Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.44 L 0.32 G 0.08 D 0.06 K 0.03 Y 0.03 C Shift Assignments>> CA :: 43.429(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.983(D) HA3 :: 3.983(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.P2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.308(D) CA :: 63.526(D) CB :: 32.210(D) CG :: 27.077(D) CD :: 49.737(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 :: 4.477(D) HB2 :: 1.995(D) HB3 :: 2.315(D) HG2 :: 2.034(D) HG3 :: 2.034(D) HD2 :: 3.576(D) HD3 :: 3.610(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.G3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.09 C Shift Assignments>> C :: 173.132(D) CA :: 45.441(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.684(D) HA2 :: 3.987(D) HA3 :: 3.987(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.973(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.494(D) CA :: 58.555(D) CB :: 63.816(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.203(D) HA :: 4.434(D) HB2 :: 3.877(D) HB3 :: 3.877(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 :: 115.630(D) Ave N Shift Values>> N :: 116.28(3.52) 1.M5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.8 A 0.19 HN Overlap>> 1.D12 1.D12 C Shift Assignments>> C :: 174.671(D) CA :: 55.648(D) CB :: 32.669(D) CG :: 31.995(D) CE :: 16.938(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 :: 8.463(D) HA :: 4.487(D) HB2 :: 2.006(D) HB3 :: 2.089(D) HG2 :: 2.527(D) HG3 :: 2.597(D) HE1 :: 2.086(D) HE2 :: 2.086(D) HE3 :: 2.086(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 :: 121.828(D) Ave N Shift Values>> N :: 120.09(3.57) 1.N6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.59 D 0.23 Y 0.09 L 0.06 C Shift Assignments>> C :: 173.417(D) CA :: 53.263(D) CB :: 38.931(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 :: 8.403(D) HA :: 4.676(D) HB2 :: 2.713(D) HB3 :: 2.783(D) HD21 :: 7.615(D) HD22 :: 6.937(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 :: 119.748(D) ND2 :: 113.171(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.81 R 0.15 G 0.01 C Shift Assignments>> CA :: 54.305(D) CB :: 32.641(D) CG :: 24.567(D) CD :: 29.258(D) CE :: 42.186(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 :: 8.239(D) HA :: 4.604(D) HB2 :: 1.717(D) HB3 :: 1.811(D) HG2 :: 1.432(D) HG3 :: 1.456(D) HD2 :: 1.685(D) HD3 :: 1.685(D) HE2 :: 2.994(D) HE3 :: 2.994(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 :: 122.742(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.988(D) CA :: 63.273(D) CB :: 32.188(D) CG :: 27.372(D) CD :: 50.698(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 :: 4.508(D) HB2 :: 1.926(D) HB3 :: 2.314(D) HG2 :: 2.028(D) HG3 :: 2.028(D) HD2 :: 3.644(D) HD3 :: 3.804(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.T9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.520(D) CA :: 61.895(D) CB :: 69.910(D) CG2 :: 21.678(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 :: 8.311(D) HA :: 4.308(D) HB :: 4.231(D) HG21 :: 1.187(D) HG22 :: 1.187(D) HG23 :: 1.187(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.115(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.685(D) CA :: 58.324(D) CB :: 63.992(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.341(D) HA :: 4.514(D) HB2 :: 3.864(D) HB3 :: 3.919(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.626(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.448(D) CA :: 58.722(D) CB :: 63.937(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.516(D) HA :: 4.542(D) HB2 :: 3.917(D) HB3 :: 3.982(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 :: 118.217(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.27 K 0.14 Y 0.12 N 0.09 R 0.01 HN Overlap>> 1.M5 1.M5 C Shift Assignments>> C :: 176.189(D) CA :: 55.077(D) CB :: 41.044(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 :: 4.668(D) HB2 :: 2.639(D) HB3 :: 2.702(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 :: 121.834(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 173.984(D) CA :: 46.770(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.470(D) HA2 :: 3.984(D) HA3 :: 3.984(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.592(D) Ave N Shift Values>> N :: 109.67(3.87) 1.W14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.99 C Shift Assignments>> C :: 176.546(D) CA :: 59.002(D) CB :: 28.547(D) CD1 :: 127.705(D) CE3 :: 120.994(D) CZ2 :: 114.302(D) CZ3 :: 120.907(D) CH2 :: 123.434(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 :: 7.971(D) HA :: 4.473(D) HB2 :: 3.260(D) HB3 :: 3.491(D) HD1 :: 7.463(D) HE1 :: 10.339(D) HE3 :: 7.288(D) HZ2 :: 7.116(D) HZ3 :: 6.480(D) HH2 :: 6.799(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 :: 120.347(D) NE1 :: 130.260(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> K 0.87 R 0.11 G 0.01 C Shift Assignments>> C :: 176.224(D) CA :: 60.224(D) CB :: 31.942(D) CG :: 24.494(D) CD :: 29.473(D) CE :: 42.018(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.389(D) HA :: 3.132(D) HB2 :: 1.390(D) HB3 :: 1.390(D) HG2 :: 0.361(S) HG3 :: 0.549(D) HD2 :: 1.452(D) HD3 :: 1.452(D) HE2 :: 2.790(D) HE3 :: 2.790(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 :: 122.494(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.45 L 0.21 D 0.19 K 0.08 N 0.03 C Shift Assignments>> C :: 177.901(D) CA :: 57.456(D) CB :: 40.336(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 :: 7.789(D) HA :: 4.310(D) HB2 :: 2.620(D) HB3 :: 2.620(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.605(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.3 L 0.25 Y 0.2 D 0.16 R 0.05 N 0.01 HN Overlap>> 1.Q29 1.Q29 C Shift Assignments>> C :: 176.807(D) CA :: 57.144(D) CB :: 41.428(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 :: 7.994(D) HA :: 4.399(D) HB2 :: 2.710(D) HB3 :: 2.783(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.534(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 176.874(D) CA :: 62.632(D) CB :: 38.915(D) CD1 :: 132.627(D) CE1 :: 118.044(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.384(D) HA :: 4.167(D) HB2 :: 2.806(D) HB3 :: 3.123(D) HD1 :: 7.094(D) HD2 :: 7.094(D) HE1 :: 6.734(D) HE2 :: 6.734(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.609(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.94 R 0.04 C Shift Assignments>> C :: 178.340(D) CA :: 58.304(D) CB :: 41.720(D) CG :: 27.187(D) CD1 :: 23.846(D) CD2 :: 24.971(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 :: 8.637(D) HA :: 3.901(D) HB2 :: 1.569(D) HB3 :: 1.847(D) HG :: 1.764(D) HD11 :: 0.892(D) HD12 :: 0.892(D) HD13 :: 0.892(D) HD21 :: 0.899(D) HD22 :: 0.899(D) HD23 :: 0.899(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.147(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.620(D) CA :: 61.744(D) CB :: 62.567(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.902(D) HA :: 4.152(D) HB2 :: 4.018(D) HB3 :: 4.018(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 :: 114.699(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.7 G 0.25 K 0.03 C Shift Assignments>> C :: 178.647(D) CA :: 59.580(D) CB :: 29.815(D) CG :: 27.740(D) CD :: 43.782(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.754(D) HA :: 3.970(D) HB2 :: 1.794(D) HB3 :: 1.883(D) HG2 :: 1.507(D) HG3 :: 1.507(D) HD2 :: 3.084(D) HD3 :: 3.153(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 :: 122.254(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.L22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.66 R 0.28 G 0.03 A 0.02 C Shift Assignments>> C :: 177.770(D) CA :: 57.552(D) CB :: 42.165(D) CG :: 26.149(D) CD1 :: 22.607(D) CD2 :: 26.794(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 :: 8.331(D) HA :: 3.830(D) HB2 :: 1.252(D) HB3 :: 1.930(D) HG :: 1.483(D) HD11 :: 0.496(D) HD12 :: 0.496(D) HD13 :: 0.496(D) HD21 :: 0.768(D) HD22 :: 0.768(D) HD23 :: 