295(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7937e-01 1.D38 HA = 4.654(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.4148e-01 1.D38 HB2 = 2.871(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.6140e-01 1.D38 HB3 = 2.785(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.5529e-01 1.D38 N = 119.137(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.9508e-01 1.D39 CA = 53.544(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.7239e-01 1.D39 CB = 38.683(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.7504e-01 1.D39 H = 8.295(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7937e-01 1.D39 HA = 4.654(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.4148e-01 1.D39 HB2 = 2.871(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.6140e-01 1.D39 HB3 = 2.785(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.5529e-01 1.D39 N = 119.137(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.9508e-01 1.D40 CA = 53.544(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.7239e-01 1.D40 CB = 38.683(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.7504e-01 1.D40 H = 8.295(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7937e-01 1.D40 HA = 4.654(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.4148e-01 1.D40 HB2 = 2.871(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.6140e-01 1.D40 HB3 = 2.785(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.5529e-01 1.D40 N = 119.137(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.9508e-01 1.D41 CA = 53.544(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.7239e-01 1.D41 CB = 38.683(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.7504e-01 1.D41 H = 8.295(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7937e-01 1.D41 HA = 4.654(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.4148e-01 1.D41 HB2 = 2.871(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.6140e-01 1.D41 HB3 = 2.785(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.5529e-01 1.D41 N = 119.137(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.9508e-01 1.D42 CA = 53.544(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.7239e-01 1.D42 CB = 38.683(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.7504e-01 1.D42 H = 8.273(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.4914e-01 1.D42 HA = 4.719(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.8686e-01 1.D42 HB2 = 2.889(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.1569e-01 1.D42 HB3 = 2.778(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.7344e-01 1.D42 N = 119.211(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0930e-01 1.D43 CB = 38.710(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.8041e-01 1.D43 H = 8.000(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.9301e-01 1.D43 HA = 4.555(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.1291e-01 1.D43 HB2 = 2.840(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.4441e-01 1.D43 HB3 = 2.813(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.8477e-01 1.D43 N = 122.403(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.4972e-01