Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> A 0.55 M 0.41 I 0.03 C Shift Assignments>> CA :: 55.847(D) CB :: 31.493 CG :: 35.145(D) CE :: 16.826(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>> HA :: 3.747(D) HB2 :: 2.525 HB3 :: 2.525 HG2 :: 2.403(D) HG3 :: 2.409(D) HE1 :: 2.029(D) HE2 :: 2.029(D) HE3 :: 2.029(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.R2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.79 G 0.1 K 0.1 C Shift Assignments>> CA :: 56.471(D) CB :: 30.855(D) CG :: 27.127(D) CD :: 43.328(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>> HA :: 4.329(D) HB2 :: 1.770(D) HB3 :: 1.843(D) HG2 :: 1.630(D) HG3 :: 1.630(D) HD2 :: 3.153(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) 1.G3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> H 0.51 W 0.48 C Shift Assignments>> CA :: 56.389(D) CB :: 30.991 CE1 :: 138.507(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>> HA :: 4.558(D) HB2 :: 2.983(D) HB3 :: 2.983(D) HE1 :: 7.723(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) 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> H 0.51 W 0.48 C Shift Assignments>> CA :: 56.421 CB :: 31.024(D) CE1 :: 138.477(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>> HB2 :: 3.116(D) HB3 :: 3.116(D) HE1 :: 7.793(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) 1.G11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 174.091 CA :: 45.212(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.970(D) HA3 :: 3.970(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.432 CA :: 58.569(D) CB :: 64.085(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.255(D) HA :: 4.502(D) HB2 :: 3.863(D) HB3 :: 3.863(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 :: 115.957(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.77 R 0.2 G 0.01 C Shift Assignments>> C :: 175.388 CA :: 55.829(D) CB :: 34.291(D) CG :: 24.966(D) CD :: 29.613(D) CE :: 42.110(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 :: 8.552(D) HA :: 4.563(D) HB2 :: 1.742(D) HB3 :: 1.902(D) HG2 :: 1.523(D) HG3 :: 1.434(D) HD2 :: 1.640(D) HD3 :: 1.721(D) HE2 :: 2.914(D) HE3 :: 2.976(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 :: 122.745(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.939 CA :: 60.976(D) CB :: 70.806(D) CG2 :: 22.322(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 :: 7.948(D) HA :: 4.632(D) HB :: 3.860(D) HG21 :: 1.177(D) HG22 :: 1.177(D) HG23 :: 1.177(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 :: 116.520(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.64 G 0.33 R 0.02 C Shift Assignments>> C :: 173.826 CA :: 52.056(D) CB :: 43.565(D) CG :: 25.714(D) CD1 :: 25.949(D) CD2 :: 25.524(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 :: 8.159(D) HA :: 4.184(D) HB2 :: 0.283(S) HB3 :: 1.255(D) HG :: 1.405(D) HD11 :: 0.431(D) HD12 :: 0.431(D) HD13 :: 0.431(D) HD21 :: 0.217(D) HD22 :: 0.217(D) HD23 :: 0.217(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 :: 127.961(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.428 CA :: 63.533(D) CB :: 32.891(D) CG :: 27.938(D) CD :: 51.810(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 :: 4.407(D) HB2 :: 2.611(D) HB3 :: 1.955(D) HG2 :: 2.423(D) HG3 :: 2.180(D) HD2 :: 4.386(D) HD3 :: 3.576(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.D17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.23 L 0.16 D 0.14 K 0.11 I 0.04 N 0.02 C Shift Assignments>> C :: 178.335 CA :: 57.224(D) CB :: 40.749(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 :: 8.468(D) HA :: 4.209(D) HB2 :: 2.692(D) HB3 :: 2.692(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 :: 122.208(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> K 0.79 R 0.17 G 0.01 A 0.01 C Shift Assignments>> C :: 176.052 CA :: 57.459(D) CB :: 31.219(D) CG :: 23.087(D) CD :: 29.921(D) CE :: 41.867(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 :: 8.029(D) HA :: 4.216(D) HB2 :: 1.684(D) HB3 :: 1.684(D) HG2 :: 0.051(S) HG3 :: 0.936(D) HD2 :: 1.398(D) HD3 :: 1.457(D) HE2 :: 2.858(D) HE3 :: 2.858(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.743(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.57 Y 0.42 C Shift Assignments>> C :: 172.661 CA :: 59.754(D) CB :: 39.607(D) CD1 :: 130.956(D) CD2 :: 130.956(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.745(D) HA :: 4.184(D) HB2 :: 2.241(D) HB3 :: 2.680(D) HD1 :: 6.757(D) HD2 :: 6.757(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.906(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.86 R 0.08 A 0.04 G 0.01 C Shift Assignments>> C :: 177.121 CA :: 54.384(D) CB :: 41.986(D) CG :: 26.537(D) CD1 :: 23.594(D) CD2 :: 26.257(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 :: 7.263(D) HA :: 4.396(D) HB2 :: 2.045(D) HB3 :: 1.361(D) HG :: 1.649(D) HD11 :: 0.694(D) HD12 :: 0.694(D) HD13 :: 0.694(D) HD21 :: 1.039(D) HD22 :: 1.039(D) HD23 :: 1.039(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 :: 114.037(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.51 L 0.25 R 0.14 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.206 CA :: 44.459(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.753(D) HA2 :: 3.705(D) HA3 :: 4.036(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.148(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.I43 1.K49 1.I43 1.K49 C Shift Assignments>> C :: 172.936 CA :: 61.843(D) CB :: 70.556(D) CG2 :: 22.379(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 :: 8.309(D) HA :: 4.939(D) HB :: 3.763(D) HG21 :: 1.001(D) HG22 :: 1.001(D) HG23 :: 1.001(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.563(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.68 F 0.25 G 0.06 C Shift Assignments>> C :: 174.168 CA :: 55.636(D) CB :: 42.650(D) CD1 :: 133.219(D) CD2 :: 133.219(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.702(D) HA :: 5.285(D) HB2 :: 2.752(D) HB3 :: 2.982(D) HD1 :: 7.111(D) HD2 :: 7.111(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.040(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.61 R 0.35 G 0.02 C Shift Assignments>> C :: 176.165 CA :: 55.929(D) CB :: 36.507(D) CG :: 24.938(D) CD :: 29.609(D) CE :: 42.105(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 :: 9.130(D) HA :: 5.295(D) HB2 :: 2.013(D) HB3 :: 1.617(D) HG2 :: 1.446(D) HG3 :: 1.538(D) HD2 :: 1.658(D) HD3 :: 1.658(D) HE2 :: 2.986(D) HE3 :: 2.986(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 :: 126.441(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.5 L 0.28 G 0.14 A 0.05 C Shift Assignments>> C :: 175.665 CA :: 57.596(D) CB :: 43.029(D) CG :: 26.519(D) CD1 :: 21.433(D) CD2 :: 26.800(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 :: 9.371(D) HA :: 3.767(D) HB2 :: 1.576(D) HB3 :: 2.081(D) HG :: 1.237(D) HD11 :: 0.256(D) HD12 :: 0.256(D) HD13 :: 0.256(D) HD21 :: 0.923(D) HD22 :: 0.923(D) HD23 :: 0.923(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 :: 131.406(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.51 M 0.48 C Shift Assignments>> C :: 175.037 CA :: 57.227(D) CB :: 34.565(D) CG :: 37.601(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 :: 9.458(D) HA :: 4.654(D) HB2 :: 2.254(D) HB3 :: 2.062(D) HG2 :: 2.492(D) HG3 :: 2.135(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 :: 126.454(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.59 K 0.36 G 0.04 C Shift Assignments>> C :: 172.559 CA :: 54.921(D) CB :: 31.996(D) CG :: 26.313(D) CD :: 42.726(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 :: 7.651(D) HA :: 4.835(D) HB2 :: 1.896(D) HB3 :: 1.962(D) HG2 :: 1.142(D) HG3 :: 1.318(D) HD2 :: 2.929(D) HD3 :: 2.929(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 :: 112.107(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.D28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.11 D 0.01 C Shift Assignments>> C :: 174.282 CA :: 53.157(D) CB :: 45.569(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 :: 8.521(D) HA :: 5.146(D) HB2 :: 2.719(D) HB3 :: 2.719(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 :: 116.271(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 E 0.43 Q 0.01 C Shift Assignments>> C :: 176.994 CA :: 55.724(D) CB :: 33.108(D) CG :: 36.617(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 :: 8.647(D) HA :: 4.817(D) HB2 :: 2.084(D) HB3 :: 2.084(D) HG2 :: 2.188(D) HG3 :: 2.389(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 :: 115.737(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> D 0.34 N 0.18 L 0.18 F 0.12 Y 0.1 K 0.03 C Shift Assignments>> C :: 175.817 CA :: 54.434(D) CB :: 40.439(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.829(D) HB2 :: 3.932(S) HB3 :: 2.717(D) HD21 :: 8.057(D) HD22 :: 7.004(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>> ND2 :: 111.697(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.99 C Shift Assignments>> C :: 177.881 CA :: 60.209 CB :: 39.961(D) CD1 :: 131.307(D) CD2 :: 131.307(D) CE1 :: 130.799(D) CE2 :: 130.799(D) CZ :: 127.868(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.814(D) HA :: 4.818(D) HB2 :: 2.881(D) HB3 :: 2.854(D) HD1 :: 7.414(D) HD2 :: 7.414(D) HE1 :: 6.943(D) HE2 :: 6.943(D) HZ :: 6.727(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.872(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 R 0.21 F 0.19 L 0.14 Y 0.13 D 0.03 I 0.03 G 0.01 C Shift Assignments>> C :: 177.874 CA :: 58.598(D) CB :: 42.478(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 :: 8.770(D) HA :: 4.034(D) HB2 :: 2.603(D) HB3 :: 2.603(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 :: 118.291(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.7 E 0.25 K 0.02 C Shift Assignments>> C :: 180.219 CA :: 60.013(D) CB :: 28.228(D) CG :: 37.249(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 :: 8.351(D) HA :: 3.804(D) HB2 :: 2.027(D) HB3 :: 1.945(D) HG2 :: 2.508(D) HG3 :: 2.405(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 :: 116.335(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.69 Y 0.3 C Shift Assignments>> C :: 175.792 CA :: 62.024(D) CB :: 38.956(D) CD1 :: 131.299(D) CD2 :: 131.299(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.742(D) HA :: 3.978(D) HB2 :: 3.244(D) HB3 :: 2.880(D) HD1 :: 7.420(D) HD2 :: 7.420(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 :: 123.050(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.86 R 0.1 A 0.02 G 0.01 C Shift Assignments>> C :: 179.531 CA :: 57.492(D) CB :: 42.057(D) CG :: 26.213(D) CD1 :: 26.235(D) CD2 :: 22.287(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 :: 8.414(D) HA :: 3.576(D) HB2 :: 0.963(D) HB3 :: 1.849(D) HG :: 1.171(D) HD11 :: 0.132(D) HD12 :: 0.132(D) HD13 :: 0.132(D) HD21 :: 0.441(D) HD22 :: 0.441(D) HD23 :: 0.441(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 :: 119.822(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 0.8 R 0.18 C Shift Assignments>> C :: 180.836 CA :: 59.900(D) CB :: 32.723(D) CG :: 25.459(D) CD :: 29.964(D) CE :: 41.822(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 :: 8.346(D) HA :: 3.978(D) HB2 :: 1.758(D) HB3 :: 1.872(D) HG2 :: 1.235(D) HG3 :: 1.503(D) HD2 :: 1.622(D) HD3 :: 1.622(D) HE2 :: 2.885(D) HE3 :: 2.885(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.988(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 A 0.32 I 0.03 C Shift Assignments>> C :: 179.369 CA :: 55.105(D) CB :: 17.550(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.970(D) HA :: 4.107(D) HB1 :: 1.594(D) HB2 :: 1.594(D) HB3 :: 1.594(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.420(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> R 0.64 K 0.3 G 0.05 C Shift Assignments>> C :: 176.448 CA :: 54.494(D) CB :: 31.927(D) CG :: 27.672(D) CD :: 42.844(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 :: 8.048(D) HA :: 3.581(D) HB2 :: 1.521(D) HB3 :: 1.187(D) HG2 :: 1.255(D) HG3 :: 0.877(D) HD2 :: 1.929(S) HD3 :: 1.929(S) HE :: 5.621(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.276(D) NE :: 82.144(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.G39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.13 R 0.03 F 0.01 C Shift Assignments>> C :: 174.757 CA :: 45.056(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.498(D) HA2 :: 3.528(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 :: 105.772(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 177.349 CA :: 59.362(D) CB :: 39.157(D) CD1 :: 132.655(D) CD2 :: 132.655(D) CE1 :: 117.378(D) CE2 :: 117.378(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.606(D) HA :: 4.288(D) HB2 :: 2.330(D) HB3 :: 2.674(D) HD1 :: 6.968(D) HD2 :: 6.968(D) HE1 :: 6.486(D) HE2 :: 6.486(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 :: 119.494(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.39 L 0.28 R 0.2 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.252(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.023(D) HA2 :: 4.233(D) HA3 :: 3.979(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.367(D) Ave N Shift Values>> N :: 109.67(3.87) 1.W42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.99 C Shift Assignments>> C :: 177.915 CA :: 63.351(D) CB :: 29.404(D) CD1 :: 126.924(D) CE3 :: 120.492(D) CZ2 :: 114.829(D) CZ3 :: 121.921(D) CH2 :: 124.685(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>> HA :: 3.799(D) HB2 :: 3.296(D) HB3 :: 3.430(D) HD1 :: 7.222(D) HE1 :: 10.181(D) HE3 :: 7.442(D) HZ2 :: 7.401(D) HZ3 :: 7.104(D) HH2 :: 7.179(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>> NE1 :: 130.171(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> 1.T22 1.T22 C Shift Assignments>> C :: 178.716 CA :: 65.002(D) CB :: 37.411(D) CG1 :: 28.793(D) CG2 :: 16.799(D) CD1 :: 12.617(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 :: 8.251(D) HA :: 3.427(D) HB :: 1.810(D) HG12 :: 1.544(D) HG13 :: 1.139(D) HG21 :: 0.839(D) HG22 :: 0.839(D) HG23 :: 0.839(D) HD11 :: 0.900(D) HD12 :: 0.900(D) HD13 :: 0.900(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 :: 117.555(D) Ave N Shift Values>> N :: 121.46(4.28) 1.M44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.91 A 0.08 C Shift Assignments>> C :: 178.637 CA :: 56.206(D) CB :: 31.191(D) CG :: 32.554(D) CE :: 16.002(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 :: 7.789(D) HA :: 4.408(D) HB2 :: 1.898(D) HB3 :: 2.148(D) HG2 :: 2.756(D) HG3 :: 2.604(D) HE1 :: 1.999(D) HE2 :: 1.999(D) HE3 :: 1.999(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 :: 118.292(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.88 R 0.1 HN Overlap>> 1.R58 1.R58 C Shift Assignments>> C :: 177.956 CA :: 61.380(D) CB :: 28.894(D) CG :: 29.248(D) CD :: 44.260(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 :: 8.711(D) HA :: 3.563(D) HB2 :: 0.893(S) HB3 :: 1.953(D) HG2 :: 1.406(D) HG3 :: 1.785(D) HD2 :: 3.194(D) HD3 :: 2.838(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.200(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.Q46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.37 Q 0.28 R 0.26 M 0.04 E 0.01 I 0.01 C Shift Assignments>> C :: 177.463 CA :: 58.464(D) CB :: 27.995(D) CG :: 32.756(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.432(D) HA :: 3.661(D) HB2 :: 1.853(D) HB3 :: 1.803(D) HG2 :: 1.637(D) HG3 :: 1.689(D) HE21 :: 6.732(D) HE22 :: 6.459(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 :: 115.919(D) NE2 :: 112.159(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.494 CA :: 65.883(D) CB :: 32.187(D) CG1 :: 20.843(D) CG2 :: 22.286(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 :: 7.227(D) HA :: 3.419(D) HB :: 2.204(D) HG11 :: 0.802(D) HG12 :: 0.802(D) HG13 :: 0.802(D) HG21 :: 1.022(D) HG22 :: 1.022(D) HG23 :: 1.022(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 :: 117.532(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 178.310 CA :: 65.498(D) CB :: 38.482(D) CG1 :: 29.842(D) CG2 :: 18.896(D) CD1 :: 14.210(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 :: 8.101(D) HA :: 3.435(D) HB :: 1.370(D) HG12 :: 1.675(D) HG13 :: 0.689(D) HG21 :: 0.817(D) HG22 :: 0.817(D) HG23 :: 0.817(D) HD11 :: -0.036(D) HD12 :: -0.036(D) HD13 :: -0.036(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 :: 117.523(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.87 R 0.12 HN Overlap>> 1.T22 1.T22 C Shift Assignments>> C :: 177.722 CA :: 59.850(D) CB :: 32.076(D) CG :: 25.624(D) CD :: 29.288(D) CE :: 41.516(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 :: 8.338(D) HA :: 4.049(D) HB2 :: 1.895(D) HB3 :: 1.726(D) HG2 :: 1.493(D) HG3 :: 1.615(D) HD2 :: 1.731(D) HD3 :: 1.488(D) HE2 :: 2.867(D) HE3 :: 2.710(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.466(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.86 A 0.07 R 0.04 G 0.01 C Shift Assignments>> C :: 177.383 CA :: 55.013(D) CB :: 42.037(D) CG :: 27.288(D) CD1 :: 24.869(D) CD2 :: 22.710(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 :: 7.318(D) HA :: 4.266(D) HB2 :: 1.756(D) HB3 :: 1.568(D) HG :: 1.754(D) HD11 :: 0.830(D) HD12 :: 0.830(D) HD13 :: 0.830(D) HD21 :: 0.847(D) HD22 :: 0.847(D) HD23 :: 0.847(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 :: 116.104(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.74 M 0.24 C Shift Assignments>> C :: 178.566 CA :: 52.893(D) CB :: 18.095(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.017(D) HA :: 4.090(D) HB1 :: 1.402(D) HB2 :: 1.402(D) HB3 :: 1.402(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.422(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 173.582 CA :: 45.156(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.352(D) HA2 :: 4.257(D) HA3 :: 3.667(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.009(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 174.441 CA :: 62.355(D) CB :: 37.001(D) CG1 :: 21.827(D) CG2 :: 21.657(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 :: 7.128(D) HA :: 4.836(D) HB :: 2.178(D) HG11 :: 0.959(D) HG12 :: 0.959(D) HG13 :: 0.959(D) HG21 :: 1.068(D) HG22 :: 1.068(D) HG23 :: 1.068(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 :: 118.673(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.636 CA :: 62.030(D) CB :: 71.595(D) CG2 :: 22.240(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 :: 9.405(D) HA :: 5.275(D) HB :: 4.097(D) HG21 :: 1.069(D) HG22 :: 1.069(D) HG23 :: 1.069(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 :: 126.039(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> R 0.8 G 0.17 K 0.01 C Shift Assignments>> C :: 175.994 CA :: 54.482(D) CB :: 36.897(D) CG :: 26.544(D) CD :: 30.052(D) CE :: 