0.768(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.620(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.173(D) CA :: 61.382(D) CB :: 63.279(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.955(D) HA :: 4.262(D) HB2 :: 4.019(D) HB3 :: 4.019(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.453(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.76 K 0.11 G 0.11 C Shift Assignments>> C :: 175.255(D) CA :: 56.056(D) CB :: 30.655(D) CG :: 27.556(D) CD :: 43.412(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.173(D) HA :: 4.364(D) HB2 :: 1.729(D) HB3 :: 2.085(D) HG2 :: 1.662(D) HG3 :: 1.782(D) HD2 :: 3.168(D) HD3 :: 3.206(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.236(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.L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.62 A 0.2 R 0.12 G 0.04 C Shift Assignments>> C :: 175.583(D) CA :: 54.306(D) CB :: 42.636(D) CG :: 26.677(D) CD1 :: 22.209(D) CD2 :: 25.854(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.525(D) HA :: 4.514(D) HB2 :: 1.515(D) HB3 :: 1.971(D) HG :: 1.867(D) HD11 :: 0.740(D) HD12 :: 0.740(D) HD13 :: 0.740(D) HD21 :: 0.798(D) HD22 :: 0.798(D) HD23 :: 0.798(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.790(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.129(D) CA :: 56.609(D) CB :: 65.717(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.914(D) HA :: 4.577(D) HB2 :: 4.022(D) HB3 :: 4.435(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 :: 116.088(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.56 R 0.37 G 0.05 C Shift Assignments>> C :: 176.879(D) CA :: 61.485(D) CB :: 31.903(D) CG :: 25.950(D) CD :: 29.790(D) CE :: 42.412(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 :: 9.296(D) HA :: 3.870(D) HB2 :: 1.852(D) HB3 :: 1.912(D) HG2 :: 1.257(D) HG3 :: 1.394(D) HD2 :: 1.724(D) HD3 :: 1.765(D) HE2 :: 3.052(D) HE3 :: 3.052(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 :: 121.289(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.46 E 0.22 N 0.13 D 0.06 M 0.06 L 0.03 K 0.01 C Shift Assignments>> C :: 177.750(D) CA :: 56.794(D) CB :: 37.865(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 :: 8.730(D) HA :: 4.493(D) HB2 :: 2.734(D) HB3 :: 2.734(D) HD21 :: 7.700(D) HD22 :: 6.982(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 :: 116.550(D) ND2 :: 112.371(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.37 Q 0.28 K 0.23 M 0.08 HN Overlap>> 1.D17 1.D17 C Shift Assignments>> C :: 178.673(D) CA :: 58.811(D) CB :: 29.844(D) CG :: 34.911(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.950(D) HA :: 4.111(D) HB2 :: 2.509(D) HB3 :: 1.963(D) HG2 :: 2.461(D) HG3 :: 2.461(D) HE21 :: 7.639(D) HE22 :: 6.895(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 :: 120.485(D) NE2 :: 112.443(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.42 R 0.42 G 0.14 C Shift Assignments>> C :: 177.417(D) CA :: 58.292(D) CB :: 43.396(D) CG :: 27.435(D) CD1 :: 25.283(D) CD2 :: 26.733(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 :: 8.801(D) HA :: 4.024(D) HB2 :: 1.329(D) HB3 :: 2.136(D) HG :: 1.737(D) HD11 :: 0.890(D) HD12 :: 0.890(D) HD13 :: 0.890(D) HD21 :: 0.867(D) HD22 :: 0.867(D) HD23 :: 0.867(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 :: 123.353(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.99 C Shift Assignments>> C :: 175.662(D) CA :: 60.287(D) CB :: 33.669(D) CG :: 32.204(D) CE :: 16.310(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 :: 8.546(D) HA :: 3.900(D) HB2 :: 1.987(D) HB3 :: 2.284(D) HG2 :: 2.213(D) HG3 :: 2.795(D) HE1 :: 2.051(D) HE2 :: 2.051(D) HE3 :: 2.051(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.738(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.4 C Shift Assignments>> C :: 179.173(D) CA :: 55.071(D) CB :: 17.954(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.490(D) HA :: 4.046(D) HB1 :: 1.506(D) HB2 :: 1.506(D) HB3 :: 1.506(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.081(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.6 R 0.35 G 0.03 C Shift Assignments>> C :: 176.742(D) CA :: 57.982(D) CB :: 42.364(D) CG :: 27.205(D) CD1 :: 23.459(D) CD2 :: 26.656(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.956(D) HA :: 4.242(D) HB2 :: 1.609(D) HB3 :: 1.972(D) HG :: 1.611(D) HD11 :: 0.976(D) HD12 :: 0.976(D) HD13 :: 0.976(D) HD21 :: 0.892(D) HD22 :: 0.892(D) HD23 :: 0.892(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.097(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.75 A 0.24 C Shift Assignments>> C :: 177.746(D) CA :: 55.870(D) CB :: 17.697(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.594(D) HA :: 4.007(D) HB1 :: 1.525(D) HB2 :: 1.525(D) HB3 :: 1.525(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.410(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.83 R 0.14 G 0.01 C Shift Assignments>> C :: 177.073(D) CA :: 58.876(D) CB :: 42.061(D) CG :: 27.062(D) CD1 :: 25.860(D) CD2 :: 25.303(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 :: 8.204(D) HA :: 4.240(D) HB2 :: 1.710(D) HB3 :: 1.997(D) HG :: 1.751(D) HD11 :: 0.973(D) HD12 :: 0.973(D) HD13 :: 0.973(D) HD21 :: 0.991(D) HD22 :: 0.991(D) HD23 :: 0.991(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 :: 116.943(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.85 R 0.12 G 0.01 C Shift Assignments>> C :: 178.397(D) CA :: 59.589(D) CB :: 32.362(D) CG :: 24.870(D) CD :: 29.491(D) CE :: 42.134(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.850(D) HA :: 4.156(D) HB2 :: 2.009(D) HB3 :: 2.121(D) HG2 :: 1.399(D) HG3 :: 1.575(D) HD2 :: 1.714(D) HD3 :: 1.714(D) HE2 :: 2.970(D) HE3 :: 2.970(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.793(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.4 L 0.4 G 0.18 C Shift Assignments>> C :: 178.849(D) CA :: 57.863(D) CB :: 43.446(D) CG :: 27.017(D) CD1 :: 23.050(D) CD2 :: 26.987(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 :: 8.635(D) HA :: 4.111(D) HB2 :: 1.307(D) HB3 :: 2.088(D) HG :: 1.933(D) HD11 :: 0.856(D) HD12 :: 0.856(D) HD13 :: 0.856(D) HD21 :: 1.027(D) HD22 :: 1.027(D) HD23 :: 1.027(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.409(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.53 R 0.44 G 0.01 C Shift Assignments>> C :: 177.053(D) CA :: 57.966(D) CB :: 31.558(D) CG :: 24.293(D) CD :: 28.146(D) CE :: 42.299(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 :: 8.825(D) HA :: 4.006(D) HB2 :: 1.938(D) HB3 :: 2.043(D) HG2 :: 0.653(D) HG3 :: 0.839(D) HD2 :: 1.369(D) HD3 :: 1.607(D) HE2 :: 2.428(D) HE3 :: 2.653(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 :: 122.138(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.37 Q 0.36 E 0.17 R 0.06 M 0.01 C Shift Assignments>> C :: 176.983(D) CA :: 59.505(D) CB :: 28.537(D) CG :: 34.306(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 :: 8.751(D) HA :: 3.839(D) HB2 :: 2.286(D) HB3 :: 2.433(D) HG2 :: 2.428(D) HG3 :: 2.564(D) HE21 :: 7.639(D) HE22 :: 6.901(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.950(D) NE2 :: 111.487(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.37 K 0.35 E 0.18 R 0.06 M 0.01 C Shift Assignments>> C :: 176.849(D) CA :: 58.636(D) CB :: 28.467(D) CG :: 34.389(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.943(D) HA :: 4.084(D) HB2 :: 2.104(D) HB3 :: 2.203(D) HG2 :: 2.397(D) HG3 :: 2.614(D) HE21 :: 7.460(D) HE22 :: 6.767(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.331(D) NE2 :: 110.581(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.39 K 0.38 E 0.12 R 0.06 M 0.03 C Shift Assignments>> C :: 176.928(D) CA :: 58.268(D) CB :: 28.823(D) CG :: 34.003(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.733(D) HA :: 4.077(D) HB2 :: 2.113(D) HB3 :: 2.241(D) HG2 :: 2.220(D) HG3 :: 2.502(D) HE21 :: 7.563(D) HE22 :: 6.799(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.268(D) NE2 :: 111.604(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.92 A 0.03 R 0.01 G 0.01 C Shift Assignments>> C :: 177.349(D) CA :: 56.398(D) CB :: 42.133(D) CG :: 26.380(D) CD1 :: 22.660(D) CD2 :: 24.525(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.890(D) HA :: 4.045(D) HB2 :: 1.316(D) HB3 :: 1.562(D) HG :: 1.428(D) HD11 :: 0.498(D) HD12 :: 0.498(D) HD13 :: 0.498(D) HD21 :: 0.063(D) HD22 :: 0.063(D) HD23 :: 0.063(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.599(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.73 K 0.1 M 0.09 Q 0.05 C Shift Assignments>> C :: 175.535(D) CA :: 57.176(D) CB :: 29.921(D) CG :: 36.595(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.919(D) HA :: 4.175(D) HB2 :: 2.033(D) HB3 :: 2.070(D) HG2 :: 2.257(D) HG3 :: 2.413(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.654(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.4 K 0.35 E 0.12 M 0.08 R 0.03 C Shift Assignments>> C :: 174.476(D) CA :: 56.170(D) CB :: 29.450(D) CG :: 33.961(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.855(D) HA :: 4.303(D) HB2 :: 2.042(D) HB3 :: 2.180(D) HG2 :: 2.415(D) HG3 :: 2.415(D) HE21 :: 7.550(D) HE22 :: 6.840(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.378(D) NE2 :: 112.330(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.341(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.893(D) HA2 :: 3.746(D) HA3 :: 3.746(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.415(D) Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 44 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 45 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 45 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 193 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 324 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 50 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G1 CA = 43.429(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.5169e-01 1.G1 HA2 = 3.983(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.7197e-01 1.G1 HA3 = 3.983(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.2250e-01 1.P2 C = 176.308(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.6974e-01 1.P2 CA = 63.526(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.9740e-01 1.P2 CB = 32.210(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.6030e-01 1.P2 CG = 27.077(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.3201e-01 1.P2 CD = 49.737(D), Expected = 50.32, Std = 0.9900, ChiSquare = 5.5594e-01 1.P2 HA = 4.477(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.1550e-01 1.P2 HB2 = 1.995(D), Expected = 2.08, Std = 0.3500, ChiSquare = 8.0812e-01 1.P2 HB3 = 2.315(D), Expected = 2.00, Std = 0.3600, ChiSquare = 3.8157e-01 1.P2 HG2 = 2.034(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.3726e-01 1.P2 HG3 = 2.034(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.8470e-01 1.P2 HD2 = 3.576(D), Expected = 3.65, Std = 0.3500, ChiSquare = 8.3255e-01 1.P2 HD3 = 3.610(D), Expected = 3.61, Std = 0.3900, ChiSquare = 1.0000e+00 1.G3 C = 173.132(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.9465e-01 1.G3 CA = 45.441(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.4586e-01 1.G3 H = 8.684(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.8602e-01 1.G3 HA2 = 3.987(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6335e-01 1.G3 HA3 = 3.987(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.1410e-01 1.G3 N = 109.973(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.3759e-01 1.S4 C = 173.494(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.1269e-01 1.S4 CA = 58.555(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3647e-01 1.S4 CB = 63.816(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.9137e-01 1.S4 H = 8.203(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.9616e-01 1.S4 HA = 4.434(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.0845e-01 1.S4 HB2 = 3.877(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.9043e-01 1.S4 HB3 = 3.877(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.2034e-01 1.S4 N = 115.630(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.5350e-01 1.M5 C = 174.671(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.7029e-01 1.M5 CA = 55.648(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.3587e-01 1.M5 CB = 32.669(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.8605e-01 1.M5 CG = 31.995(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.9035e-01 1.M5 CE = 16.938(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.3342e-01 1.M5 H = 8.463(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.3511e-01 1.M5 HA = 4.487(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.7255e-01 1.M5 HB2 = 2.006(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.4373e-01 1.M5 HB3 = 2.089(D), Expected = 1.99, Std = 0.3400, ChiSquare = 7.7092e-01 1.M5 HG2 = 2.527(D), Expected = 2.42, Std = 0.3500, ChiSquare = 7.5982e-01 1.M5 HG3 = 2.597(D), Expected = 2.39, Std = 0.3800, ChiSquare = 5.8593e-01 1.M5 HE1 = 2.086(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.7004e-01 1.M5 HE2 = 2.086(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.7004e-01 1.M5 HE3 = 2.086(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.7004e-01 1.M5 N = 121.828(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.2638e-01 1.N6 C = 173.417(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.0058e-01 1.N6 CA = 53.263(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.8286e-01 1.N6 CB = 38.931(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.8660e-01 1.N6 H = 8.403(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.2034e-01 1.N6 HA = 4.676(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.8670e-01 1.N6 HB2 = 2.713(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.5435e-01 1.N6 HB3 = 2.783(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.2034e-01 1.N6 HD21 = 7.615(D), Expected = 7.35, Std = 0.4800, ChiSquare = 5.8089e-01 1.N6 HD22 = 6.937(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.7866e-01 1.N6 N = 119.748(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.3915e-01 1.N6 ND2 = 113.171(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.5026e-01 1.K7 CA = 54.305(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.2926e-01 1.K7 CB = 32.641(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.3329e-01 1.K7 CG = 24.567(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.7500e-01 1.K7 CD = 29.258(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.8260e-01 1.K7 CE = 42.186(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.1812e-01 1.K7 H = 8.239(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3491e-01 1.K7 HA = 4.604(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.4780e-01 1.K7 HB2 = 1.717(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.0104e-01 1.K7 HB3 = 1.811(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.9258e-01 1.K7 HG2 = 1.432(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.1152e-01 1.K7 HG3 = 1.456(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.0501e-01 1.K7 HD2 = 1.685(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.3317e-01 1.K7 HD3 = 1.685(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.9923e-01 1.K7 HE2 = 2.994(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.9693e-01 1.K7 HE3 = 2.994(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.7449e-01 1.K7 N = 122.742(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.5357e-01 1.P8 C = 175.988(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.1381e-01 1.P8 CA = 63.273(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.7009e-01 1.P8 CB = 32.188(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.7454e-01 1.P8 CG = 27.372(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.5298e-01 1.P8 CD = 50.698(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.0260e-01 1.P8 HA = 4.508(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.4346e-01 