43.552(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 :: 9.506(D) HA :: 5.420(D) HB2 :: 1.388(D) HB3 :: 1.388(D) HG2 :: 1.872(D) HG3 :: 0.903(D) HD2 :: 0.604(S) HD3 :: 1.389(D) HE2 :: 2.588(D) HE3 :: 3.282(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.454(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.59 K 0.38 G 0.01 C Shift Assignments>> C :: 175.030 CA :: 54.929(D) CB :: 36.657(D) CG :: 25.715(D) CD :: 29.883(D) CE :: 41.923(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 :: 8.822(D) HA :: 5.655(D) HB2 :: 1.461(D) HB3 :: 1.659(D) HG2 :: 1.544(D) HG3 :: 1.198(D) HD3 :: 1.490(D) HE3 :: 2.731(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 :: 119.926(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.76 G 0.23 C Shift Assignments>> C :: 176.036 CA :: 57.353(D) CB :: 43.715(D) CD1 :: 131.064(D) CD2 :: 131.064(D) CE1 :: 130.900(D) CE2 :: 130.900(D) CZ :: 128.893(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.933(D) HA :: 5.299(D) HB2 :: 2.642(D) HB3 :: 3.827(D) HD1 :: 7.010(D) HD2 :: 7.010(D) HE1 :: 6.565(D) HE2 :: 6.565(D) HZ :: 6.252(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.890(D) Ave N Shift Values>> N :: 120.45(4.18) 1.R58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.58 K 0.29 G 0.12 HN Overlap>> 1.R45 1.R45 C Shift Assignments>> C :: 175.735 CA :: 54.619(D) CB :: 33.577(D) CG :: 26.550(D) CD :: 43.101(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 :: 8.728(D) HA :: 5.023(D) HB2 :: 2.017(D) HB3 :: 1.778(D) HG2 :: 1.429(D) HG3 :: 1.429(D) HD2 :: 3.239(D) HD3 :: 3.239(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.305(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.N59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 F 0.22 N 0.21 D 0.16 L 0.07 I 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 175.575 CA :: 55.660(D) CB :: 38.863(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 :: 8.629(D) HA :: 4.384(D) HB2 :: 2.374(D) HB3 :: 2.762(D) HD21 :: 7.774(D) HD22 :: 7.093(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 :: 119.781(D) ND2 :: 113.040(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.71 M 0.27 C Shift Assignments>> C :: 179.823 CA :: 52.987(D) CB :: 17.914(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.215(D) HA :: 3.762(D) HB1 :: 1.028(D) HB2 :: 1.028(D) HB3 :: 1.028(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.942(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.49 M 0.48 I 0.02 C Shift Assignments>> C :: 179.117 CA :: 54.488(D) CB :: 17.961(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.831(D) HA :: 3.995(D) HB1 :: 1.382(D) HB2 :: 1.382(D) HB3 :: 1.382(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.247(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.423 CA :: 59.319(D) CB :: 63.117(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.475(D) HA :: 4.028(D) HB2 :: 3.927(D) HB3 :: 3.815(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.132(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.13 R 0.02 F 0.01 C Shift Assignments>> C :: 174.450 CA :: 45.095(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.839(D) HA2 :: 4.070(D) HA3 :: 3.641(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.551(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.65 R 0.32 G 0.01 C Shift Assignments>> CA :: 55.090(D) CB :: 32.755(D) CG :: 25.852(D) CD :: 29.477(D) CE :: 42.091(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 :: 7.392(D) HA :: 4.186(D) HB2 :: 1.091(D) HB3 :: 1.577(D) HG2 :: 1.328(D) HG3 :: 1.328(D) HD2 :: 1.547(D) HD3 :: 1.427(D) HE2 :: 2.817(D) HE3 :: 2.817(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 :: 122.381(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.509 CA :: 62.876(D) CB :: 31.932(D) CG :: 27.377(D) CD :: 50.811(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 :: 4.194(D) HB2 :: 2.136(D) HB3 :: 1.741(D) HG2 :: 1.958(D) HG3 :: 1.958(D) HD2 :: 3.531(D) HD3 :: 3.824(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.D66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.23 D 0.21 Y 0.2 F 0.2 L 0.09 I 0.02 C Shift Assignments>> C :: 173.728 CA :: 55.342(D) CB :: 39.205(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 :: 8.418(D) HA :: 4.129(D) HB2 :: 2.865(D) HB3 :: 2.808(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 :: 116.087(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.52 R 0.31 G 0.16 C Shift Assignments>> C :: 175.309 CA :: 53.631(D) CB :: 33.475(D) CG :: 28.913(D) CD :: 43.125(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 :: 6.552(D) HA :: 4.838(D) HB2 :: 0.918(D) HB3 :: 1.008(D) HG2 :: 1.137(D) HG3 :: 1.342(D) HD2 :: 2.646(D) HD3 :: 2.805(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 :: 113.517(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.Y68 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> K 0.25 F 0.19 R 0.17 L 0.14 Y 0.13 D 0.04 I 0.03 C Shift Assignments>> C :: 171.854 CA :: 58.488(D) CB :: 42.326(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 :: 8.694(D) HA :: 4.391(D) HB2 :: -0.494(A) HB3 :: 2.066(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 :: 120.868(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.47 L 0.24 R 0.12 D 0.11 F 0.01 N 0.01 C Shift Assignments>> C :: 175.978 CA :: 51.677(D) CB :: 43.820(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 :: 8.255(D) HA :: 5.732(S) HB2 :: 2.768(D) HB3 :: 2.421(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 :: 112.530(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 E 0.38 C Shift Assignments>> C :: 174.675 CA :: 54.517(D) CB :: 37.604(D) CG :: 33.083(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 :: 9.487(D) HA :: 5.548(D) HB2 :: 2.130(D) HB3 :: 1.812(D) HG2 :: 1.952(D) HG3 :: 1.654(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 :: 119.654(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 E 0.39 C Shift Assignments>> C :: 175.112 CA :: 55.202 CB :: 34.489(D) CG :: 37.262(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 :: 9.024(D) HA :: 4.802(D) HB2 :: 1.977(D) HB3 :: 1.475(D) HG2 :: 1.751(D) HG3 :: 1.751(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 :: 123.660(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 L 0.26 K 0.11 N 0.11 F 0.06 Y 0.04 R 0.03 C Shift Assignments>> C :: 173.907 CA :: 53.121(D) CB :: 41.696(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.531(D) HA :: 5.168(D) HB2 :: 3.143(D) HB3 :: 2.059(D) HD21 :: 8.427(D) HD22 :: 6.362(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 :: 119.715(D) ND2 :: 115.357(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.93 A 0.03 R 0.02 C Shift Assignments>> C :: 177.591 CA :: 53.058(D) CB :: 41.486(D) CG :: 26.932(D) CD1 :: 24.018(D) CD2 :: 25.882(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 :: 9.259(D) HA :: 5.382(D) HB2 :: 1.459(D) HB3 :: 1.809(D) HG :: 1.468(D) HD11 :: 0.829(D) HD12 :: 0.829(D) HD13 :: 0.829(D) HD21 :: 0.774(D) HD22 :: 0.774(D) HD23 :: 0.774(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 :: 123.095(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.397 CA :: 59.415(D) CB :: 72.724(D) CG2 :: 21.835(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 :: 8.698(D) HA :: 5.986(D) HB :: 4.579(D) HG1 :: 6.723(D) HG21 :: 1.367(D) HG22 :: 1.367(D) HG23 :: 1.367(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.475(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.922 CA :: 64.207(D) CB :: 68.623(D) CG2 :: 23.194(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 :: 8.021(D) HA :: 4.112(D) HB :: 4.370(D) HG21 :: 1.372(D) HG22 :: 1.372(D) HG23 :: 1.372(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.197(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.8 R 0.14 A 0.03 G 0.01 C Shift Assignments>> C :: 175.371 CA :: 55.037(D) CB :: 34.780(D) CG :: 23.848(D) CD :: 27.669(D) CE :: 41.821(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 :: 7.563(D) HA :: 4.526(D) HB2 :: 1.435(D) HB3 :: 1.710(D) HG2 :: 1.263(D) HG3 :: 1.263(D) HD2 :: 1.606(D) HD3 :: 1.606(D) HE2 :: 2.818(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 :: 117.278(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.73 R 0.23 G 0.03 C Shift Assignments>> C :: 173.428 CA :: 56.551(D) CB :: 34.791(D) CG :: 24.776(D) CD :: 29.107(D) CE :: 42.622(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 :: 7.005(D) HA :: 4.307(D) HB2 :: 1.448(D) HB3 :: 1.991(D) HG2 :: 1.272(D) HG3 :: 1.695(D) HD2 :: 1.634(D) HD3 :: 1.821(D) HE2 :: 2.997(D) HE3 :: 2.808(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 :: 119.682(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.33 G 0.28 R 0.18 D 0.13 F 0.02 Y 0.01 K 0.01 N 0.01 C Shift Assignments>> C :: 177.085 CA :: 52.795(D) CB :: 43.824(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 :: 8.591(D) HA :: 5.978(S) HB2 :: 2.446(D) HB3 :: 2.877(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 :: 127.254(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.266 CA :: 60.558(D) CB :: 71.462(D) CG2 :: 22.057(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 :: 9.401(D) HA :: 4.484(D) HB :: 4.029(D) HG1 :: 4.285(D) HG21 :: 1.007(D) HG22 :: 1.007(D) HG23 :: 1.007(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 :: 110.570(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.57 W 0.42 C Shift Assignments>> C :: 172.623 CA :: 54.132(D) CB :: 30.946(D) CD2 :: 121.960(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 :: 8.065(D) HA :: 4.921(D) HB3 :: 3.052(D) HD2 :: 6.502(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 :: 121.346(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.91 H 0.08 C Shift Assignments>> C :: 174.997 CA :: 53.599(D) CB :: 29.876(D) CD2 :: 130.227(D) CE1 :: 140.544(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 :: 9.426(D) HA :: 5.410(D) HB2 :: 3.545(D) HB3 :: 3.395(D) HD1 :: 13.445(D) HD2 :: 7.351(D) HE1 :: 7.937(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 :: 125.696(D) ND1 :: 169.021(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.91 R 0.08 C Shift Assignments>> C :: 176.003 CA :: 55.452(D) CB :: 35.487(D) CG :: 24.834(D) CD :: 29.192(D) CE :: 41.372(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 :: 9.083(D) HA :: 5.096(D) HB3 :: 1.539(D) HG2 :: 1.042(D) HD3 :: 1.390(D) HE3 :: 2.472(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.666(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.24 F 0.22 Y 0.2 L 0.15 N 0.12 I 0.02 K 0.01 C Shift Assignments>> C :: 175.273 CA :: 55.776(D) CB :: 39.929(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 :: 8.981(D) HA :: 3.894(D) HB2 :: 3.009(D) HB3 :: 2.557(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 :: 121.242(D) Ave N Shift Values>> N :: 120.65(3.86) 1.W84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.99 C Shift Assignments>> C :: 175.483 CA :: 54.330(D) CB :: 32.443(D) CD1 :: 127.909(D) CZ2 :: 112.955(D) CZ3 :: 122.381(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 :: 8.857(D) HA :: 5.046(D) HB2 :: 3.730(D) HB3 :: 2.328(D) HD1 :: 6.364(D) HE1 :: 7.958(D) HZ2 :: 6.513(D) HZ3 :: 6.186(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 :: 118.909(D) NE1 :: 123.640(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.74 L 0.19 G 0.05 C Shift Assignments>> C :: 179.283 CA :: 49.416(D) CB :: 22.314(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.102(D) HA :: 5.213(D) HB1 :: 1.476(D) HB2 :: 1.476(D) HB3 :: 1.476(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.645(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.92 R 0.06 C Shift Assignments>> C :: 178.751 CA :: 56.040(D) CB :: 41.243(D) CG :: 27.439(D) CD1 :: 26.041(D) CD2 :: 24.055(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 :: 9.643(D) HA :: 4.632(D) HB2 :: 1.897(D) HB3 :: 1.549(D) HG :: 1.902(D) HD11 :: 0.730(D) HD12 :: 0.730(D) HD13 :: 0.730(D) HD21 :: 0.792(D) HD22 :: 0.792(D) HD23 :: 0.792(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 :: 124.498(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 172.904 CA :: 45.471(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.061(D) HA2 :: 3.507(D) HA3 :: 4.236(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.765(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.51 M 0.46 Q 0.01 C Shift Assignments>> C :: 174.965 CA :: 55.181(D) CB :: 32.129(D) CG :: 36.941(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 :: 7.835(D) HA :: 4.777(D) HB2 :: 1.962(D) HB3 :: 2.571(D) HG2 :: 2.346(D) HG3 :: 2.200(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 :: 121.281(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> E 0.62 M 0.31 I 0.05 C Shift Assignments>> C :: 175.396 CA :: 57.359(D) CB :: 31.936(D) CG :: 37.860(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 :: 8.882(D) HA :: 4.742(D) HB2 :: 1.841(D) HB3 :: 1.906(D) HG2 :: 1.850(D) HG3 :: 1.721(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 :: 134.415(S) Ave N Shift Values>> N :: 120.67(3.48) 1.F90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.97 G 0.02 C Shift Assignments>> C :: 171.418 CA :: 55.677(D) CB :: 41.852(D) CD1 :: 133.305(D) CD2 :: 133.305(D) CE1 :: 130.590(D) CE2 :: 130.590(D) CZ :: 128.485(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.991(D) HA :: 5.112(D) HB2 :: 3.239(D) HB3 :: 3.239(D) HD1 :: 7.341(D) HD2 :: 7.341(D) HE1 :: 7.050(D) HE2 :: 7.050(D) HZ :: 6.617(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.037(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.48 Q 0.31 E 0.13 K 0.06 C Shift Assignments>> C :: 175.296 CA :: 53.912(D) CB :: 31.132(D) CG :: 34.456(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 :: 8.805(D) HA :: 5.500(D) HB2 :: 1.904(D) HB3 :: 1.959(D) HG2 :: 1.971(D) HG3 :: 2.466(D) HE21 :: 6.883(D) HE22 :: 8.040(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 :: 121.094(D) NE2 :: 112.683(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.627 CA :: 52.715(D) CB :: 45.771(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 :: 9.093(D) HA :: 5.173(D) HB2 :: 2.601(D) HB3 :: 3.237(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 :: 124.053(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.7 M 0.17 I 0.05 K 0.04 Q 0.02 C Shift Assignments>> C :: 175.017 CA :: 56.489(D) CB :: 30.587(D) CG :: 36.955(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 :: 8.352(D) HA :: 4.355(D) HB2 :: 1.907(D) HB3 :: 1.907(D) HG2 :: 1.958(D) HG3 :: 2.551(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 :: 121.377(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.96 M 0.02 C Shift Assignments>> C :: 178.561 CA :: 50.483(D) CB :: 19.803(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.209(D) HA :: 4.665(D) HB1 :: 0.821(D) HB2 :: 0.821(D) HB3 :: 0.821(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.753(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.64 R 0.3 G 0.04 C Shift Assignments>> C :: 176.088 CA :: 57.528(D) CB :: 42.741(D) CG :: 27.413(D) CD1 :: 24.832(D) CD2 :: 26.107(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 :: 9.231(D) HA :: 3.642(D) HB2 :: 1.723(D) HB3 :: 1.240(D) HG :: 1.819(D) HD11 :: 0.808(D) HD12 :: 0.808(D) HD13 :: 0.808(D) HD21 :: 0.818(D) HD22 :: 0.818(D) HD23 :: 0.818(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 :: 120.582(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.3 L 0.1 F 0.09 Y 0.08 C Shift Assignments>> C :: 176.346 CA :: 53.394(D) CB :: 39.725(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 :: 7.126(D) HA :: 4.212(D) HB2 :: 2.493(D) HB3 :: 3.157(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 :: 113.328(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.228 CA :: 60.956(D) CB :: 60.892(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.293(D) HA :: 4.254(D) HB2 :: 4.119(D) HB3 :: 4.413(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 :: 107.403(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.147 CA :: 60.070(D) CB :: 71.775(D) CG2 :: 21.654(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 :: 8.260(D) HA :: 4.889(D) HB :: 4.330(D) HG21 :: 1.065(D) HG22 :: 1.065(D) HG23 :: 1.065(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 :: 112.678(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.42 K 0.37 M 0.09 R 0.05 E 0.05 C Shift Assignments>> C :: 176.668 CA :: 54.979(D) CB :: 29.233(D) CG :: 33.544(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 :: 8.560(D) HA :: 4.534(D) HB2 :: 1.926(D) HB3 :: 2.022(D) HG2 :: 2.393(D) HG3 :: 2.393(D) HE21 :: 7.891(D) HE22 :: 7.018(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 :: 115.340(D) NE2 :: 114.218(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.54 H 0.27 W 0.17 C Shift Assignments>> C :: 174.697 CA :: 52.852(D) CB :: 35.461(D) CD2 :: 116.063(D) CE1 :: 134.670(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 :: 9.427(D) HA :: 5.459(D) HB2 :: 2.770(D) HB3 :: 2.770(D) HD2 :: 7.040(D) HE1 :: 8.301(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 :: 123.015(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.79 R 0.19 C Shift Assignments>> C :: 175.830 CA :: 55.425(D) CB :: 32.554(D) CG :: 25.228(D) CD :: 29.264(D) CE :: 41.996(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 :: 9.361(D) HA :: 4.702(D) HB2 :: 1.567(D) HB3 :: 1.388(D) HG2 :: 1.231(D) HG3 :: 1.137(D) HE2 :: 2.813(D) HE3 :: 2.813(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 :: 119.915(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 173.655 CA :: 58.975(D) CB :: 39.555(D) CG1 :: 27.392(D) CG2 :: 16.630(D) CD1 :: 13.766(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 :: 8.942(D) HA :: 4.601(D) HB :: -0.232(S) HG12 :: 0.856(D) HG13 :: -0.733(S) HG21 :: -0.481(S) HG22 :: -0.481(S) HG23 :: -0.481(S) HD11 :: 0.076(D) HD12 :: 0.076(D) HD13 :: 0.076(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 :: 128.653(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.268 CA :: 61.816(D) CB :: 71.634(D) CG2 :: 20.661(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 :: 7.796(D) HA :: 4.292(D) HB :: 3.525(D) HG21 :: 0.873(D) HG22 :: 0.873(D) HG23 :: 0.873(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 :: 116.914(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.62 Y 0.36 C Shift Assignments>> C :: 175.225 CA :: 56.997(D) CB :: 41.747(D) CD1 :: 130.748(D) CD2 :: 130.748(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 10.122(D) HA :: 5.683(D) HB2 :: 2.355(D) HB3 :: 2.355(D) HD1 :: 6.366(D) HD2 :: 6.366(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 132.890(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.61 