1.P8 HB2 = 1.926(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.5994e-01 1.P8 HB3 = 2.314(D), Expected = 2.00, Std = 0.3600, ChiSquare = 3.8309e-01 1.P8 HG2 = 2.028(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.5190e-01 1.P8 HG3 = 2.028(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.9811e-01 1.P8 HD2 = 3.644(D), Expected = 3.65, Std = 0.3500, ChiSquare = 9.8632e-01 1.P8 HD3 = 3.804(D), Expected = 3.61, Std = 0.3900, ChiSquare = 6.1888e-01 1.T9 C = 173.520(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.6222e-01 1.T9 CA = 61.895(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0014e-01 1.T9 CB = 69.910(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.1207e-01 1.T9 CG2 = 21.678(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.0820e-01 1.T9 H = 8.311(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.0883e-01 1.T9 HA = 4.308(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.5150e-01 1.T9 HB = 4.231(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.5335e-01 1.T9 HG21 = 1.187(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3808e-01 1.T9 HG22 = 1.187(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3808e-01 1.T9 HG23 = 1.187(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3808e-01 1.T9 N = 114.115(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.8352e-01 1.S10 C = 173.685(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.8671e-01 1.S10 CA = 58.324(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.4829e-01 1.S10 CB = 63.992(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.9678e-01 1.S10 H = 8.341(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.1765e-01 1.S10 HA = 4.514(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.3226e-01 1.S10 HB2 = 3.864(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.4897e-01 1.S10 HB3 = 3.919(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.9829e-01 1.S10 N = 117.626(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.0217e-01 1.S11 C = 173.448(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.9562e-01 1.S11 CA = 58.722(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.9923e-01 1.S11 CB = 63.937(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.2625e-01 1.S11 H = 8.516(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.8916e-01 1.S11 HA = 4.542(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.7682e-01 1.S11 HB2 = 3.917(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.8234e-01 1.S11 HB3 = 3.982(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.2492e-01 1.S11 N = 118.217(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.8212e-01 1.D12 C = 176.189(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.0403e-01 1.D12 CA = 55.077(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4881e-01 1.D12 CB = 41.044(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.1936e-01 1.D12 H = 8.431(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.3474e-01 1.D12 HA = 4.668(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.0742e-01 1.D12 HB2 = 2.639(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.5539e-01 1.D12 HB3 = 2.702(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.8076e-01 1.D12 N = 121.834(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.5904e-01 1.G13 C = 173.984(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5165e-01 1.G13 CA = 46.770(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.8928e-01 1.G13 H = 8.470(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2947e-01 1.G13 HA2 = 3.984(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6982e-01 1.G13 HA3 = 3.984(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.2040e-01 1.G13 N = 109.592(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8392e-01 1.W14 C = 176.546(D), Expected = 176.12, Std = 2.0100, ChiSquare = 8.3215e-01 1.W14 CA = 59.002(D), Expected = 57.66, Std = 2.5800, ChiSquare = 6.0296e-01 1.W14 CB = 28.547(D), Expected = 30.01, Std = 2.0100, ChiSquare = 4.6670e-01 1.W14 CD1 = 127.705(D), Expected = 126.51, Std = 1.8300, ChiSquare = 5.1375e-01 1.W14 CE3 = 120.994(D), Expected = 120.43, Std = 1.7900, ChiSquare = 7.5270e-01 1.W14 CZ2 = 114.302(D), Expected = 114.26, Std = 1.1200, ChiSquare = 9.7009e-01 1.W14 CZ3 = 120.907(D), Expected = 121.35, Std = 1.5300, ChiSquare = 7.7217e-01 1.W14 CH2 = 123.434(D), Expected = 123.86, Std = 1.4200, ChiSquare = 7.6418e-01 1.W14 H = 7.971(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.8636e-01 1.W14 HA = 4.473(D), Expected = 4.68, Std = 0.5300, ChiSquare = 6.9612e-01 1.W14 HB2 = 3.260(D), Expected = 3.19, Std = 0.3500, ChiSquare = 8.4148e-01 1.W14 HB3 = 3.491(D), Expected = 3.12, Std = 0.3600, ChiSquare = 3.0275e-01 1.W14 HD1 = 7.463(D), Expected = 7.14, Std = 0.3600, ChiSquare = 3.6960e-01 1.W14 HE1 = 10.339(D), Expected = 10.08, Std = 0.6600, ChiSquare = 6.9474e-01 1.W14 HE3 = 7.288(D), Expected = 7.31, Std = 0.4100, ChiSquare = 9.5721e-01 1.W14 HZ2 = 7.116(D), Expected = 7.28, Std = 0.3300, ChiSquare = 6.1921e-01 1.W14 HZ3 = 6.480(D), Expected = 6.86, Std = 0.4000, ChiSquare = 3.4211e-01 1.W14 HH2 = 6.799(D), Expected = 6.98, Std = 0.3900, ChiSquare = 6.4257e-01 1.W14 N = 120.347(D), Expected = 121.68, Std = 4.1800, ChiSquare = 7.4980e-01 1.W14 NE1 = 130.260(D), Expected = 129.32, Std = 2.1100, ChiSquare = 6.5596e-01 1.K15 C = 176.224(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.3523e-01 1.K15 CA = 60.224(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.3670e-01 1.K15 CB = 31.942(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.3379e-01 1.K15 CG = 24.494(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.2601e-01 1.K15 CD = 29.473(D), Expected = 28.96, Std = 1.0800, ChiSquare = 6.3479e-01 1.K15 CE = 42.018(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.7596e-01 1.K15 H = 7.389(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.8188e-01 1.K15 HA = 3.132(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.6995e-03 1.K15 HB2 = 1.390(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.1876e-01 1.K15 HB3 = 1.390(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.9487e-01 1.K15 HG2 = 0.361(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.0413e-04 1.K15 HG3 = 0.549(D), Expected = 1.35, Std = 0.2800, ChiSquare = 4.2269e-03 1.K15 HD2 = 1.452(D), Expected = 1.61, Std = 0.2200, ChiSquare = 4.7265e-01 1.K15 HD3 = 1.452(D), Expected = 1.60, Std = 0.2200, ChiSquare = 5.0112e-01 1.K15 HE2 = 2.790(D), Expected = 2.92, Std = 0.1900, ChiSquare = 4.9384e-01 1.K15 HE3 = 2.790(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.4851e-01 1.K15 N = 122.494(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.0170e-01 1.D16 C = 177.901(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.9105e-01 1.D16 CA = 57.456(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.7302e-01 1.D16 CB = 40.336(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.3702e-01 1.D16 H = 7.789(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.6904e-01 1.D16 HA = 4.310(D), Expected = 4.59, Std = 0.3200, ChiSquare = 3.8157e-01 1.D16 HB2 = 2.620(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.0052e-01 1.D16 HB3 = 2.620(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.8640e-01 1.D16 N = 118.605(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.9626e-01 1.D17 C = 176.807(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.1609e-01 1.D17 CA = 57.144(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.2671e-01 1.D17 CB = 41.428(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.3516e-01 1.D17 H = 7.994(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.8587e-01 1.D17 HA = 4.399(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.5059e-01 1.D17 HB2 = 2.710(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.6932e-01 1.D17 HB3 = 2.783(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.6045e-01 1.D17 N = 120.534(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.7603e-01 1.Y18 C = 176.874(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.5887e-01 1.Y18 CA = 62.632(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.2873e-02 1.Y18 CB = 38.915(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.5127e-01 1.Y18 CD1 = 132.627(D), Expected = 132.77, Std = 1.1700, ChiSquare = 9.0272e-01 1.Y18 CE1 = 118.044(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.2368e-01 1.Y18 H = 8.384(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.3014e-01 1.Y18 HA = 4.167(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.0836e-01 1.Y18 HB2 = 2.806(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.7865e-01 1.Y18 HB3 = 3.123(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.6806e-01 1.Y18 HD1 = 7.094(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.8461e-01 1.Y18 HD2 = 7.094(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.8461e-01 1.Y18 HE1 = 6.734(D), Expected = 6.70, Std = 0.2300, ChiSquare = 8.8248e-01 1.Y18 HE2 = 6.734(D), Expected = 6.71, Std = 0.2300, ChiSquare = 9.1689e-01 1.Y18 N = 122.609(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.1892e-01 1.L19 C = 178.340(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.9535e-01 1.L19 CA = 58.304(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0764e-01 1.L19 CB = 41.720(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.5365e-01 1.L19 CG = 27.187(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.1138e-01 1.L19 CD1 = 23.846(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.8253e-01 1.L19 CD2 = 24.971(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.8798e-01 1.L19 H = 8.637(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.3121e-01 1.L19 HA = 3.901(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.7267e-01 1.L19 HB2 = 1.569(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.0402e-01 1.L19 HB3 = 1.847(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.6370e-01 1.L19 HG = 1.764(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.4148e-01 1.L19 HD11 = 0.892(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.1205e-01 1.L19 HD12 = 0.892(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.1205e-01 1.L19 HD13 = 0.892(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.1205e-01 1.L19 HD21 = 0.899(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6006e-01 1.L19 HD22 = 0.899(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6006e-01 1.L19 HD23 = 0.899(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6006e-01 1.L19 N = 118.147(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.4107e-01 1.S20 C = 176.620(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.4491e-01 1.S20 CA = 61.744(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4405e-01 1.S20 CB = 62.567(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.0478e-01 1.S20 H = 7.902(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.2173e-01 1.S20 HA = 4.152(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.1222e-01 1.S20 HB2 = 4.018(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.8095e-01 1.S20 HB3 = 4.018(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.3380e-01 1.S20 N = 114.699(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.5332e-01 1.R21 C = 178.647(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.7047e-01 1.R21 CA = 59.580(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.2381e-01 1.R21 CB = 29.815(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.2866e-01 1.R21 CG = 27.740(D), Expected = 27.21, Std = 1.2000, ChiSquare = 6.5873e-01 1.R21 CD = 43.782(D), Expected = 43.16, Std = 0.8800, ChiSquare = 4.7968e-01 1.R21 H = 7.754(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.2561e-01 1.R21 HA = 3.970(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.7313e-01 1.R21 HB2 = 1.794(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.8818e-01 1.R21 HB3 = 1.883(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.6045e-01 1.R21 HG2 = 1.507(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.1550e-01 1.R21 HG3 = 1.507(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.0940e-01 1.R21 HD2 = 3.084(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.8076e-01 1.R21 HD3 = 3.153(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.3847e-01 1.R21 N = 122.254(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.9276e-01 1.L22 C = 177.770(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.9363e-01 1.L22 CA = 57.552(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.6438e-01 1.L22 CB = 42.165(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.3852e-01 1.L22 CG = 26.149(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.6621e-01 1.L22 CD1 = 22.607(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.8387e-01 1.L22 CD2 = 26.794(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.0650e-01 1.L22 H = 8.331(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.7652e-01 1.L22 HA = 3.830(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.9716e-01 1.L22 HB2 = 1.252(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.9237e-01 1.L22 HB3 = 1.930(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.5475e-01 1.L22 HG = 1.483(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.3479e-01 1.L22 HD11 = 0.496(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.6433e-01 1.L22 HD12 = 0.496(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.6433e-01 1.L22 HD13 = 0.496(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.6433e-01 1.L22 HD21 = 0.768(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.9575e-01 1.L22 HD22 = 0.768(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.9575e-01 1.L22 HD23 = 0.768(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.9575e-01 1.L22 N = 119.620(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6572e-01 1.S23 C = 174.173(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.9495e-01 1.S23 CA = 61.382(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.9845e-01 1.S23 CB = 63.279(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.2482e-01 1.S23 H = 7.955(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.8174e-01 1.S23 HA = 4.262(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.8575e-01 1.S23 HB2 = 4.019(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.7821e-01 1.S23 HB3 = 4.019(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.3136e-01 1.S23 N = 111.453(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.7028e-01 1.R24 C = 175.255(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.6938e-01 1.R24 CA = 56.056(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.5725e-01 1.R24 CB = 30.655(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.8038e-01 1.R24 CG = 27.556(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.7309e-01 1.R24 CD = 43.412(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.7460e-01 1.R24 H = 7.173(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.0260e-02 1.R24 HA = 4.364(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.8935e-01 1.R24 HB2 = 1.729(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.2126e-01 1.R24 HB3 = 2.085(D), Expected = 1.76, Std = 0.2800, ChiSquare = 2.4576e-01 1.R24 HG2 = 1.662(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.3330e-01 1.R24 HG3 = 1.782(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.0401e-01 1.R24 HD2 = 3.168(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.4148e-01 1.R24 HD3 = 3.206(D), Expected = 3.10, Std = 0.2600, ChiSquare = 6.8350e-01 1.R24 N = 119.236(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.7084e-01 1.L25 C = 175.583(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.7733e-01 1.L25 CA = 54.306(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.3730e-01 1.L25 CB = 42.636(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.6233e-01 