L 0.24 R 0.07 D 0.05 F 0.01 C Shift Assignments>> C :: 173.132 CA :: 53.193(D) CB :: 44.661(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 :: 9.173(D) HA :: 4.880(D) HB2 :: 2.460(D) HB3 :: 2.265(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 :: 121.700(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.83 G 0.09 R 0.05 A 0.01 C Shift Assignments>> C :: 176.689 CA :: 53.071(D) CB :: 43.122(D) CG :: 26.762(D) CD1 :: 25.576(D) CD2 :: 24.492(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 :: 9.023(D) HA :: 5.089(D) HB2 :: 1.240(D) HB3 :: 1.694(D) HG :: 1.506(D) HD11 :: 0.839(D) HD12 :: 0.839(D) HD13 :: 0.839(D) HD21 :: 0.796(D) HD22 :: 0.796(D) HD23 :: 0.796(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.093(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.86 R 0.12 C Shift Assignments>> C :: 176.337 CA :: 58.485(D) CB :: 34.145(D) CG :: 24.858(D) CD :: 29.614(D) CE :: 41.834(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 :: 8.377(D) HA :: 4.077(D) HB2 :: 1.797(D) HB3 :: 1.546(D) HG2 :: 1.441(D) HG3 :: 1.354(D) HD2 :: 1.537(D) HD3 :: 1.537(D) HE2 :: 2.909(D) HE3 :: 2.909(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 :: 128.144(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.42 D 0.33 L 0.11 F 0.06 Y 0.05 C Shift Assignments>> C :: 173.784 CA :: 52.500(D) CB :: 40.059(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 :: 8.433(D) HA :: 4.561(D) HB2 :: 3.095(D) HB3 :: 2.936(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 :: 115.780(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.719 CA :: 65.671(D) CB :: 32.370(D) CG :: 27.959(D) CD :: 50.820(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 :: 4.304(D) HB2 :: 2.512(D) HB3 :: 1.725(D) HG2 :: 1.931(D) HG3 :: 2.088(D) HD2 :: 3.605(D) HD3 :: 3.806(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.N110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 L 0.25 N 0.14 K 0.09 F 0.04 R 0.03 Y 0.03 C Shift Assignments>> C :: 175.657 CA :: 52.257(D) CB :: 41.747(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 :: 8.304(D) HA :: 5.021(D) HB2 :: 3.013(D) HB3 :: 2.700(D) HD21 :: 7.795(D) HD22 :: 7.091(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 :: 110.362(D) ND2 :: 115.259(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.893 CA :: 62.732(D) CB :: 70.128(D) CG2 :: 20.669(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 :: 7.850(D) HA :: 5.138(D) HB :: 3.814(D) HG21 :: 1.006(D) HG22 :: 1.006(D) HG23 :: 1.006(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 :: 118.427(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.47 G 0.45 R 0.04 A 0.03 C Shift Assignments>> C :: 175.422 CA :: 53.189(D) CB :: 44.548(D) CG :: 27.024(D) CD1 :: 26.329(D) CD2 :: 23.678(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 :: 8.574(D) HA :: 4.893(D) HB2 :: 1.209(D) HB3 :: -0.068(S) HG :: 1.319(D) HD11 :: -0.034(D) HD12 :: -0.034(D) HD13 :: -0.034(D) HD21 :: 0.629(D) HD22 :: 0.629(D) HD23 :: 0.629(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 :: 132.373(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.172 CA :: 59.292(D) CB :: 70.736(D) CG2 :: 22.269(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 :: 9.872(D) HA :: 5.523(D) HB :: 4.112(D) HG21 :: 1.087(D) HG22 :: 1.087(D) HG23 :: 1.087(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.491(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.34 Q 0.28 K 0.19 H 0.05 R 0.04 W 0.02 N 0.01 Y 0.01 C Shift Assignments>> C :: 174.748 CA :: 54.378(D) CB :: 34.339(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 :: 8.717(D) HA :: 4.294(D) HB2 :: 2.105(D) HB3 :: 2.105(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.865(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.813 CA :: 62.739(D) CB :: 70.237(D) CG2 :: 20.928(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 :: 8.746(D) HA :: 4.912(D) HB :: 3.659(D) HG21 :: 0.947(D) HG22 :: 0.947(D) HG23 :: 0.947(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 :: 125.108(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.69 W 0.3 C Shift Assignments>> C :: 174.348 CA :: 55.312(D) CB :: 31.668(D) CD2 :: 117.891(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 :: 9.414(D) HA :: 4.577(D) HB2 :: 2.783(D) HB3 :: 2.783(D) HD2 :: 6.143(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 :: 124.516(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 176.705 CA :: 60.173(D) CB :: 40.971(D) CG1 :: 27.536(D) CG2 :: 16.627(D) CD1 :: 13.824(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 :: 9.096(D) HA :: 4.834(D) HB :: 1.585(D) HG12 :: 1.375(D) HG13 :: 1.001(D) HG21 :: 0.809(D) HG22 :: 0.809(D) HG23 :: 0.809(D) HD11 :: 0.792(D) HD12 :: 0.792(D) HD13 :: 0.792(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.469(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.54 R 0.43 G 0.02 C Shift Assignments>> C :: 177.128 CA :: 58.564(D) CB :: 31.630(D) CG :: 25.930(D) CD :: 29.381(D) CE :: 42.484(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 :: 7.499(D) HA :: 3.825(D) HB2 :: 1.793(D) HB3 :: 2.029(D) HG2 :: 1.342(D) HG3 :: 0.706(D) HD2 :: 1.604(D) HD3 :: 1.406(D) HE2 :: 2.719(D) HE3 :: 2.845(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 :: 127.222(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.975 CA :: 66.496(D) CB :: 31.308(D) CG1 :: 20.875(D) CG2 :: 23.852(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 :: 7.926(D) HA :: 3.474(D) HB :: 1.941(D) HG11 :: 0.856(D) HG12 :: 0.856(D) HG13 :: 0.856(D) HG21 :: 0.780(D) HG22 :: 0.780(D) HG23 :: 0.780(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 :: 125.841(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.22 F 0.14 Y 0.11 K 0.1 N 0.08 C Shift Assignments>> C :: 176.202 CA :: 55.171(D) CB :: 40.906(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 :: 8.809(D) HA :: 4.486(D) HB2 :: 2.764(D) HB3 :: 2.501(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 :: 115.385(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.34 L 0.14 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 172.601 CA :: 51.869(D) CB :: 40.682(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 :: 6.707(D) HA :: 4.798(D) HB2 :: 2.547(D) HB3 :: 2.718(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 :: 112.574(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.504 CA :: 63.917(D) CB :: 31.675(D) CG :: 27.015(D) CD :: 50.313(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 :: 4.492(D) HB2 :: 2.219(D) HB3 :: 1.940(D) HG2 :: 2.006(D) HG3 :: 1.932(D) HD2 :: 3.796(D) HD3 :: 3.493(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.T123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.650 CA :: 62.640(D) CB :: 69.100(D) CG2 :: 21.748(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 :: 7.573(D) HA :: 4.313(D) HB :: 4.348(D) HG21 :: 1.214(D) HG22 :: 1.214(D) HG23 :: 1.214(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 :: 107.026(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.23 K 0.11 F 0.1 N 0.1 Y 0.08 R 0.01 C Shift Assignments>> C :: 172.454 CA :: 54.475(D) CB :: 41.126(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 :: 8.456(D) HA :: 4.646(D) HB2 :: 2.275(D) HB3 :: 3.232(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 :: 127.075(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 174.986 CA :: 60.175(D) CB :: 34.662(D) CG1 :: 20.949(D) CG2 :: 20.108(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 :: 7.174(D) HA :: 4.896(D) HB :: 1.891(D) HG11 :: 0.862(D) HG12 :: 0.862(D) HG13 :: 0.862(D) HG21 :: 0.787(D) HG22 :: 0.787(D) HG23 :: 0.787(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.585(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 E 0.42 C Shift Assignments>> C :: 173.679 CA :: 55.756(D) CB :: 33.686(D) CG :: 36.878(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 :: 8.740(D) HA :: 4.854(D) HB2 :: 1.816(D) HB3 :: 1.998(D) HG2 :: 2.848(D) HG3 :: 2.257(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 :: 127.368(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.085 CA :: 62.121(D) CB :: 71.355(D) CG2 :: 22.790(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 :: 8.916(D) HA :: 4.912(D) HB :: 3.826(D) HG21 :: 1.129(D) HG22 :: 1.129(D) HG23 :: 1.129(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 :: 122.873(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 175.486 CA :: 52.838(D) CB :: 39.055(D) CD1 :: 131.935(D) CD2 :: 131.935(D) CE1 :: 117.517(D) CE2 :: 117.517(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 :: 9.129(D) HA :: 5.255(D) HB2 :: 2.794(D) HB3 :: 2.794(D) HD1 :: 6.949(D) HD2 :: 6.949(D) HE1 :: 6.374(D) HE2 :: 6.374(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 :: 130.617(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.63 E 0.35 Q 0.01 C Shift Assignments>> C :: 174.868 CA :: 54.828(D) CB :: 33.504(D) CG :: 36.565(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 :: 8.375(D) HA :: 5.050(D) HB2 :: 1.886(D) HB3 :: 1.756(D) HG2 :: 2.259(D) HG3 :: 2.259(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.470(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 174.955 CA :: 56.922(D) CB :: 41.426(D) CD1 :: 132.319(D) CD2 :: 132.319(D) CE1 :: 117.514(D) CE2 :: 117.514(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 :: 10.006(D) HA :: 5.738(D) HB2 :: 2.894(D) HB3 :: 2.666(D) HD1 :: 6.773(D) HD2 :: 6.773(D) HE1 :: 7.100(D) HE2 :: 7.100(D) HH :: 10.287(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 :: 122.111(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.42 R 0.31 K 0.26 C Shift Assignments>> C :: 175.322 CA :: 54.366(D) CB :: 35.159(D) CG :: 27.849(D) CD :: 43.452(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 :: 8.856(D) HA :: 5.173(D) HB2 :: 1.679(D) HB3 :: 1.943(D) HG2 :: 1.973(D) HG3 :: 1.525(D) HD2 :: 3.065(D) HD3 :: 3.135(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.116(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.R132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.7 L 0.22 R 0.06 C Shift Assignments>> C :: 176.000 CA :: 52.652(D) CB :: 29.752(D) CG :: 25.860(D) CD :: 40.523(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 :: 9.444(D) HA :: 5.158(D) HB2 :: 1.716(D) HB3 :: 1.382(D) HG2 :: 0.843(D) HG3 :: 1.080(D) HD2 :: 3.150(D) HD3 :: 3.024(D) HE :: 6.628(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 :: 120.893(D) NE :: 79.805(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.D133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.23 D 0.2 G 0.06 K 0.05 F 0.04 Y 0.02 N 0.02 C Shift Assignments>> C :: 176.215 CA :: 53.455(D) CB :: 43.147(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 :: 8.586(D) HA :: 4.805(D) HB2 :: 2.416(D) HB3 :: 2.802(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 :: 124.282(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 47.053(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.013(D) HA2 :: 3.770(D) HA3 :: 4.136(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.039(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> D 0.27 L 0.22 F 0.16 Y 0.13 K 0.1 N 0.07 I 0.01 C Shift Assignments>> C :: 173.153 CA :: 55.445(D) CB :: 40.872(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> HA :: 4.674(D) HB2 :: 2.951(D) HB3 :: 2.265(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.Y136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 176.876 CA :: 58.109(D) CB :: 40.751(D) CD1 :: 133.054(D) CD2 :: 133.054(D) CE1 :: 117.975(D) CE2 :: 117.975(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 :: 8.376(D) HA :: 5.391(D) HB2 :: 2.880(D) HB3 :: 3.281(D) HD1 :: 7.126(D) HD2 :: 7.126(D) HE1 :: 6.848(D) HE2 :: 6.848(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 :: 115.117(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L137 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.51 G 0.44 A 0.02 R 0.01 C Shift Assignments>> C :: 174.319 CA :: 54.360(D) CB :: 44.804(D) CG :: 26.782(D) CD1 :: 25.495(D) CD2 :: 23.560(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 :: 9.998(D) HA :: 4.748(D) HB2 :: 0.419(S) HB3 :: 1.695(D) HG :: 1.302(D) HD11 :: 0.233(D) HD12 :: 0.233(D) HD13 :: 0.233(D) HD21 :: 0.497(D) HD22 :: 0.497(D) HD23 :: 0.497(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 :: 127.764(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 175.304 CA :: 61.167(D) CB :: 33.117(D) CG1 :: 21.710(D) CG2 :: 20.452(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 :: 9.708(D) HA :: 4.760(D) HB :: 1.864(D) HG11 :: 0.826(D) HG12 :: 0.826(D) HG13 :: 0.826(D) HG21 :: 0.316(D) HG22 :: 0.316(D) HG23 :: 0.316(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 :: 129.462(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> M 0.61 E 0.37 Q 0.01 C Shift Assignments>> C :: 173.915 CA :: 53.463(D) CB :: 36.995(D) CG :: 32.401(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 :: 9.412(D) HA :: 5.206(D) HB2 :: 1.543(D) HB3 :: 2.045(D) HG2 :: 1.030(S) HG3 :: 1.647(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 :: 130.006(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.98 A 0.01 C Shift Assignments>> C :: 176.618 CA :: 54.551(D) CB :: 35.742(D) CG :: 24.960(D) CD :: 29.679(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 :: 9.484(D) HA :: 5.412(D) HB2 :: 1.611(D) HB3 :: 1.697(D) HG2 :: 1.429(D) HG3 :: 1.207(D) HD2 :: 1.540(D) HD3 :: 1.540(D) HE2 :: 2.813(D) HE3 :: 2.813(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 :: 128.818(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 E 0.28 Q 0.09 C Shift Assignments>> C :: 174.958 CA :: 53.910(D) CB :: 35.607(D) CG :: 32.009(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 :: 8.416(D) HA :: 5.108(D) HB2 :: 1.956(D) HB3 :: 0.947(D) HG2 :: 1.701(D) HG3 :: 1.854(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.549(D) Ave N Shift Values>> N :: 120.09(3.57) 1.S142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.145 CA :: 57.519(D) CB :: 65.706(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.160(D) HA :: 5.706(D) HB2 :: 3.651(D) HB3 :: 3.759(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 :: 117.171(D) Ave N Shift Values>> N :: 116.28(3.52) 1.W143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.99 C Shift Assignments>> C :: 174.791 CA :: 57.047(D) CB :: 33.561(D) CD1 :: 125.478(D) CE3 :: 120.906(D) CZ2 :: 114.821(D) CZ3 :: 122.793(D) CH2 :: 126.122(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 :: 9.160(D) HA :: 4.953(D) HB2 :: 2.815(D) HB3 :: 3.378(D) HD1 :: 6.533(D) HE1 :: 10.069(D) HE3 :: 7.988(D) HZ2 :: 7.404(D) HZ3 :: 7.337(D) HH2 :: 7.216(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 :: 126.683(D) NE1 :: 127.410(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.6 R 0.36 G 0.02 C Shift Assignments>> C :: 176.420 CA :: 57.040(D) CB :: 30.142(D) CG :: 25.010(D) CD :: 29.194(D) CE :: 42.376(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 :: 8.487(D) HA :: 3.448(D) HB2 :: 1.822(D) HB3 :: 1.570(D) HG2 :: 0.612(D) HG3 :: 0.612(D) HD2 :: 1.493(D) HD3 :: 1.493(D) HE2 :: 2.750(D) HE3 :: 2.860(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 :: 123.268(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 174.192 CA :: 45.235(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.524(D) HA2 :: 3.479(D) HA3 :: 4.108(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.583(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 174.952 CA :: 62.617(D) CB :: 32.562(D) CG1 :: 21.357(D) CG2 :: 21.109(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.167(D) HA :: 4.171(D) HB :: 2.317(D) HG11 :: 0.912(D) HG12 :: 0.912(D) HG13 :: 0.912(D) HG21 :: 0.947(D) HG22 :: 0.947(D) HG23 :: 0.947(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 :: 124.659(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S147 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 173.145 CA :: 56.753(D) CB :: 66.075(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.675(D) HA :: 5.884(S) HB2 :: 3.808(D) HB3 :: 3.756(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 :: 120.741(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.846 CA :: 59.092(D) CB :: 70.552(D) CG2 :: 21.284(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 :: 9.011(D) HA :: 5.083(D) HB :: 4.142(D) HG1 :: 4.387(D) HG21 :: 0.767(D) HG22 :: 0.767(D) HG23 :: 0.767(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.094(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 172.510 CA :: 57.353(D) CB :: 66.373(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.408(D) HA :: 5.556(D) HB2 :: 3.617(D) HB3 :: 3.149(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 :: 120.250(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R150 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 9.268(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 :: 122.251(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.Y151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> Y 0.99 C Shift Assignments>> C :: 174.635 CA :: 58.357(D) CB :: 39.512(D) CD1 :: 132.721(D) CD2 :: 132.721(D) CE1 :: 118.135(D) CE2 :: 118.135(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>> HA :: 4.756(D) HB2 :: 2.799(D) HB3 :: 2.498(D) HD1 :: 6.522(D) HD2 :: 6.522(D) HE1 :: 6.466(D) HE2 :: 6.466(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) 1.Y152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 175.213 CA :: 55.666(D) CB :: 40.420(D) CD1 :: 133.121(D) CD2 :: 133.121(D) CE1 :: 118.712(D) CE2 :: 118.712(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 :: 9.799(D) HA :: 5.109(D) HB2 :: 2.635(D) HB3 :: 3.469(D) HD1 :: 7.125(D) HD2 :: 7.125(D) HE1 :: 6.528(D) HE2 :: 6.528(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 :: 124.226(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.77 R 0.19 G 0.02 C Shift Assignments>> C :: 177.348 CA :: 56.137(D) CB :: 34.302(D) CG :: 24.725(D) CD :: 28.346(D) CE :: 42.390(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 :: 9.415(D) HA :: 4.115(D) HB2 :: 1.945(D) HB3 :: 1.709(D) HG2 :: 0.818(D) HG3 :: 1.509(D) HD2 :: 1.467(D) HD3 :: 1.545(D) HE2 :: 2.915(D) HE3 :: 2.915(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 :: 129.051(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.71 R 0.24 G 0.04 C Shift Assignments>> C :: 175.313 CA :: 58.645(D) CB :: 32.991(D) CG :: 25.003(D) CD :: 29.171(D) CE :: 42.774(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 :: 9.175(D) HA :: 4.182(D) HB2 :: 1.588(D) HB3 :: 1.831(D) HG2 :: 0.759(D) HE2 :: 3.009(D) HE3 :: 2.959(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 :: 133.301(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q155 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> M 0.37 E 0.31 Q 0.24 K 0.06 C Shift Assignments>> C :: 180.987 CA :: 55.932(D) CB :: 31.148(D) CG :: 34.969(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 :: 8.646(D) HA :: 4.148(D) HB2 :: 2.171(D) HB3 :: 1.637(D) HG2 :: 2.171(D) HG3 :: 2.324(D) HE21 :: 7.044(D) HE22 :: 7.475(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 :: 132.205(S) NE2 :: 115.543(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.OLA1 Overall Status: Residue type OLA not supported. ########################################################################### Overall Results: #Consistent: 6 #Clerical: 133 #Suspicious: 15 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 148 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 155 #Suspicious: 0 C Shift Results: #Consistent: 146 #Duplicate: 518 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 2 #Duplicate: 998 #Unknown: 0 #Suspicious: 18 #Anomalous: 1 N Shift Results: #Consistent: 0 #Duplicate: 148 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.M1 CA = 55.847(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.0612e-01 1.M1 CG = 35.145(D), Expected = 32.01, Std = 1.2400, ChiSquare = 1.1464e-02 1.M1 CE = 16.826(D), Expected = 17.07, Std = 1.5800, ChiSquare = 8.7727e-01 1.M1 HA = 3.747(D), Expected = 4.41, Std = 0.4800, ChiSquare = 1.6720e-01 1.M1 HG2 = 2.403(D), Expected = 2.42, Std = 0.3500, ChiSquare = 9.6126e-01 1.M1 HG3 = 2.409(D), Expected = 2.39, Std = 0.3800, ChiSquare = 9.6012e-01 1.M1 HE1 = 2.029(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.6252e-01 1.M1 HE2 = 2.029(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.6252e-01 1.M1 HE3 = 2.029(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.6252e-01 1.R2 CA = 56.471(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.9701e-01 1.R2 CB = 30.855(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.3250e-01 1.R2 CG = 27.127(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.4486e-01 1.R2 CD = 43.328(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.4860e-01 1.R2 HA = 4.329(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.4973e-01 1.R2 HB2 = 1.770(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.4095e-01 1.R2 HB3 = 1.843(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.6690e-01 1.R2 HG2 = 1.630(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.2414e-01 1.R2 HG3 = 1.630(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.5630e-01 1.R2 HD2 = 3.153(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.9064e-01 1.R2 HD3 = 3.153(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.3847e-01 1.H7 CA = 56.389(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.5478e-01 1.H7 CE1 = 138.507(D), Expected = 137.71, Std = 2.1200, ChiSquare = 7.0696e-01 1.H7 HA = 4.558(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.0375e-01 1.H7 HB2 = 2.983(D), Expected = 3.10, Std = 0.3600, ChiSquare = 7.4518e-01 1.H7 HB3 = 2.983(D), Expected = 3.04, Std = 0.3800, ChiSquare = 8.8076e-01 1.H7 HE1 = 7.723(D), Expected = 7.95, Std = 0.4800, ChiSquare = 6.3627e-01 1.H10 CB = 31.024(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.0488e-01 1.H10 CE1 = 138.477(D), Expected = 137.71, Std = 2.1200, ChiSquare = 7.1751e-01 1.H10 HB2 = 3.116(D), Expected = 3.10, Std = 0.3600, ChiSquare = 9.6455e-01 1.H10 HB3 = 3.116(D), Expected = 3.04, Std = 0.3800, ChiSquare = 8.4148e-01 1.H10 HE1 = 7.793(D), Expected = 7.95, Std = 0.4800, ChiSquare = 7.4360e-01 1.G11 CA = 45.212(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1798e-01 1.G11 HA2 = 3.970(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.0000e+00 1.G11 HA3 = 3.970(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.4994e-01 1.S12 CA = 58.569(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.4185e-01 1.S12 CB = 64.085(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.4730e-01 1.S12 H = 8.255(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.6620e-01 1.S12 HA = 4.502(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.5614e-01 1.S12 HB2 = 3.863(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.4579e-01 1.S12 HB3 = 3.863(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.6160e-01 1.S12 N = 115.957(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.2689e-01 1.K13 CA = 55.829(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.1037e-01 1.K13 CB = 34.291(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.9908e-01 1.K13 CG = 24.966(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.4638e-01 1.K13 CD = 29.613(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.4543e-01 1.K13 CE = 42.110(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.8847e-01 1.K13 H = 8.552(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.4629e-01 1.K13 HA = 4.563(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.0547e-01 1.K13 HB2 = 1.742(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.7919e-01 1.K13 HB3 = 1.902(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.4851e-01 1.K13 HG2 = 1.523(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.5622e-01 1.K13 HG3 = 1.434(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.6418e-01 1.K13 HD2 = 1.640(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.9153e-01 1.K13 HD3 = 1.721(D), Expected = 1.60, Std = 0.2200, ChiSquare = 5.8232e-01 1.K13 HE2 = 2.914(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.7481e-01 1.K13 HE3 = 2.976(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.4140e-01 1.K13 N = 122.745(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.5300e-01 1.T14 CA = 60.976(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.3101e-01 1.T14 CB = 70.806(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.0918e-01 1.T14 CG2 = 22.322(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.8674e-01 1.T14 H = 7.948(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.3766e-01 1.T14 HA = 4.632(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.2009e-01 1.T14 HB = 3.860(D), Expected = 4.17, Std = 0.3300, ChiSquare = 3.4753e-01 1.T14 HG21 = 1.177(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7220e-01 1.T14 HG22 = 1.177(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7220e-01 1.T14 HG23 = 1.177(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7220e-01 1.T14 N = 116.520(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.1687e-01 1.L15 CA = 52.056(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.4280e-02 1.L15 CB = 43.565(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.0442e-01 1.L15 CG = 25.714(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.3250e-01 1.L15 CD1 = 25.949(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.3955e-01 1.L15 CD2 = 25.524(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.8591e-01 1.L15 H = 8.159(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.1302e-01 1.L15 HA = 4.184(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.7230e-01 1.L15 HB2 = 0.283(S), Expected = 1.61, Std = 0.3400, ChiSquare = 9.5031e-05 1.L15 HB3 = 1.255(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.6166e-01 1.L15 HG = 1.405(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.5035e-01 1.L15 HD11 = 0.431(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.5458e-01 1.L15 HD12 = 0.431(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.5458e-01 1.L15 HD13 = 0.431(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.5458e-01 1.L15 HD21 = 0.217(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.6900e-02 1.L15 HD22 = 0.217(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.6900e-02 1.L15 HD23 = 0.217(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.6900e-02 1.L15 N = 127.961(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1773e-01 1.P16 CA = 63.533(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.9376e-01 1.P16 CB = 32.891(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.7767e-01 1.P16 CG = 27.938(D), Expected = 27.17, Std = 1.0900, ChiSquare = 4.8107e-01 1.P16 CD = 51.810(D), Expected = 50.32, Std = 0.9900, ChiSquare = 1.3231e-01 1.P16 HA = 4.407(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.8308e-01 1.P16 HB2 = 2.611(D), Expected = 2.08, Std = 0.3500, ChiSquare = 1.2923e-01 1.P16 HB3 = 1.955(D), Expected = 2.00, Std = 0.3600, ChiSquare = 9.0052e-01 1.P16 HG2 = 2.423(D), Expected = 1.93, Std = 0.3100, ChiSquare = 1.1176e-01 1.P16 HG3 = 2.180(D), Expected = 1.90, Std = 0.3300, ChiSquare = 3.9617e-01 1.P16 HD2 = 4.386(D), Expected = 3.65, Std = 0.3500, ChiSquare = 3.5478e-02 1.P16 HD3 = 3.576(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.3053e-01 1.D17 CA = 57.224(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.1193e-01 1.D17 CB = 40.749(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.3555e-01 1.D17 H = 8.468(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.8530e-01 1.D17 HA = 4.209(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.3380e-01 1.D17 HB2 = 2.692(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.1424e-01 1.D17 HB3 = 2.692(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.0901e-01 1.D17 N = 122.208(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.8649e-01 1.K18 CA = 57.459(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.1703e-01 1.K18 CB = 31.219(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.7746e-01 1.K18 CG = 23.087(D), Expected = 24.89, Std = 1.1300, ChiSquare = 1.1058e-01 1.K18 CD = 29.921(D), Expected = 28.96, Std = 1.0800, ChiSquare = 3.7357e-01 1.K18 CE = 41.867(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.7762e-01 1.K18 H = 8.029(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.8844e-01 1.K18 HA = 4.216(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.0232e-01 1.K18 HB2 = 1.684(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.0098e-01 1.K18 HB3 = 1.684(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.3569e-01 1.K18 HG2 = 0.051(S), Expected = 1.37, Std = 0.2600, ChiSquare = 3.9143e-07 1.K18 HG3 = 0.936(D), Expected = 1.35, Std = 0.2800, ChiSquare = 1.3925e-01 1.K18 HD2 = 1.398(D), Expected = 1.61, Std = 0.2200, ChiSquare = 3.3523e-01 1.K18 HD3 = 1.457(D), Expected = 1.60, Std = 0.2200, ChiSquare = 5.1569e-01 1.K18 HE2 = 2.858(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.4419e-01 1.K18 HE3 = 2.858(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.9486e-01 1.K18 N = 115.743(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.5922e-01 1.F19 CA = 59.754(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.1481e-01 1.F19 CB = 39.607(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.5460e-01 1.F19 CD1 = 130.956(D), Expected = 131.58, Std = 1.1800, ChiSquare = 5.9693e-01 1.F19 CD2 = 130.956(D), Expected = 131.63, Std = 1.1200, ChiSquare = 5.4732e-01 1.F19 H = 7.745(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.9301e-01 1.F19 HA = 4.184(D), Expected = 4.63, Std = 0.5700, ChiSquare = 4.3395e-01 1.F19 HB2 = 2.241(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.0233e-02 1.F19 HB3 = 2.680(D), Expected = 2.93, Std = 0.4000, ChiSquare = 5.3197e-01 1.F19 HD1 = 6.757(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.2836e-01 1.F19 HD2 = 6.757(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.2836e-01 1.F19 N = 117.906(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.4278e-01 1.L20 CA = 54.384(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.6172e-01 1.L20 CB = 41.986(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.6317e-01 1.L20 CG = 26.537(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.2516e-01 1.L20 CD1 = 23.594(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.7884e-01 1.L20 CD2 = 26.257(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.9421e-01 1.L20 H = 7.263(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3683e-01 1.L20 HA = 4.396(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.7154e-01 1.L20 HB2 = 2.045(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.0075e-01 1.L20 HB3 = 1.361(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.5873e-01 1.L20 HG = 1.649(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.7360e-01 1.L20 HD11 = 0.694(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4148e-01 1.L20 HD12 = 0.694(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4148e-01 1.L20 HD13 = 0.694(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4148e-01 1.L20 HD21 = 1.039(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8664e-01 1.L20 HD22 = 1.039(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8664e-01 1.L20 HD23 = 1.039(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8664e-01 1.L20 N = 114.037(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.4867e-02 1.G21 CA = 44.459(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.0610e-01 1.G21 H = 8.753(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.1520e-01 1.G21 HA2 = 3.705(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.7386e-01 1.G21 HA3 = 4.036(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.1320e-01 1.G21 N = 109.148(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9270e-01 1.T22 CA = 61.843(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8427e-01 1.T22 CB = 70.556(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.1233e-01 1.T22 CG2 = 22.379(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.5516e-01 1.T22 H = 8.309(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.1139e-01 1.T22 HA = 4.939(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.1832e-01 1.T22 HB = 3.763(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.1745e-01 1.T22 HG21 = 1.001(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.4561e-01 1.T22 HG22 = 1.001(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.4561e-01 1.T22 HG23 = 1.001(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.4561e-01 1.T22 N = 117.563(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.5188e-01 1.F23 CA = 55.636(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.4162e-01 1.F23 CB = 42.650(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.0311e-01 1.F23 CD1 = 133.219(D), Expected = 131.58, Std = 1.1800, ChiSquare = 1.6484e-01 1.F23 CD2 = 133.219(D), Expected = 131.63, Std = 1.1200, ChiSquare = 1.5597e-01 1.F23 H = 9.702(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.2338e-02 1.F23 HA = 5.285(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.5051e-01 1.F23 HB2 = 2.752(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.0269e-01 1.F23 HB3 = 2.982(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.9657e-01 1.F23 HD1 = 7.111(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.6932e-01 1.F23 HD2 = 7.111(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.6932e-01 1.F23 N = 124.040(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.9042e-01 1.K24 CA = 55.929(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.4258e-01 1.K24 CB = 36.507(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.6780e-02 1.K24 CG = 24.938(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.6612e-01 1.K24 CD = 29.609(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.4789e-01 1.K24 CE = 42.105(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.9317e-01 1.K24 H = 9.130(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.1719e-01 1.K24 HA = 5.295(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.9830e-02 1.K24 HB2 = 2.013(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.5134e-01 1.K24 HB3 = 1.617(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.4871e-01 1.K24 HG2 = 1.446(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.7005e-01 1.K24 HG3 = 1.538(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.0195e-01 1.K24 HD2 = 1.658(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.2729e-01 1.K24 HD3 = 1.658(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.9206e-01 1.K24 HE2 = 2.986(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.2831e-01 1.K24 HE3 = 2.986(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.0395e-01 1.K24 N = 126.441(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.5272e-01 1.L25 CA = 57.596(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5356e-01 1.L25 CB = 43.029(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.0213e-01 1.L25 CG = 26.519(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.1245e-01 1.L25 CD1 = 21.433(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.8706e-02 1.L25 CD2 = 26.800(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.0574e-01 1.L25 H = 9.371(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.9194e-02 1.L25 HA = 3.767(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.3936e-01 1.L25 HB2 = 1.576(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.2034e-01 1.L25 HB3 = 2.081(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.1915e-01 1.L25 HG = 1.237(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.0808e-01 1.L25 HD11 = 0.256(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7684e-02 1.L25 HD12 = 0.256(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7684e-02 1.L25 HD13 = 0.256(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7684e-02 1.L25 HD21 = 0.923(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.0572e-01 1.L25 HD22 = 0.923(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.0572e-01 1.L25 HD23 = 0.923(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.0572e-01 1.L25 N = 131.406(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.4377e-02 1.E26 CA = 57.227(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.6451e-01 1.E26 CB = 34.565(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.0908e-03 1.E26 CG = 37.601(D), Expected = 36.11, Std = 1.1900, ChiSquare = 2.1023e-01 1.E26 H = 9.458(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.5894e-02 1.E26 HA = 4.654(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.2444e-01 1.E26 HB2 = 2.254(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.6516e-01 1.E26 HB3 = 2.062(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.5425e-01 1.E26 HG2 = 2.492(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.9045e-01 1.E26 HG3 = 2.135(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.0116e-01 1.E26 N = 126.454(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6499e-02 1.R27 CA = 54.921(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.2346e-01 1.R27 CB = 