1.L25 CG = 26.677(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.2540e-01 1.L25 CD1 = 22.209(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.1428e-01 1.L25 CD2 = 25.854(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.8861e-01 1.L25 H = 7.525(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.7809e-01 1.L25 HA = 4.514(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7978e-01 1.L25 HB2 = 1.515(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.7993e-01 1.L25 HB3 = 1.971(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.1029e-01 1.L25 HG = 1.867(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.7933e-01 1.L25 HD11 = 0.740(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.7151e-01 1.L25 HD12 = 0.740(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.7151e-01 1.L25 HD13 = 0.740(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.7151e-01 1.L25 HD21 = 0.798(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1461e-01 1.L25 HD22 = 0.798(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1461e-01 1.L25 HD23 = 0.798(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1461e-01 1.L25 N = 120.790(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8381e-01 1.S26 C = 174.129(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.7529e-01 1.S26 CA = 56.609(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.0782e-01 1.S26 CB = 65.717(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.9523e-01 1.S26 H = 8.914(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.8256e-01 1.S26 HA = 4.577(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.0839e-01 1.S26 HB2 = 4.022(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.7003e-01 1.S26 HB3 = 4.435(D), Expected = 3.85, Std = 0.2700, ChiSquare = 3.0260e-02 1.S26 N = 116.088(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5650e-01 1.K27 C = 176.879(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.0488e-01 1.K27 CA = 61.485(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.9268e-02 1.K27 CB = 31.903(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.1826e-01 1.K27 CG = 25.950(D), Expected = 24.89, Std = 1.1300, ChiSquare = 3.4822e-01 1.K27 CD = 29.790(D), Expected = 28.96, Std = 1.0800, ChiSquare = 4.4218e-01 1.K27 CE = 42.412(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.2440e-01 1.K27 H = 9.296(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5281e-02 1.K27 HA = 3.870(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.6330e-01 1.K27 HB2 = 1.852(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.7335e-01 1.K27 HB3 = 1.912(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.2410e-01 1.K27 HG2 = 1.257(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.6384e-01 1.K27 HG3 = 1.394(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.7513e-01 1.K27 HD2 = 1.724(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.0433e-01 1.K27 HD3 = 1.765(D), Expected = 1.60, Std = 0.2200, ChiSquare = 4.5325e-01 1.K27 HE2 = 3.052(D), Expected = 2.92, Std = 0.1900, ChiSquare = 4.8722e-01 1.K27 HE3 = 3.052(D), Expected = 2.91, Std = 0.2000, ChiSquare = 4.7770e-01 1.K27 N = 121.289(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4945e-01 1.N28 C = 177.750(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.6591e-01 1.N28 CA = 56.794(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.3478e-02 1.N28 CB = 37.865(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.2543e-01 1.N28 H = 8.730(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.3589e-01 1.N28 HA = 4.493(D), Expected = 4.67, Std = 0.3600, ChiSquare = 6.2295e-01 1.N28 HB2 = 2.734(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.0633e-01 1.N28 HB3 = 2.734(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.6133e-01 1.N28 HD21 = 7.700(D), Expected = 7.35, Std = 0.4800, ChiSquare = 4.6590e-01 1.N28 HD22 = 6.982(D), Expected = 7.14, Std = 0.4900, ChiSquare = 7.4711e-01 1.N28 N = 116.550(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.5481e-01 1.N28 ND2 = 112.371(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.6505e-01 1.Q29 C = 178.673(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.2559e-01 1.Q29 CA = 58.811(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.9501e-01 1.Q29 CB = 29.844(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.1934e-01 1.Q29 CG = 34.911(D), Expected = 33.76, Std = 1.1100, ChiSquare = 2.9977e-01 1.Q29 H = 7.950(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.4722e-01 1.Q29 HA = 4.111(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.1783e-01 1.Q29 HB2 = 2.509(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.6358e-02 1.Q29 HB3 = 1.963(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.3869e-01 1.Q29 HG2 = 2.461(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.0152e-01 1.Q29 HG3 = 2.461(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.5542e-01 1.Q29 HE21 = 7.639(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.7526e-01 1.Q29 HE22 = 6.895(D), Expected = 7.02, Std = 0.4400, ChiSquare = 7.7634e-01 1.Q29 N = 120.485(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.6873e-01 1.Q29 NE2 = 112.443(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.3903e-01 1.L30 C = 177.417(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.2926e-01 1.L30 CA = 58.292(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0967e-01 1.L30 CB = 43.396(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.6349e-01 1.L30 CG = 27.435(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.5154e-01 1.L30 CD1 = 25.283(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.2327e-01 1.L30 CD2 = 26.733(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.1451e-01 1.L30 H = 8.801(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.7969e-01 1.L30 HA = 4.024(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.2883e-01 1.L30 HB2 = 1.329(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.0854e-01 1.L30 HB3 = 2.136(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.7061e-02 1.L30 HG = 1.737(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.9153e-01 1.L30 HD11 = 0.890(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.1707e-01 1.L30 HD12 = 0.890(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.1707e-01 1.L30 HD13 = 0.890(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.1707e-01 1.L30 HD21 = 0.867(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.3663e-01 1.L30 HD22 = 0.867(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.3663e-01 1.L30 HD23 = 0.867(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.3663e-01 1.L30 N = 123.353(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0185e-01 1.M31 C = 175.662(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.0425e-01 1.M31 CA = 60.287(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.1056e-02 1.M31 CB = 33.669(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.6179e-01 1.M31 CG = 32.204(D), Expected = 32.01, Std = 1.2400, ChiSquare = 8.7568e-01 1.M31 CE = 16.310(D), Expected = 17.07, Std = 1.5800, ChiSquare = 6.3051e-01 1.M31 H = 8.546(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.3360e-01 1.M31 HA = 3.900(D), Expected = 4.41, Std = 0.4800, ChiSquare = 2.8801e-01 1.M31 HB2 = 1.987(D), Expected = 2.03, Std = 0.3400, ChiSquare = 8.9936e-01 1.M31 HB3 = 2.284(D), Expected = 1.99, Std = 0.3400, ChiSquare = 3.8720e-01 1.M31 HG2 = 2.213(D), Expected = 2.42, Std = 0.3500, ChiSquare = 5.5423e-01 1.M31 HG3 = 2.795(D), Expected = 2.39, Std = 0.3800, ChiSquare = 2.8652e-01 1.M31 HE1 = 2.051(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.2634e-01 1.M31 HE2 = 2.051(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.2634e-01 1.M31 HE3 = 2.051(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.2634e-01 1.M31 N = 118.738(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.0490e-01 1.A32 C = 