31.996(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.7882e-01 1.R27 CG = 26.313(D), Expected = 27.21, Std = 1.2000, ChiSquare = 4.5476e-01 1.R27 CD = 42.726(D), Expected = 43.16, Std = 0.8800, ChiSquare = 6.2188e-01 1.R27 H = 7.651(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.3426e-01 1.R27 HA = 4.835(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.4481e-01 1.R27 HB2 = 1.896(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.9462e-01 1.R27 HB3 = 1.962(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.7065e-01 1.R27 HG2 = 1.142(D), Expected = 1.57, Std = 0.2700, ChiSquare = 1.1292e-01 1.R27 HG3 = 1.318(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.4396e-01 1.R27 HD2 = 2.929(D), Expected = 3.12, Std = 0.2400, ChiSquare = 4.2613e-01 1.R27 HD3 = 2.929(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.1074e-01 1.R27 N = 112.107(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.8165e-02 1.D28 CA = 53.157(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.5015e-01 1.D28 CB = 45.569(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.7983e-03 1.D28 H = 8.521(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1601e-01 1.D28 HA = 5.146(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.2299e-02 1.D28 HB2 = 2.719(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.9693e-01 1.D28 HB3 = 2.719(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.3311e-01 1.D28 N = 116.271(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.5660e-01 1.E29 CA = 55.724(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.4508e-01 1.E29 CB = 33.108(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.1677e-02 1.E29 CG = 36.617(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.7007e-01 1.E29 H = 8.647(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.9107e-01 1.E29 HA = 4.817(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.6669e-01 1.E29 HB2 = 2.084(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.6055e-01 1.E29 HB3 = 2.084(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.8276e-01 1.E29 HG2 = 2.188(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.9618e-01 1.E29 HG3 = 2.389(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.2751e-01 1.E29 N = 115.737(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.5633e-01 1.N30 CA = 54.434(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.3441e-01 1.N30 CB = 40.439(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.0071e-01 1.N30 HA = 4.829(D), Expected = 4.67, Std = 0.3600, ChiSquare = 6.5873e-01 1.N30 HB2 = 3.932(S), Expected = 2.81, Std = 0.3100, ChiSquare = 2.9534e-04 1.N30 HB3 = 2.717(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.2034e-01 1.N30 HD21 = 8.057(D), Expected = 7.35, Std = 0.4800, ChiSquare = 1.4077e-01 1.N30 HD22 = 7.004(D), Expected = 7.14, Std = 0.4900, ChiSquare = 7.8136e-01 1.N30 ND2 = 111.697(D), Expected = 112.75, Std = 2.2300, ChiSquare = 6.3679e-01 1.F31 CB = 39.961(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.8893e-01 1.F31 CD1 = 131.307(D), Expected = 131.58, Std = 1.1800, ChiSquare = 8.1704e-01 1.F31 CD2 = 131.307(D), Expected = 131.63, Std = 1.1200, ChiSquare = 7.7305e-01 1.F31 CE1 = 130.799(D), Expected = 130.71, Std = 1.3000, ChiSquare = 9.4542e-01 1.F31 CE2 = 130.799(D), Expected = 130.76, Std = 1.1300, ChiSquare = 9.7247e-01 1.F31 CZ = 127.868(D), Expected = 129.21, Std = 1.4300, ChiSquare = 3.4801e-01 1.F31 H = 8.814(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.2833e-01 1.F31 HA = 4.818(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.4153e-01 1.F31 HB2 = 2.881(D), Expected = 3.00, Std = 0.3700, ChiSquare = 7.4774e-01 1.F31 HB3 = 2.854(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.4931e-01 1.F31 HD1 = 7.414(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.5348e-01 1.F31 HD2 = 7.414(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.5348e-01 1.F31 HE1 = 6.943(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.5854e-01 1.F31 HE2 = 6.943(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.6856e-01 1.F31 HZ = 6.727(D), Expected = 7.00, Std = 0.4200, ChiSquare = 5.1569e-01 1.F31 N = 120.872(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.1958e-01 1.D32 CA = 58.598(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.4214e-02 1.D32 CB = 42.478(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.2393e-01 1.D32 H = 8.770(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.2772e-01 1.D32 HA = 4.034(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.2299e-02 1.D32 HB2 = 2.603(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.5271e-01 1.D32 HB3 = 2.603(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.3869e-01 1.D32 N = 118.291(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.4111e-01 1.E33 CA = 60.013(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.9757e-01 1.E33 CB = 28.228(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.0018e-01 1.E33 CG = 37.249(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.3850e-01 1.E33 H = 8.351(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7161e-01 1.E33 HA = 3.804(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.7668e-01 1.E33 HB2 = 2.027(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.7341e-01 1.E33 HB3 = 1.945(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.4488e-01 1.E33 HG2 = 2.508(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.5707e-01 1.E33 HG3 = 2.405(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.8109e-01 1.E33 N = 116.335(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.1288e-01 1.Y34 CA = 62.024(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.2081e-01 1.Y34 CB = 38.956(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.6618e-01 1.Y34 CD1 = 131.299(D), Expected = 132.77, Std = 1.1700, ChiSquare = 2.0866e-01 1.Y34 CD2 = 131.299(D), Expected = 132.73, Std = 1.3000, ChiSquare = 2.7100e-01 1.Y34 H = 7.742(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.2849e-01 1.Y34 HA = 3.978(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.4431e-01 1.Y34 HB2 = 3.244(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.6668e-01 1.Y34 HB3 = 2.880(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.1831e-01 1.Y34 HD1 = 7.420(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.0240e-01 1.Y34 HD2 = 7.420(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.0240e-01 1.Y34 N = 123.050(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.4692e-01 1.L35 CA = 57.492(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7947e-01 1.L35 CB = 42.057(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9295e-01 1.L35 CG = 26.213(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.0624e-01 1.L35 CD1 = 26.235(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.4068e-01 1.L35 CD2 = 22.287(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.9971e-01 1.L35 H = 8.414(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.7712e-01 1.L35 HA = 3.576(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.1343e-01 1.L35 HB2 = 0.963(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.7048e-02 1.L35 HB3 = 1.849(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.6078e-01 1.L35 HG = 1.171(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.0429e-01 1.L35 HD11 = 0.132(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7304e-02 1.L35 HD12 = 0.132(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7304e-02 1.L35 HD13 = 0.132(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7304e-02 1.L35 HD21 = 0.441(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.1898e-01 1.L35 HD22 = 0.441(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.1898e-01 1.L35 HD23 = 0.441(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.1898e-01 1.L35 N = 119.822(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0128e-01 1.K36 CA = 59.900(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.7995e-01 1.K36 CB = 32.723(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.6997e-01 1.K36 CG = 25.459(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.1458e-01 1.K36 CD = 29.964(D), Expected = 28.96, Std = 1.0800, ChiSquare = 3.5256e-01 1.K36 CE = 41.822(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.3391e-01 1.K36 H = 8.346(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.9486e-01 1.K36 HA = 3.978(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.0692e-01 1.K36 HB2 = 1.758(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.2988e-01 1.K36 HB3 = 1.872(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.2492e-01 1.K36 HG2 = 1.235(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.0360e-01 1.K36 HG3 = 1.503(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.8477e-01 1.K36 HD2 = 1.622(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.5650e-01 1.K36 HD3 = 1.622(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.2034e-01 1.K36 HE2 = 2.885(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.5385e-01 1.K36 HE3 = 2.885(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.0052e-01 1.K36 N = 118.988(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.8441e-01 1.A37 CA = 55.105(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.2099e-01 1.A37 CB = 17.550(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.2498e-01 1.A37 H = 7.970(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0147e-01 1.A37 HA = 4.107(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.2804e-01 1.A37 HB1 = 1.594(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4801e-01 1.A37 HB2 = 1.594(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4801e-01 1.A37 HB3 = 1.594(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.4801e-01 1.A37 N = 125.420(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.3615e-01 1.R38 CA = 54.494(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.2449e-01 1.R38 CB = 31.927(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.0254e-01 1.R38 CG = 27.672(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.0024e-01 1.R38 CD = 42.844(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.1953e-01 1.R38 H = 8.048(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.5295e-01 1.R38 HA = 3.581(D), Expected = 4.30, Std = 0.4600, ChiSquare = 1.1804e-01 1.R38 HB2 = 1.521(D), Expected = 1.79, Std = 0.2700, ChiSquare = 3.1911e-01 1.R38 HB3 = 1.187(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.0714e-02 1.R38 HG2 = 1.255(D), Expected = 1.57, Std = 0.2700, ChiSquare = 2.4334e-01 1.R38 HG3 = 0.877(D), Expected = 1.54, Std = 0.2900, ChiSquare = 2.2242e-02 1.R38 HD2 = 1.929(S), Expected = 3.12, Std = 0.2400, ChiSquare = 6.9592e-07 1.R38 HD3 = 1.929(S), Expected = 3.10, Std = 0.2600, ChiSquare = 6.6735e-06 1.R38 HE = 5.621(D), Expected = 7.40, Std = 0.6300, ChiSquare = 4.7457e-03 1.R38 N = 118.276(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.9280e-01 1.R38 NE = 82.144(D), Expected = 84.63, Std = 1.6800, ChiSquare = 1.3894e-01 1.G39 CA = 45.056(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2634e-01 1.G39 H = 7.498(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.0054e-01 1.G39 HA2 = 3.528(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.3225e-01 1.G39 HA3 = 3.984(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.2040e-01 1.G39 N = 105.772(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.1382e-01 1.Y40 CA = 59.362(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.2354e-01 1.Y40 CB = 39.157(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.3985e-01 1.Y40 CD1 = 132.655(D), Expected = 132.77, Std = 1.1700, ChiSquare = 9.2170e-01 1.Y40 CD2 = 132.655(D), Expected = 132.73, Std = 1.3000, ChiSquare = 9.5399e-01 1.Y40 CE1 = 117.378(D), Expected = 117.93, Std = 1.1900, ChiSquare = 6.4274e-01 1.Y40 CE2 = 117.378(D), Expected = 117.90, Std = 1.1800, ChiSquare = 6.5822e-01 1.Y40 H = 7.606(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.2803e-01 1.Y40 HA = 4.288(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.4139e-01 1.Y40 HB2 = 2.330(D), Expected = 2.91, Std = 0.3700, ChiSquare = 1.1698e-01 1.Y40 HB3 = 2.674(D), Expected = 2.84, Std = 0.3900, ChiSquare = 6.7037e-01 1.Y40 HD1 = 6.968(D), Expected = 6.93, Std = 0.3000, ChiSquare = 8.9920e-01 1.Y40 HD2 = 6.968(D), Expected = 6.93, Std = 0.3000, ChiSquare = 8.9920e-01 1.Y40 HE1 = 6.486(D), Expected = 6.70, Std = 0.2300, ChiSquare = 3.5215e-01 1.Y40 HE2 = 6.486(D), Expected = 6.71, Std = 0.2300, ChiSquare = 3.3010e-01 1.Y40 N = 119.494(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.0701e-01 1.G41 CA = 44.252(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.1256e-01 1.G41 H = 9.023(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.8635e-01 1.G41 HA2 = 4.233(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.7720e-01 1.G41 HA3 = 3.979(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.3093e-01 1.G41 N = 112.367(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.8587e-01 1.W42 CA = 63.351(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.7397e-02 1.W42 CB = 29.404(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.6304e-01 1.W42 CD1 = 126.924(D), Expected = 126.51, Std = 1.8300, ChiSquare = 8.2102e-01 1.W42 CE3 = 120.492(D), Expected = 120.43, Std = 1.7900, ChiSquare = 9.7237e-01 1.W42 CZ2 = 114.829(D), Expected = 114.26, Std = 1.1200, ChiSquare = 6.1143e-01 1.W42 CZ3 = 121.921(D), Expected = 121.35, Std = 1.5300, ChiSquare = 7.0900e-01 1.W42 CH2 = 124.685(D), Expected = 123.86, Std = 1.4200, ChiSquare = 5.6125e-01 1.W42 HA = 3.799(D), Expected = 4.68, Std = 0.5300, ChiSquare = 9.6460e-02 1.W42 HB2 = 3.296(D), Expected = 3.19, Std = 0.3500, ChiSquare = 7.6200e-01 1.W42 HB3 = 3.430(D), Expected = 3.12, Std = 0.3600, ChiSquare = 3.8918e-01 1.W42 HD1 = 7.222(D), Expected = 7.14, Std = 0.3600, ChiSquare = 8.1982e-01 1.W42 HE1 = 10.181(D), Expected = 10.08, Std = 0.6600, ChiSquare = 8.7837e-01 1.W42 HE3 = 7.442(D), Expected = 7.31, Std = 0.4100, ChiSquare = 7.4749e-01 1.W42 HZ2 = 7.401(D), Expected = 7.28, Std = 0.3300, ChiSquare = 7.1387e-01 1.W42 HZ3 = 7.104(D), Expected = 6.86, Std = 0.4000, ChiSquare = 5.4186e-01 1.W42 HH2 = 7.179(D), Expected = 6.98, Std = 0.3900, ChiSquare = 6.0987e-01 1.W42 NE1 = 130.171(D), Expected = 129.32, Std = 2.1100, ChiSquare = 6.8671e-01 1.I43 CA = 65.002(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.0563e-01 1.I43 CB = 37.411(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.4620e-01 1.I43 CG1 = 28.793(D), Expected = 27.71, Std = 1.6800, ChiSquare = 5.1916e-01 1.I43 CG2 = 16.799(D), Expected = 17.53, Std = 1.3600, ChiSquare = 5.9092e-01 1.I43 CD1 = 12.617(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.2638e-01 1.I43 H = 8.251(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.6598e-01 1.I43 HA = 3.427(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.7874e-01 1.I43 HB = 1.810(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.1761e-01 1.I43 HG12 = 1.544(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.0925e-01 1.I43 HG13 = 1.139(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.0101e-01 1.I43 HG21 = 0.839(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.9829e-01 1.I43 HG22 = 0.839(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.9829e-01 1.I43 HG23 = 0.839(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.9829e-01 1.I43 HD11 = 0.900(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4808e-01 1.I43 HD12 = 0.900(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4808e-01 1.I43 HD13 = 0.900(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4808e-01 1.I43 N = 117.555(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.6157e-01 1.M44 CA = 56.206(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.6566e-01 1.M44 CB = 31.191(D), Expected = 32.99, Std = 2.2400, ChiSquare = 4.2190e-01 1.M44 CG = 32.554(D), Expected = 32.01, Std = 1.2400, ChiSquare = 6.6087e-01 1.M44 CE = 16.002(D), Expected = 17.07, Std = 1.5800, ChiSquare = 4.9907e-01 1.M44 H = 7.789(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.3245e-01 1.M44 HA = 4.408(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.9668e-01 1.M44 HB2 = 1.898(D), Expected = 2.03, Std = 0.3400, ChiSquare = 6.9784e-01 1.M44 HB3 = 2.148(D), Expected = 1.99, Std = 0.3400, ChiSquare = 6.4214e-01 1.M44 HG2 = 2.756(D), Expected = 2.42, Std = 0.3500, ChiSquare = 3.3706e-01 1.M44 HG3 = 2.604(D), Expected = 2.39, Std = 0.3800, ChiSquare = 5.7333e-01 1.M44 HE1 = 1.999(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.1269e-01 1.M44 HE2 = 1.999(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.1269e-01 1.M44 HE3 = 1.999(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.1269e-01 1.M44 N = 118.292(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.1451e-01 1.R45 CA = 61.380(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.5970e-02 1.R45 CB = 28.894(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.2370e-01 1.R45 CG = 29.248(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.9445e-02 1.R45 CD = 44.260(D), Expected = 43.16, Std = 0.8800, ChiSquare = 2.1130e-01 1.R45 H = 8.711(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.4004e-01 1.R45 HA = 3.563(D), Expected = 4.30, Std = 0.4600, ChiSquare = 1.0912e-01 1.R45 HB2 = 0.893(S), Expected = 1.79, Std = 0.2700, ChiSquare = 8.9304e-04 1.R45 HB3 = 1.953(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.9064e-01 1.R45 HG2 = 1.406(D), Expected = 1.57, Std = 0.2700, ChiSquare = 5.4358e-01 1.R45 HG3 = 1.785(D), Expected = 1.54, Std = 0.2900, ChiSquare = 3.9821e-01 1.R45 HD2 = 3.194(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.5783e-01 1.R45 HD3 = 2.838(D), Expected = 3.10, Std = 0.2600, ChiSquare = 3.1360e-01 1.R45 N = 117.200(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.2795e-01 1.Q46 CA = 58.464(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.7613e-01 1.Q46 CB = 27.995(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.1144e-01 1.Q46 CG = 32.756(D), Expected = 33.76, Std = 1.1100, ChiSquare = 3.6573e-01 1.Q46 H = 7.432(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.8168e-01 1.Q46 HA = 3.661(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.6633e-01 1.Q46 HB2 = 1.853(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.3070e-01 1.Q46 HB3 = 1.803(D), Expected = 2.02, Std = 0.2800, ChiSquare = 4.3834e-01 1.Q46 HG2 = 1.637(D), Expected = 2.32, Std = 0.2700, ChiSquare = 1.1418e-02 1.Q46 HG3 = 1.689(D), Expected = 2.29, Std = 0.2900, ChiSquare = 3.8227e-02 1.Q46 HE21 = 6.732(D), Expected = 7.24, Std = 0.4500, ChiSquare = 2.5894e-01 1.Q46 HE22 = 6.459(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.0231e-01 1.Q46 N = 115.919(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.7000e-01 1.Q46 NE2 = 112.159(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.6657e-01 1.V47 CA = 65.883(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3548e-01 1.V47 CB = 32.187(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.6162e-01 1.V47 CG1 = 20.843(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.3426e-01 1.V47 CG2 = 22.286(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.1074e-01 1.V47 H = 7.227(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.1261e-01 1.V47 HA = 3.419(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.8375e-01 1.V47 HB = 2.204(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.8393e-01 1.V47 HG11 = 0.802(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.1424e-01 1.V47 HG12 = 0.802(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.1424e-01 1.V47 HG13 = 0.802(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.1424e-01 1.V47 HG21 = 1.022(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.2786e-01 1.V47 HG22 = 1.022(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.2786e-01 1.V47 HG23 = 1.022(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.2786e-01 1.V47 N = 117.532(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.2678e-01 1.I48 CA = 65.498(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4685e-01 1.I48 CB = 38.482(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.4159e-01 1.I48 CG1 = 29.842(D), Expected = 27.71, Std = 1.6800, ChiSquare = 2.0442e-01 1.I48 CG2 = 18.896(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.1518e-01 1.I48 CD1 = 14.210(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.4045e-01 1.I48 H = 8.101(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.9237e-01 1.I48 HA = 3.435(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.8340e-01 1.I48 HB = 1.370(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.5742e-01 1.I48 HG12 = 1.675(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.2340e-01 1.I48 HG13 = 0.689(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.2173e-01 1.I48 HG21 = 0.817(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6181e-01 1.I48 HG22 = 0.817(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6181e-01 1.I48 HG23 = 0.817(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6181e-01 1.I48 HD11 = -0.036(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.3550e-02 1.I48 HD12 = -0.036(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.3550e-02 1.I48 HD13 = -0.036(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.3550e-02 1.I48 N = 117.523(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.5765e-01 1.K49 CA = 59.850(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.8744e-01 1.K49 CB = 32.076(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.8833e-01 1.K49 CG = 25.624(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.1598e-01 1.K49 CD = 29.288(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.6135e-01 1.K49 CE = 41.516(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.4832e-01 1.K49 H = 8.338(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0517e-01 1.K49 HA = 4.049(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.1548e-01 1.K49 HB2 = 1.895(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.4552e-01 1.K49 HB3 = 1.726(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.5865e-01 1.K49 HG2 = 1.493(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.3616e-01 1.K49 HG3 = 1.615(D), Expected = 1.35, Std = 0.2800, ChiSquare = 3.4393e-01 1.K49 HD2 = 1.731(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.8232e-01 1.K49 HD3 = 1.488(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.1069e-01 1.K49 HE2 = 2.867(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.8029e-01 1.K49 HE3 = 2.710(D), Expected = 2.91, Std = 0.2000, ChiSquare = 3.1731e-01 1.K49 N = 117.466(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.4178e-01 1.L50 CA = 55.013(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.7566e-01 1.L50 CB = 42.037(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.8454e-01 1.L50 CG = 27.288(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.4421e-01 1.L50 CD1 = 24.869(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.2534e-01 1.L50 CD2 = 22.710(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.3056e-01 1.L50 H = 7.318(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6059e-01 1.L50 HA = 4.266(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.0853e-01 1.L50 HB2 = 1.756(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.6762e-01 1.L50 HB3 = 1.568(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.9393e-01 1.L50 HG = 1.754(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.5967e-01 1.L50 HD11 = 0.830(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L50 HD12 = 0.830(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L50 HD13 = 0.830(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L50 HD21 = 0.847(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8662e-01 1.L50 HD22 = 0.847(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8662e-01 1.L50 HD23 = 0.847(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8662e-01 1.L50 N = 116.104(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3997e-01 1.A51 CA = 52.893(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.0072e-01 1.A51 CB = 18.095(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.1707e-01 1.A51 H = 7.017(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.8648e-02 1.A51 HA = 4.090(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.9923e-01 1.A51 HB1 = 1.402(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.4148e-01 1.A51 HB2 = 1.402(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.4148e-01 1.A51 HB3 = 1.402(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.4148e-01 1.A51 N = 122.422(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.1945e-01 1.G52 CA = 45.156(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8489e-01 1.G52 H = 8.352(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7300e-01 1.G52 HA2 = 4.257(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.3794e-01 1.G52 HA3 = 3.667(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.2887e-01 1.G52 N = 112.009(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.4558e-01 1.V53 CA = 62.355(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6235e-01 1.V53 CB = 37.001(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.7031e-02 1.V53 CG1 = 21.827(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.0429e-01 1.V53 CG2 = 21.657(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.9912e-01 1.V53 H = 7.128(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2860e-02 1.V53 HA = 4.836(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.6537e-01 1.V53 HB = 2.178(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.3608e-01 1.V53 HG11 = 0.959(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1979e-01 1.V53 HG12 = 0.959(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1979e-01 1.V53 HG13 = 0.959(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1979e-01 1.V53 HG21 = 1.068(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.3850e-01 1.V53 HG22 = 1.068(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.3850e-01 1.V53 HG23 = 1.068(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.3850e-01 1.V53 N = 118.673(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.8686e-01 1.T54 CA = 62.030(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.4152e-01 1.T54 CB = 71.595(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.5255e-01 1.T54 CG2 = 22.240(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.3419e-01 1.T54 H = 9.405(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.0240e-02 1.T54 HA = 5.275(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.9524e-02 1.T54 HB = 4.097(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.2493e-01 1.T54 HG21 = 1.069(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5755e-01 1.T54 HG22 = 1.069(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5755e-01 1.T54 HG23 = 1.069(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5755e-01 1.T54 N = 126.039(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.5379e-02 1.K55 CA = 54.482(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6194e-01 1.K55 CB = 36.897(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.1038e-02 1.K55 CG = 26.544(D), Expected = 24.89, Std = 1.1300, ChiSquare = 1.4327e-01 1.K55 CD = 30.052(D), Expected = 28.96, Std = 1.0800, ChiSquare = 3.1196e-01 1.K55 CE = 43.552(D), Expected = 41.89, Std = 0.8200, ChiSquare = 4.2680e-02 1.K55 H = 9.506(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.8283e-02 1.K55 HA = 5.420(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.9584e-03 1.K55 HB2 = 1.388(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.1688e-01 1.K55 HB3 = 1.388(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.9233e-01 1.K55 HG2 = 1.872(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.3512e-02 1.K55 HG3 = 0.903(D), Expected = 1.35, Std = 0.2800, ChiSquare = 1.1039e-01 1.K55 HD2 = 0.604(S), Expected = 1.61, Std = 0.2200, ChiSquare = 4.8142e-06 1.K55 HD3 = 1.389(D), Expected = 1.60, Std = 0.2200, ChiSquare = 3.3751e-01 1.K55 HE2 = 2.588(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.0574e-02 1.K55 HE3 = 3.282(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.2886e-02 1.K55 N = 125.454(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.4274e-01 1.K56 CA = 54.929(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.5829e-01 1.K56 CB = 36.657(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.9820e-02 1.K56 CG = 25.715(D), Expected = 24.89, Std = 1.1300, ChiSquare = 4.6534e-01 1.K56 CD = 29.883(D), Expected = 28.96, Std = 1.0800, ChiSquare = 3.9276e-01 1.K56 CE = 41.923(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.6790e-01 1.K56 H = 8.822(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.9219e-01 1.K56 HA = 5.655(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.6455e-03 1.K56 HB2 = 1.461(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.0196e-01 1.K56 HB3 = 1.659(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.6418e-01 1.K56 HG2 = 1.544(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.0335e-01 1.K56 HG3 = 1.198(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.8723e-01 1.K56 HD3 = 1.490(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.1707e-01 1.K56 HE3 = 2.731(D), Expected = 2.91, Std = 0.2000, ChiSquare = 3.7079e-01 1.K56 N = 119.926(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.6559e-01 1.F57 CA = 57.353(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.7727e-01 1.F57 CB = 43.715(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.4701e-02 1.F57 CD1 = 131.064(D), Expected = 131.58, Std = 1.1800, ChiSquare = 6.6190e-01 1.F57 CD2 = 131.064(D), Expected = 131.63, Std = 1.1200, ChiSquare = 6.1331e-01 1.F57 CE1 = 130.900(D), Expected = 130.71, Std = 1.3000, ChiSquare = 8.8380e-01 1.F57 CE2 = 130.900(D), Expected = 130.76, Std = 1.1300, ChiSquare = 9.0140e-01 1.F57 CZ = 128.893(D), Expected = 129.21, Std = 1.4300, ChiSquare = 8.2456e-01 1.F57 H = 8.933(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.2613e-01 1.F57 HA = 5.299(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.4052e-01 1.F57 HB2 = 2.642(D), Expected = 3.00, Std = 0.3700, ChiSquare = 3.3326e-01 1.F57 HB3 = 3.827(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.4929e-02 1.F57 HD1 = 7.010(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.7186e-01 1.F57 HD2 = 7.010(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.7186e-01 1.F57 HE1 = 6.565(D), Expected = 7.08, Std = 0.3100, ChiSquare = 9.6655e-02 1.F57 HE2 = 6.565(D), Expected = 7.08, Std = 0.3200, ChiSquare = 1.0753e-01 1.F57 HZ = 6.252(D), Expected = 7.00, Std = 0.4200, ChiSquare = 7.4920e-02 1.F57 N = 119.890(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.9343e-01 1.R58 CA = 54.619(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.5177e-01 1.R58 CB = 33.577(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.1592e-01 1.R58 CG = 26.550(D), Expected = 27.21, Std = 1.2000, ChiSquare = 5.8232e-01 1.R58 CD = 43.101(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.4655e-01 1.R58 H = 8.728(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.2371e-01 1.R58 HA = 5.023(D), Expected = 4.30, Std = 0.4600, ChiSquare = 1.1601e-01 1.R58 HB2 = 2.017(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.0049e-01 1.R58 HB3 = 1.778(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.4874e-01 1.R58 HG2 = 1.429(D), Expected = 1.57, Std = 0.2700, ChiSquare = 6.0152e-01 1.R58 HG3 = 1.429(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.0190e-01 1.R58 HD2 = 3.239(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.2001e-01 1.R58 HD3 = 3.239(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.9292e-01 1.R58 N = 117.305(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.4225e-01 1.N59 CA = 55.660(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.5946e-01 1.N59 CB = 38.863(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.1847e-01 1.N59 H = 8.629(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.4643e-01 1.N59 HA = 4.384(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.2694e-01 1.N59 HB2 = 2.374(D), Expected = 2.81, Std = 0.3100, ChiSquare = 1.5959e-01 1.N59 HB3 = 2.762(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.7099e-01 1.N59 HD21 = 7.774(D), Expected = 7.35, Std = 0.4800, ChiSquare = 3.7706e-01 1.N59 HD22 = 7.093(D), Expected = 7.14, Std = 0.4900, ChiSquare = 9.2359e-01 1.N59 N = 119.781(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.3276e-01 1.N59 ND2 = 113.040(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.9653e-01 1.A60 CA = 52.987(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.3841e-01 1.A60 CB = 17.914(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.4923e-01 1.A60 H = 8.215(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8006e-01 1.A60 HA = 3.762(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.5771e-01 1.A60 HB1 = 1.028(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1554e-01 1.A60 HB2 = 1.028(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1554e-01 1.A60 HB3 = 1.028(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1554e-01 1.A60 N = 125.942(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.4362e-01 1.A61 CA = 54.488(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.9599e-01 1.A61 CB = 17.961(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.6649e-01 1.A61 H = 9.831(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.5612e-03 1.A61 HA = 3.995(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.4699e-01 1.A61 HB1 = 1.382(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0205e-01 1.A61 HB2 = 1.382(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0205e-01 1.A61 HB3 = 1.382(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0205e-01 1.A61 N = 131.247(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.3532e-02 1.S62 CA = 59.319(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.7230e-01 1.S62 CB = 63.117(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.4445e-01 1.S62 H = 8.475(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.4102e-01 1.S62 HA = 4.028(D), Expected = 4.48, Std = 0.4000, ChiSquare = 2.5848e-01 1.S62 HB2 = 3.927(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.5088e-01 1.S62 HB3 = 3.815(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.9686e-01 1.S62 N = 113.132(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.7115e-01 1.G63 CA = 45.095(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.4908e-01 1.G63 H = 7.839(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.5002e-01 1.G63 HA2 = 4.070(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.8695e-01 1.G63 HA3 = 3.641(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.8393e-01 1.G63 N = 109.551(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.7547e-01 1.K64 CA = 55.090(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.9786e-01 1.K64 CB = 32.755(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.8431e-01 1.K64 CG = 25.852(D), Expected = 24.89, Std = 1.1300, ChiSquare = 3.9459e-01 1.K64 CD = 29.477(D), Expected = 28.96, Std = 1.0800, ChiSquare = 6.3215e-01 1.K64 CE = 42.091(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.0636e-01 1.K64 H = 7.392(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.8352e-01 1.K64 HA = 4.186(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.4860e-01 1.K64 HB2 = 1.091(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.8513e-03 1.K64 HB3 = 1.577(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.4604e-01 1.K64 HG2 = 1.328(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.7167e-01 1.K64 HG3 = 1.328(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.3737e-01 1.K64 HD2 = 1.547(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.7460e-01 1.K64 HD3 = 1.427(D), Expected = 1.60, Std = 0.2200, ChiSquare = 4.3165e-01 1.K64 HE2 = 2.817(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.8775e-01 1.K64 HE3 = 2.817(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.4193e-01 1.K64 N = 122.381(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.2405e-01 1.P65 CA = 62.876(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.6518e-01 1.P65 CB = 31.932(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.4460e-01 1.P65 CG = 27.377(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.4938e-01 1.P65 CD = 50.811(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.1992e-01 1.P65 HA = 4.194(D), Expected = 4.40, Std = 0.3300, ChiSquare = 5.3247e-01 1.P65 HB2 = 2.136(D), Expected = 2.08, Std = 0.3500, ChiSquare = 8.7288e-01 1.P65 HB3 = 1.741(D), Expected = 2.00, Std = 0.3600, ChiSquare = 4.7187e-01 1.P65 HG2 = 1.958(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.2803e-01 1.P65 HG3 = 1.958(D), Expected = 1.90, Std = 0.3300, ChiSquare = 8.6048e-01 1.P65 HD2 = 3.531(D), Expected = 3.65, Std = 0.3500, ChiSquare = 7.3386e-01 1.P65 HD3 = 3.824(D), Expected = 3.61, Std = 0.3900, ChiSquare = 5.8320e-01 1.D66 CA = 55.342(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.4807e-01 1.D66 CB = 