179.173(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.0109e-01 1.A32 CA = 55.071(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.2944e-01 1.A32 CB = 17.954(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.6391e-01 1.A32 H = 7.490(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3668e-01 1.A32 HA = 4.046(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.2671e-01 1.A32 HB1 = 1.506(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4851e-01 1.A32 HB2 = 1.506(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4851e-01 1.A32 HB3 = 1.506(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4851e-01 1.A32 N = 119.081(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.4118e-01 1.L33 C = 176.742(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.0032e-01 1.L33 CA = 57.982(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.6746e-01 1.L33 CB = 42.364(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.7709e-01 1.L33 CG = 27.205(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.9923e-01 1.L33 CD1 = 23.459(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.2773e-01 1.L33 CD2 = 26.656(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.2529e-01 1.L33 H = 7.956(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7336e-01 1.L33 HA = 4.242(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.6819e-01 1.L33 HB2 = 1.609(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.9765e-01 1.L33 HB3 = 1.972(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.0928e-01 1.L33 HG = 1.611(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.5956e-01 1.L33 HD11 = 0.976(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.1958e-01 1.L33 HD12 = 0.976(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.1958e-01 1.L33 HD13 = 0.976(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.1958e-01 1.L33 HD21 = 0.892(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.7642e-01 1.L33 HD22 = 0.892(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.7642e-01 1.L33 HD23 = 0.892(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.7642e-01 1.L33 N = 121.097(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4489e-01 1.A34 C = 177.746(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.9775e-01 1.A34 CA = 55.870(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6796e-01 1.A34 CB = 17.697(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.7307e-01 1.A34 H = 8.594(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.1140e-01 1.A34 HA = 4.007(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.6529e-01 1.A34 HB1 = 1.525(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.0090e-01 1.A34 HB2 = 1.525(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.0090e-01 1.A34 HB3 = 1.525(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.0090e-01 1.A34 N = 121.410(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.0716e-01 1.L35 C = 177.073(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.6656e-01 1.L35 CA = 58.876(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.2635e-01 1.L35 CB = 42.061(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9463e-01 1.L35 CG = 27.062(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.9767e-01 1.L35 CD1 = 25.860(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.7339e-01 1.L35 CD2 = 25.303(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.6109e-01 1.L35 H = 8.204(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6809e-01 1.L35 HA = 4.240(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.6484e-01 1.L35 HB2 = 1.710(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.6867e-01 1.L35 HB3 = 1.997(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.8517e-01 1.L35 HG = 1.751(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.6521e-01 1.L35 HD11 = 0.973(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2578e-01 1.L35 HD12 = 0.973(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2578e-01 1.L35 HD13 = 0.973(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2578e-01 1.L35 HD21 = 0.991(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6812e-01 1.L35 HD22 = 0.991(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6812e-01 1.L35 HD23 = 0.991(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6812e-01 1.L35 N = 116.943(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0739e-01 1.K36 C = 178.397(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.7967e-01 1.K36 CA = 59.589(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.3032e-01 1.K36 CB = 32.362(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0998e-01 1.K36 CG = 24.870(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.8588e-01 1.K36 CD = 29.491(D), Expected = 28.96, Std = 1.0800, ChiSquare = 6.2295e-01 1.K36 CE = 42.134(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.6604e-01 1.K36 H = 7.850(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.7094e-01 1.K36 HA = 4.156(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.9556e-01 1.K36 HB2 = 2.009(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.5967e-01 1.K36 HB3 = 2.121(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.5821e-01 1.K36 HG2 = 1.399(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.1119e-01 1.K36 HG3 = 1.575(D), Expected = 1.35, Std = 0.2800, ChiSquare = 4.2164e-01 1.K36 HD2 = 1.714(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.3641e-01 1.K36 HD3 = 1.714(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.0433e-01 1.K36 HE2 = 2.970(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.9243e-01 1.K36 HE3 = 2.970(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.6418e-01 1.K36 N = 119.793(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.3882e-01 1.L37 C = 178.849(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.4779e-01 1.L37 CA = 57.863(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.9232e-01 1.L37 CB = 43.446(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.4567e-01 1.L37 CG = 27.017(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.2941e-01 1.L37 CD1 = 23.050(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.9357e-01 1.L37 CD2 = 26.987(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.4052e-02 1.L37 H = 8.635(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.3323e-01 1.L37 HA = 4.111(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.5655e-01 1.L37 HB2 = 1.307(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.7283e-01 1.L37 HB3 = 2.088(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.1462e-01 1.L37 HG = 1.933(D), Expected = 1.51, Std = 0.3300, ChiSquare = 1.9991e-01 1.L37 HD11 = 0.856(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0501e-01 1.L37 HD12 = 0.856(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0501e-01 1.L37 HD13 = 0.856(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0501e-01 1.L37 HD21 = 1.027(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.0577e-01 1.L37 HD22 = 1.027(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.0577e-01 1.L37 HD23 = 1.027(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.0577e-01 1.L37 N = 119.409(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.2970e-01 1.K38 C = 177.053(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.3640e-01 1.K38 CA = 57.966(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.4421e-01 1.K38 CB = 31.558(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.8885e-01 1.K38 CG = 24.293(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.9728e-01 1.K38 CD = 28.146(D), Expected = 28.96, Std = 1.0800, ChiSquare = 4.5103e-01 1.K38 CE = 42.299(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.1793e-01 1.K38 H = 8.825(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.8990e-01 1.K38 HA = 4.006(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.4851e-01 1.K38 HB2 = 1.938(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.2739e-01 