39.205(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.0116e-01 1.D66 H = 8.418(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.5228e-01 1.D66 HA = 4.129(D), Expected = 4.59, Std = 0.3200, ChiSquare = 1.4969e-01 1.D66 HB2 = 2.865(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.7705e-01 1.D66 HB3 = 2.808(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.9710e-01 1.D66 N = 116.087(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.3716e-01 1.R67 CA = 53.631(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.7419e-01 1.R67 CB = 33.475(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.2942e-01 1.R67 CG = 28.913(D), Expected = 27.21, Std = 1.2000, ChiSquare = 1.5585e-01 1.R67 CD = 43.125(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.6827e-01 1.R67 H = 6.552(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.6538e-03 1.R67 HA = 4.838(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.4218e-01 1.R67 HB2 = 0.918(D), Expected = 1.79, Std = 0.2700, ChiSquare = 1.2395e-03 1.R67 HB3 = 1.008(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.2375e-03 1.R67 HG2 = 1.137(D), Expected = 1.57, Std = 0.2700, ChiSquare = 1.0878e-01 1.R67 HG3 = 1.342(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.9476e-01 1.R67 HD2 = 2.646(D), Expected = 3.12, Std = 0.2400, ChiSquare = 4.8268e-02 1.R67 HD3 = 2.805(D), Expected = 3.10, Std = 0.2600, ChiSquare = 2.5654e-01 1.R67 N = 113.517(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.7807e-02 1.Y68 CA = 58.488(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.8658e-01 1.Y68 CB = 42.326(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.6402e-01 1.Y68 H = 8.694(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.0842e-01 1.Y68 HA = 4.391(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.6954e-01 1.Y68 HB2 = -0.494(A), Expected = 2.91, Std = 0.3700, ChiSquare = 3.5795e-20 1.Y68 HB3 = 2.066(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.7187e-02 1.Y68 N = 120.868(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.3397e-01 1.D69 CA = 51.677(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.3775e-01 1.D69 CB = 43.820(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.9553e-02 1.D69 H = 8.255(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.2445e-01 1.D69 HA = 5.732(S), Expected = 4.59, Std = 0.3200, ChiSquare = 3.5869e-04 1.D69 HB2 = 2.768(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.5353e-01 1.D69 HB3 = 2.421(D), Expected = 2.66, Std = 0.2800, ChiSquare = 3.9334e-01 1.D69 N = 112.530(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.5411e-02 1.M70 CA = 54.517(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.7501e-01 1.M70 CB = 37.604(D), Expected = 32.99, Std = 2.2400, ChiSquare = 3.9416e-02 1.M70 CG = 33.083(D), Expected = 32.01, Std = 1.2400, ChiSquare = 3.8686e-01 1.M70 H = 9.487(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.0855e-02 1.M70 HA = 5.548(D), Expected = 4.41, Std = 0.4800, ChiSquare = 1.7748e-02 1.M70 HB2 = 2.130(D), Expected = 2.03, Std = 0.3400, ChiSquare = 7.6867e-01 1.M70 HB3 = 1.812(D), Expected = 1.99, Std = 0.3400, ChiSquare = 6.0061e-01 1.M70 HG2 = 1.952(D), Expected = 2.42, Std = 0.3500, ChiSquare = 1.8118e-01 1.M70 HG3 = 1.654(D), Expected = 2.39, Std = 0.3800, ChiSquare = 5.2765e-02 1.M70 N = 119.654(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.0280e-01 1.E71 CB = 34.489(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.2124e-03 1.E71 CG = 37.262(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.3301e-01 1.E71 H = 9.024(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.3949e-01 1.E71 HA = 4.802(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.7819e-01 1.E71 HB2 = 1.977(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.3776e-01 1.E71 HB3 = 1.475(D), Expected = 1.99, Std = 0.2300, ChiSquare = 2.5147e-02 1.E71 HG2 = 1.751(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.3457e-02 1.E71 HG3 = 1.751(D), Expected = 2.25, Std = 0.2200, ChiSquare = 2.3318e-02 1.E71 N = 123.660(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.9023e-01 1.N72 CA = 53.121(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.2363e-01 1.N72 CB = 41.696(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.5289e-02 1.N72 H = 7.531(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.9910e-01 1.N72 HA = 5.168(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.6656e-01 1.N72 HB2 = 3.143(D), Expected = 2.81, Std = 0.3100, ChiSquare = 2.8274e-01 1.N72 HB3 = 2.059(D), Expected = 2.75, Std = 0.3300, ChiSquare = 3.6265e-02 1.N72 HD21 = 8.427(D), Expected = 7.35, Std = 0.4800, ChiSquare = 2.4848e-02 1.N72 HD22 = 6.362(D), Expected = 7.14, Std = 0.4900, ChiSquare = 1.1234e-01 1.N72 N = 119.715(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.4556e-01 1.N72 ND2 = 115.357(D), Expected = 112.75, Std = 2.2300, ChiSquare = 2.4238e-01 1.L73 CA = 53.058(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2905e-01 1.L73 CB = 41.486(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.6117e-01 1.L73 CG = 26.932(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.9010e-01 1.L73 CD1 = 24.018(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.5884e-01 1.L73 CD2 = 25.882(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.8119e-01 1.L73 H = 9.259(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.1340e-01 1.L73 HA = 5.382(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.3848e-02 1.L73 HB2 = 1.459(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.5696e-01 1.L73 HB3 = 1.809(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.2210e-01 1.L73 HG = 1.468(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.9872e-01 1.L73 HD11 = 0.829(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7783e-01 1.L73 HD12 = 0.829(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7783e-01 1.L73 HD13 = 0.829(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7783e-01 1.L73 HD21 = 0.774(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.7940e-01 1.L73 HD22 = 0.774(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.7940e-01 1.L73 HD23 = 0.774(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.7940e-01 1.L73 N = 123.095(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.5150e-01 1.T74 CA = 59.415(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.7880e-01 1.T74 CB = 72.724(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.6238e-02 1.T74 CG2 = 21.835(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.9737e-01 1.T74 H = 8.698(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.6008e-01 1.T74 HA = 5.986(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.4770e-03 1.T74 HB = 4.579(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.1520e-01 1.T74 HG1 = 6.723(D), Expected = 4.92, Std = 1.5800, ChiSquare = 2.5381e-01 1.T74 HG21 = 1.367(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.2366e-01 1.T74 HG22 = 1.367(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.2366e-01 1.T74 HG23 = 1.367(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.2366e-01 1.T74 N = 117.475(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.6528e-01 1.T75 CA = 64.207(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.4297e-01 1.T75 CB = 68.623(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.9705e-01 1.T75 CG2 = 23.194(D), Expected = 21.55, Std = 1.1100, ChiSquare = 1.3858e-01 1.T75 H = 8.021(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.2392e-01 1.T75 HA = 4.112(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.6845e-01 1.T75 HB = 4.370(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.4447e-01 1.T75 HG21 = 1.372(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.1312e-01 1.T75 HG22 = 1.372(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.1312e-01 1.T75 HG23 = 1.372(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.1312e-01 1.T75 N = 109.197(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.9016e-01 1.K76 CA = 55.037(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.8455e-01 1.K76 CB = 34.780(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.6358e-01 1.K76 CG = 23.848(D), Expected = 24.89, Std = 1.1300, ChiSquare = 3.5646e-01 1.K76 CD = 27.669(D), Expected = 28.96, Std = 1.0800, ChiSquare = 2.3194e-01 1.K76 CE = 41.821(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.3294e-01 1.K76 H = 7.563(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.9602e-01 1.K76 HA = 4.526(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.6069e-01 1.K76 HB2 = 1.435(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.6759e-01 1.K76 HB3 = 1.710(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.1153e-01 1.K76 HG2 = 1.263(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.8068e-01 1.K76 HG3 = 1.263(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.5602e-01 1.K76 HD2 = 1.606(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.8549e-01 1.K76 HD3 = 1.606(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.7824e-01 1.K76 HE2 = 2.818(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.9138e-01 1.K76 HE3 = 2.970(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.6418e-01 1.K76 N = 117.278(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.1705e-01 1.K77 CA = 56.551(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.5608e-01 1.K77 CB = 34.791(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.6095e-01 1.K77 CG = 24.776(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.1964e-01 1.K77 CD = 29.107(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.9173e-01 1.K77 CE = 42.622(D), Expected = 41.89, Std = 0.8200, ChiSquare = 3.7203e-01 1.K77 H = 7.005(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.8268e-02 1.K77 HA = 4.307(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.3298e-01 1.K77 HB2 = 1.448(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.8418e-01 1.K77 HB3 = 1.991(D), Expected = 1.74, Std = 0.2700, ChiSquare = 3.5256e-01 1.K77 HG2 = 1.272(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.0623e-01 1.K77 HG3 = 1.695(D), Expected = 1.35, Std = 0.2800, ChiSquare = 2.1790e-01 1.K77 HD2 = 1.634(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.1313e-01 1.K77 HD3 = 1.821(D), Expected = 1.60, Std = 0.2200, ChiSquare = 3.1512e-01 1.K77 HE2 = 2.997(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.8528e-01 1.K77 HE3 = 2.808(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.1005e-01 1.K77 N = 119.682(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.1671e-01 1.D78 CA = 52.795(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.5056e-01 1.D78 CB = 43.824(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.9174e-02 1.D78 H = 8.591(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.2804e-01 1.D78 HA = 5.978(S), Expected = 4.59, Std = 0.3200, ChiSquare = 1.4411e-05 1.D78 HB2 = 2.446(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.9195e-01 1.D78 HB3 = 2.877(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.3834e-01 1.D78 N = 127.254(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7103e-02 1.T79 CA = 60.558(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.2107e-01 1.T79 CB = 71.462(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.8797e-01 1.T79 CG2 = 22.057(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.4785e-01 1.T79 H = 9.401(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.1127e-02 1.T79 HA = 4.484(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.6012e-01 1.T79 HB = 4.029(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.6918e-01 1.T79 HG1 = 4.285(D), Expected = 4.92, Std = 1.5800, ChiSquare = 6.8776e-01 1.T79 HG21 = 1.007(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.6309e-01 1.T79 HG22 = 1.007(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.6309e-01 1.T79 HG23 = 1.007(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.6309e-01 1.T79 N = 110.570(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.0723e-01 1.H80 CA = 54.132(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.0125e-01 1.H80 CB = 30.946(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.3306e-01 1.H80 CD2 = 121.960(D), Expected = 120.49, Std = 3.4200, ChiSquare = 6.6732e-01 1.H80 H = 8.065(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.9691e-01 1.H80 HA = 4.921(D), Expected = 4.61, Std = 0.4300, ChiSquare = 4.6952e-01 1.H80 HB3 = 3.052(D), Expected = 3.04, Std = 0.3800, ChiSquare = 9.7481e-01 1.H80 HD2 = 6.502(D), Expected = 7.00, Std = 0.4300, ChiSquare = 2.4681e-01 1.H80 N = 121.346(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.7887e-01 1.H81 CA = 53.599(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.0605e-01 1.H81 CB = 29.876(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.6042e-01 1.H81 CD2 = 130.227(D), Expected = 120.49, Std = 3.4200, ChiSquare = 4.4123e-03 1.H81 CE1 = 140.544(D), Expected = 137.71, Std = 2.1200, ChiSquare = 1.8129e-01 1.H81 H = 9.426(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.1139e-02 1.H81 HA = 5.410(D), Expected = 4.61, Std = 0.4300, ChiSquare = 6.2820e-02 1.H81 HB2 = 3.545(D), Expected = 3.10, Std = 0.3600, ChiSquare = 2.1642e-01 1.H81 HB3 = 3.395(D), Expected = 3.04, Std = 0.3800, ChiSquare = 3.5020e-01 1.H81 HD1 = 13.445(D), Expected = 8.68, Std = 2.6200, ChiSquare = 6.8957e-02 1.H81 HD2 = 7.351(D), Expected = 7.00, Std = 0.4300, ChiSquare = 4.1434e-01 1.H81 HE1 = 7.937(D), Expected = 7.95, Std = 0.4800, ChiSquare = 9.7839e-01 1.H81 N = 125.696(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.3323e-01 1.H81 ND1 = 169.021(D), Expected = 195.02, Std = 18.5100, ChiSquare = 1.6014e-01 1.K82 CA = 55.452(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.9593e-01 1.K82 CB = 35.487(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.2973e-01 1.K82 CG = 24.834(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.6048e-01 1.K82 CD = 29.192(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.2991e-01 1.K82 CE = 41.372(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.2758e-01 1.K82 H = 9.083(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3666e-01 1.K82 HA = 5.096(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.0481e-02 1.K82 HB3 = 1.539(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.5661e-01 1.K82 HG2 = 1.042(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.0711e-01 1.K82 HD3 = 1.390(D), Expected = 1.60, Std = 0.2200, ChiSquare = 3.3981e-01 1.K82 HE3 = 2.472(D), Expected = 2.91, Std = 0.2000, ChiSquare = 2.8524e-02 1.K82 N = 125.666(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.2080e-01 1.D83 CA = 55.776(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.9267e-01 1.D83 CB = 39.929(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.5718e-01 1.D83 H = 8.981(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.4731e-01 1.D83 HA = 3.894(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.9630e-02 1.D83 HB2 = 3.009(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.6634e-01 1.D83 HB3 = 2.557(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.1298e-01 1.D83 N = 121.242(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7811e-01 1.W84 CA = 54.330(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.9681e-01 1.W84 CB = 32.443(D), Expected = 30.01, Std = 2.0100, ChiSquare = 2.2611e-01 1.W84 CD1 = 127.909(D), Expected = 126.51, Std = 1.8300, ChiSquare = 4.4458e-01 1.W84 CZ2 = 112.955(D), Expected = 114.26, Std = 1.1200, ChiSquare = 2.4395e-01 1.W84 CZ3 = 122.381(D), Expected = 121.35, Std = 1.5300, ChiSquare = 5.0040e-01 1.W84 H = 8.857(D), Expected = 8.29, Std = 0.7900, ChiSquare = 4.7293e-01 1.W84 HA = 5.046(D), Expected = 4.68, Std = 0.5300, ChiSquare = 4.8984e-01 1.W84 HB2 = 3.730(D), Expected = 3.19, Std = 0.3500, ChiSquare = 1.2287e-01 1.W84 HB3 = 2.328(D), Expected = 3.12, Std = 0.3600, ChiSquare = 2.7807e-02 1.W84 HD1 = 6.364(D), Expected = 7.14, Std = 0.3600, ChiSquare = 3.1118e-02 1.W84 HE1 = 7.958(D), Expected = 10.08, Std = 0.6600, ChiSquare = 1.3038e-03 1.W84 HZ2 = 6.513(D), Expected = 7.28, Std = 0.3300, ChiSquare = 2.0113e-02 1.W84 HZ3 = 6.186(D), Expected = 6.86, Std = 0.4000, ChiSquare = 9.1989e-02 1.W84 N = 118.909(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.0738e-01 1.W84 NE1 = 123.640(D), Expected = 129.32, Std = 2.1100, ChiSquare = 7.1037e-03 1.A85 CA = 49.416(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.9998e-02 1.A85 CB = 22.314(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.1002e-02 1.A85 H = 9.102(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.3275e-01 1.A85 HA = 5.213(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.0318e-02 1.A85 HB1 = 1.476(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.2795e-01 1.A85 HB2 = 1.476(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.2795e-01 1.A85 HB3 = 1.476(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.2795e-01 1.A85 N = 120.645(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.6525e-01 1.L86 CA = 56.040(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.4368e-01 1.L86 CB = 41.243(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.7034e-01 1.L86 CG = 27.439(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.4911e-01 1.L86 CD1 = 26.041(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.0608e-01 1.L86 CD2 = 24.055(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.9765e-01 1.L86 H = 9.643(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.9717e-02 1.L86 HA = 4.632(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.0680e-01 1.L86 HB2 = 1.897(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.9860e-01 1.L86 HB3 = 1.549(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.3580e-01 1.L86 HG = 1.902(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.3488e-01 1.L86 HD11 = 0.730(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4306e-01 1.L86 HD12 = 0.730(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4306e-01 1.L86 HD13 = 0.730(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4306e-01 1.L86 HD21 = 0.792(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3071e-01 1.L86 HD22 = 0.792(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3071e-01 1.L86 HD23 = 0.792(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3071e-01 1.L86 N = 124.498(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.9878e-01 1.G87 CA = 45.471(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2805e-01 1.G87 H = 10.061(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7430e-03 