1.K38 HB3 = 2.043(D), Expected = 1.74, Std = 0.2700, ChiSquare = 2.6177e-01 1.K38 HG2 = 0.653(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.8211e-03 1.K38 HG3 = 0.839(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.8001e-02 1.K38 HD2 = 1.369(D), Expected = 1.61, Std = 0.2200, ChiSquare = 2.7332e-01 1.K38 HD3 = 1.607(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.7462e-01 1.K38 HE2 = 2.428(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.6123e-03 1.K38 HE3 = 2.653(D), Expected = 2.91, Std = 0.2000, ChiSquare = 1.9879e-01 1.K38 N = 122.138(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.7289e-01 1.Q39 C = 176.983(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.3000e-01 1.Q39 CA = 59.505(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.7022e-01 1.Q39 CB = 28.537(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.1975e-01 1.Q39 CG = 34.306(D), Expected = 33.76, Std = 1.1100, ChiSquare = 6.2280e-01 1.Q39 H = 8.751(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.6812e-01 1.Q39 HA = 3.839(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.2731e-01 1.Q39 HB2 = 2.286(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.4517e-01 1.Q39 HB3 = 2.433(D), Expected = 2.02, Std = 0.2800, ChiSquare = 1.4021e-01 1.Q39 HG2 = 2.428(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.8916e-01 1.Q39 HG3 = 2.564(D), Expected = 2.29, Std = 0.2900, ChiSquare = 3.4475e-01 1.Q39 HE21 = 7.639(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.7526e-01 1.Q39 HE22 = 6.901(D), Expected = 7.02, Std = 0.4400, ChiSquare = 7.8681e-01 1.Q39 N = 118.950(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.9401e-01 1.Q39 NE2 = 111.487(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.2379e-01 1.Q40 C = 176.849(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.8223e-01 1.Q40 CA = 58.636(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.3433e-01 1.Q40 CB = 28.467(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.9118e-01 1.Q40 CG = 34.389(D), Expected = 33.76, Std = 1.1100, ChiSquare = 5.7094e-01 1.Q40 H = 7.943(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.3872e-01 1.Q40 HA = 4.084(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.7249e-01 1.Q40 HB2 = 2.104(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.2899e-01 1.Q40 HB3 = 2.203(D), Expected = 2.02, Std = 0.2800, ChiSquare = 5.1339e-01 1.Q40 HG2 = 2.397(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.7550e-01 1.Q40 HG3 = 2.614(D), Expected = 2.29, Std = 0.2900, ChiSquare = 2.6389e-01 1.Q40 HE21 = 7.460(D), Expected = 7.24, Std = 0.4500, ChiSquare = 6.2492e-01 1.Q40 HE22 = 6.767(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.6529e-01 1.Q40 N = 117.331(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.7719e-01 1.Q40 NE2 = 110.581(D), Expected = 111.87, Std = 1.7200, ChiSquare = 4.5361e-01 1.Q41 C = 176.928(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.5130e-01 1.Q41 CA = 58.268(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.2751e-01 1.Q41 CB = 28.823(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.4019e-01 1.Q41 CG = 34.003(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.2671e-01 1.Q41 H = 7.733(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.0913e-01 1.Q41 HA = 4.077(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.6092e-01 1.Q41 HB2 = 2.113(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.0104e-01 1.Q41 HB3 = 2.241(D), Expected = 2.02, Std = 0.2800, ChiSquare = 4.2995e-01 1.Q41 HG2 = 2.220(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.1111e-01 1.Q41 HG3 = 2.502(D), Expected = 2.29, Std = 0.2900, ChiSquare = 4.6476e-01 1.Q41 HE21 = 7.563(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.7289e-01 1.Q41 HE22 = 6.799(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.1548e-01 1.Q41 N = 119.268(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.6283e-01 1.Q41 NE2 = 111.604(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.7710e-01 1.L42 C = 177.349(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.5612e-01 1.L42 CA = 56.398(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.1492e-01 1.L42 CB = 42.133(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.2499e-01 1.L42 CG = 26.380(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.1613e-01 1.L42 CD1 = 22.660(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.9511e-01 1.L42 CD2 = 24.525(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.7993e-01 1.L42 H = 7.890(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.0092e-01 1.L42 HA = 4.045(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.5848e-01 1.L42 HB2 = 1.316(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.8720e-01 1.L42 HB3 = 1.562(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.0712e-01 1.L42 HG = 1.428(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.0376e-01 1.L42 HD11 = 0.498(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.6812e-01 1.L42 HD12 = 0.498(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.6812e-01 1.L42 HD13 = 0.498(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.6812e-01 1.L42 HD21 = 0.063(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.1448e-02 1.L42 HD22 = 0.063(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.1448e-02 1.L42 HD23 = 0.063(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.1448e-02 1.L42 N = 119.599(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6209e-01 1.E43 C = 175.535(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.9359e-01 1.E43 CA = 57.176(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.4507e-01 1.E43 CB = 29.921(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.5873e-01 1.E43 CG = 36.595(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.8359e-01 1.E43 H = 7.919(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.8605e-01 1.E43 HA = 4.175(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.5486e-01 1.E43 HB2 = 2.033(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.5064e-01 1.E43 HB3 = 2.070(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.2797e-01 1.E43 HG2 = 2.257(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.5064e-01 1.E43 HG3 = 2.413(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.5875e-01 1.E43 N = 118.654(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.6238e-01 1.Q44 C = 174.476(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.4695e-01 1.Q44 CA = 56.170(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.5173e-01 1.Q44 CB = 29.450(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.8640e-01 1.Q44 CG = 33.961(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.5630e-01 1.Q44 H = 7.855(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.3615e-01 1.Q44 HA = 4.303(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4021e-01 1.Q44 HB2 = 2.042(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.7447e-01 1.Q44 HB3 = 2.180(D), Expected = 2.02, Std = 0.2800, ChiSquare = 5.6771e-01 1.Q44 HG2 = 2.415(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.2495e-01 1.Q44 HG3 = 2.415(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.6644e-01 1.Q44 HE21 = 7.550(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.9089e-01 1.Q44 HE22 = 6.840(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.8247e-01 1.Q44 N = 119.378(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.8690e-01 1.Q44 NE2 = 112.330(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.8913e-01 1.G45 CA = 46.341(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.5957e-01 1.G45 H = 7.893(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.0139e-01 1.G45 HA2 = 3.746(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.4491e-01 1.G45 HA3 = 3.746(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.7725e-01 1.G45 N = 115.415(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3768e-01