1.G87 HA2 = 3.507(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.1081e-01 1.G87 HA3 = 4.236(D), Expected = 3.90, Std = 0.3700, ChiSquare = 3.6382e-01 1.G87 N = 110.765(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7722e-01 1.E88 CA = 55.181(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.0610e-01 1.E88 CB = 32.129(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.1796e-01 1.E88 CG = 36.941(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.8498e-01 1.E88 H = 7.835(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.0148e-01 1.E88 HA = 4.777(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.9866e-01 1.E88 HB2 = 1.962(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.8240e-01 1.E88 HB3 = 2.571(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.1534e-02 1.E88 HG2 = 2.346(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.1742e-01 1.E88 HG3 = 2.200(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.2021e-01 1.E88 N = 121.281(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.6063e-01 1.E89 CA = 57.359(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.8511e-01 1.E89 CB = 31.936(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.6281e-01 1.E89 CG = 37.860(D), Expected = 36.11, Std = 1.1900, ChiSquare = 1.4140e-01 1.E89 H = 8.882(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.4948e-01 1.E89 HA = 4.742(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.3014e-01 1.E89 HB2 = 1.841(D), Expected = 2.02, Std = 0.2100, ChiSquare = 3.9400e-01 1.E89 HB3 = 1.906(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.1495e-01 1.E89 HG2 = 1.850(D), Expected = 2.27, Std = 0.2100, ChiSquare = 4.5500e-02 1.E89 HG3 = 1.721(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.6193e-02 1.E89 N = 134.415(S), Expected = 120.67, Std = 3.4800, ChiSquare = 7.8245e-05 1.F90 CA = 55.677(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.4978e-01 1.F90 CB = 41.852(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.7298e-01 1.F90 CD1 = 133.305(D), Expected = 131.58, Std = 1.1800, ChiSquare = 1.4378e-01 1.F90 CD2 = 133.305(D), Expected = 131.63, Std = 1.1200, ChiSquare = 1.3477e-01 1.F90 CE1 = 130.590(D), Expected = 130.71, Std = 1.3000, ChiSquare = 9.2645e-01 1.F90 CE2 = 130.590(D), Expected = 130.76, Std = 1.1300, ChiSquare = 8.8042e-01 1.F90 CZ = 128.485(D), Expected = 129.21, Std = 1.4300, ChiSquare = 6.1216e-01 1.F90 H = 8.991(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.8082e-01 1.F90 HA = 5.112(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.9777e-01 1.F90 HB2 = 3.239(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.1831e-01 1.F90 HB3 = 3.239(D), Expected = 2.93, Std = 0.4000, ChiSquare = 4.3982e-01 1.F90 HD1 = 7.341(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.6470e-01 1.F90 HD2 = 7.341(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.6470e-01 1.F90 HE1 = 7.050(D), Expected = 7.08, Std = 0.3100, ChiSquare = 9.2291e-01 1.F90 HE2 = 7.050(D), Expected = 7.08, Std = 0.3200, ChiSquare = 9.2531e-01 1.F90 HZ = 6.617(D), Expected = 7.00, Std = 0.4200, ChiSquare = 3.6182e-01 1.F90 N = 125.037(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.7248e-01 1.Q91 CA = 53.912(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.1422e-01 1.Q91 CB = 31.132(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.8596e-01 1.Q91 CG = 34.456(D), Expected = 33.76, Std = 1.1100, ChiSquare = 5.3064e-01 1.Q91 H = 8.805(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.2143e-01 1.Q91 HA = 5.500(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.1827e-03 1.Q91 HB2 = 1.904(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.5922e-01 1.Q91 HB3 = 1.959(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.2754e-01 1.Q91 HG2 = 1.971(D), Expected = 2.32, Std = 0.2700, ChiSquare = 1.9615e-01 1.Q91 HG3 = 2.466(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.4392e-01 1.Q91 HE21 = 6.883(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.2758e-01 1.Q91 HE22 = 8.040(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.0439e-02 1.Q91 N = 121.094(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3804e-01 1.Q91 NE2 = 112.683(D), Expected = 111.87, Std = 1.7200, ChiSquare = 6.3645e-01 1.D92 CA = 52.715(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.3060e-01 1.D92 CB = 45.771(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.5350e-03 1.D92 H = 9.093(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.7702e-01 1.D92 HA = 5.173(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.8474e-02 1.D92 HB2 = 2.601(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.4717e-01 1.D92 HB3 = 3.237(D), Expected = 2.66, Std = 0.2800, ChiSquare = 3.9330e-02 1.D92 N = 124.053(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.7799e-01 1.E93 CA = 56.489(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.9092e-01 1.E93 CB = 30.587(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.3727e-01 1.E93 CG = 36.955(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.7765e-01 1.E93 H = 8.352(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7026e-01 1.E93 HA = 4.355(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.9788e-01 1.E93 HB2 = 1.907(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.9051e-01 1.E93 HB3 = 1.907(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.1820e-01 1.E93 HG2 = 1.958(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.3735e-01 1.E93 HG3 = 2.551(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.7125e-01 1.E93 N = 121.377(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.3901e-01 1.A94 CA = 50.483(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7962e-01 1.A94 CB = 19.803(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.6477e-01 1.A94 H = 8.209(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8803e-01 1.A94 HA = 4.665(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.5734e-01 1.A94 HB1 = 0.821(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.1890e-02 1.A94 HB2 = 0.821(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.1890e-02 1.A94 HB3 = 0.821(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.1890e-02 1.A94 N = 129.753(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.5380e-02 1.L95 CA = 57.528(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7037e-01 1.L95 CB = 42.741(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.1867e-01 1.L95 CG = 27.413(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.6498e-01 1.L95 CD1 = 24.832(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.4384e-01 1.L95 CD2 = 26.107(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.2628e-01 1.L95 H = 9.231(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2356e-01 1.L95 HA = 3.642(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.4915e-01 1.L95 HB2 = 1.723(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.3962e-01 1.L95 HB3 = 1.240(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.3670e-01 1.L95 HG = 1.819(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.4909e-01 1.L95 HD11 = 0.808(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.3590e-01 1.L95 HD12 = 0.808(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.3590e-01 1.L95 HD13 = 0.808(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.3590e-01 1.L95 HD21 = 0.818(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.6155e-01 1.L95 HD22 = 0.818(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.6155e-01 1.L95 HD23 = 0.818(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.6155e-01 1.L95 N = 120.582(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.4314e-01 1.D96 CA = 53.394(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.2320e-01 1.D96 CB = 39.725(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.7587e-01 1.D96 H = 7.126(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.1213e-02 1.D96 HA = 4.212(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.3750e-01 1.D96 HB2 = 2.493(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.8262e-01 1.D96 HB3 = 3.157(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.5898e-02 1.D96 N = 113.328(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.7843e-02 1.S97 CA = 60.956(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.8006e-01 1.S97 CB = 60.892(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.9430e-02 1.S97 H = 8.293(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.8242e-01 1.S97 HA = 4.254(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.7207e-01 1.S97 HB2 = 4.119(D), Expected = 3.88, Std = 0.2500, ChiSquare = 3.3907e-01 1.S97 HB3 = 4.413(D), Expected = 3.85, Std = 0.2700, ChiSquare = 3.7053e-02 1.S97 N = 107.403(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.1673e-02 1.T98 CA = 60.070(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.0647e-01 1.T98 CB = 71.775(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.0962e-01 1.T98 CG2 = 21.654(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.2535e-01 1.T98 H = 8.260(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.7427e-01 1.T98 HA = 4.889(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.7146e-01 1.T98 HB = 4.330(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.2778e-01 1.T98 HG21 = 1.065(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4436e-01 1.T98 HG22 = 1.065(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4436e-01 1.T98 HG23 = 1.065(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4436e-01 1.T98 N = 112.678(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.6376e-01 1.Q99 CA = 54.979(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.5720e-01 1.Q99 CB = 29.233(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.8115e-01 1.Q99 CG = 33.544(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.4571e-01 1.Q99 H = 8.560(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.6443e-01 1.Q99 HA = 4.534(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.4851e-01 1.Q99 HB2 = 1.926(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.1989e-01 1.Q99 HB3 = 2.022(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.9430e-01 1.Q99 HG2 = 2.393(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.8688e-01 1.Q99 HG3 = 2.393(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.2246e-01 1.Q99 HE21 = 7.891(D), Expected = 7.24, Std = 0.4500, ChiSquare = 1.4799e-01 1.Q99 HE22 = 7.018(D), Expected = 7.02, Std = 0.4400, ChiSquare = 9.9637e-01 1.Q99 N = 115.340(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.0627e-01 1.Q99 NE2 = 114.218(D), Expected = 111.87, Std = 1.7200, ChiSquare = 1.7222e-01 1.H100 CA = 52.852(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.1231e-01 1.H100 CB = 35.461(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.1662e-02 1.H100 CD2 = 116.063(D), Expected = 120.49, Std = 3.4200, ChiSquare = 1.9551e-01 1.H100 CE1 = 134.670(D), Expected = 137.71, Std = 2.1200, ChiSquare = 1.5158e-01 1.H100 H = 9.427(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.0883e-02 1.H100 HA = 5.459(D), Expected = 4.61, Std = 0.4300, ChiSquare = 4.8334e-02 1.H100 HB2 = 2.770(D), Expected = 3.10, Std = 0.3600, ChiSquare = 3.5932e-01 1.H100 HB3 = 2.770(D), Expected = 3.04, Std = 0.3800, ChiSquare = 4.7738e-01 1.H100 HD2 = 7.040(D), Expected = 7.00, Std = 0.4300, ChiSquare = 9.2589e-01 1.H100 HE1 = 8.301(D), Expected = 7.95, Std = 0.4800, ChiSquare = 4.6463e-01 1.H100 N = 123.015(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.0583e-01 1.K101 CA = 55.425(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8820e-01 1.K101 CB = 32.554(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.9452e-01 1.K101 CG = 25.228(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.6485e-01 1.K101 CD = 29.264(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.7834e-01 1.K101 CE = 41.996(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.9715e-01 1.K101 H = 9.361(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.0978e-02 1.K101 HA = 4.702(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.2619e-01 1.K101 HB2 = 1.567(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.9421e-01 1.K101 HB3 = 1.388(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.9233e-01 1.K101 HG2 = 1.231(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.9292e-01 1.K101 HG3 = 1.137(D), Expected = 1.35, Std = 0.2800, ChiSquare = 4.4683e-01 1.K101 HE2 = 2.813(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.7333e-01 1.K101 HE3 = 2.813(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.2768e-01 1.K101 N = 119.915(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.6337e-01 1.I102 CA = 58.975(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.2550e-01 1.I102 CB = 39.555(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.4701e-01 1.I102 CG1 = 27.392(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.4987e-01 1.I102 CG2 = 16.630(D), Expected = 17.53, Std = 1.3600, ChiSquare = 5.0812e-01 1.I102 CD1 = 13.766(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.4054e-01 1.I102 H = 8.942(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.3029e-01 1.I102 HA = 4.601(D), Expected = 4.18, Std = 0.5600, ChiSquare = 4.5218e-01 1.I102 HB = -0.232(S), Expected = 1.78, Std = 0.2900, ChiSquare = 3.9788e-12 1.I102 HG12 = 0.856(D), Expected = 1.28, Std = 0.4000, ChiSquare = 2.8914e-01 1.I102 HG13 = -0.733(S), Expected = 1.19, Std = 0.4100, ChiSquare = 2.7288e-06 1.I102 HG21 = -0.481(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.5982e-06 1.I102 HG22 = -0.481(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.5982e-06 1.I102 HG23 = -0.481(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.5982e-06 1.I102 HD11 = 0.076(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.7273e-02 1.I102 HD12 = 0.076(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.7273e-02 1.I102 HD13 = 0.076(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.7273e-02 1.I102 N = 128.653(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.2839e-02 1.T103 CA = 61.816(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.7605e-01 1.T103 CB = 71.634(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.4277e-01 1.T103 CG2 = 20.661(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.2319e-01 1.T103 H = 7.796(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.7391e-01 1.T103 HA = 4.292(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.2634e-01 1.T103 HB = 3.525(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.0637e-02 1.T103 HG21 = 0.873(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.4569e-01 1.T103 HG22 = 0.873(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.4569e-01 1.T103 HG23 = 0.873(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.4569e-01 1.T103 N = 116.914(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.5312e-01 1.F104 CA = 56.997(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.7346e-01 1.F104 CB = 41.747(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.0053e-01 1.F104 CD1 = 130.748(D), Expected = 131.58, Std = 1.1800, ChiSquare = 4.8076e-01 1.F104 CD2 = 130.748(D), Expected = 131.63, Std = 1.1200, ChiSquare = 4.3099e-01 1.F104 H = 10.122(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.4396e-02 1.F104 HA = 5.683(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.4694e-02 1.F104 HB2 = 2.355(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.1291e-02 1.F104 HB3 = 2.355(D), Expected = 2.93, Std = 0.4000, ChiSquare = 1.5058e-01 1.F104 HD1 = 6.366(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.5175e-02 1.F104 HD2 = 6.366(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.5175e-02 1.F104 N = 132.890(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.9196e-03 1.D105 CA = 53.193(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.6086e-01 1.D105 CB = 44.661(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.9598e-02 1.D105 H = 9.173(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.3677e-01 1.D105 HA = 4.880(D), Expected = 4.59, Std = 0.3200, ChiSquare = 3.6480e-01 1.D105 HB2 = 2.460(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.1731e-01 1.D105 HB3 = 2.265(D), Expected = 2.66, Std = 0.2800, ChiSquare = 1.5833e-01 1.D105 N = 121.700(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.8561e-01 1.L106 CA = 53.071(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3142e-01 1.L106 CB = 43.122(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.6580e-01 1.L106 CG = 26.762(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.8694e-01 1.L106 CD1 = 25.576(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.9033e-01 1.L106 CD2 = 24.492(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.9486e-01 1.L106 H = 9.023(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2246e-01 1.L106 HA = 5.089(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.0180e-01 1.L106 HB2 = 1.240(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.7649e-01 1.L106 HB3 = 1.694(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.2886e-01 1.L106 HG = 1.506(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.9033e-01 1.L106 HD11 = 0.839(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5059e-01 1.L106 HD12 = 0.839(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5059e-01 1.L106 HD13 = 0.839(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5059e-01 1.L106 HD21 = 0.796(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1997e-01 1.L106 HD22 = 0.796(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1997e-01 1.L106 HD23 = 0.796(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1997e-01 1.L106 N = 122.093(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.5236e-01 1.K107 CA = 58.485(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8535e-01 1.K107 CB = 34.145(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.4652e-01 1.K107 CG = 24.858(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.7741e-01 1.K107 CD = 29.614(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.4481e-01 1.K107 CE = 41.834(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.4555e-01 1.K107 H = 8.377(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5529e-01 1.K107 HA = 4.077(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.6092e-01 1.K107 HB2 = 1.797(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.4579e-01 1.K107 HB3 = 1.546(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.7244e-01 1.K107 HG2 = 1.441(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.8479e-01 1.K107 HG3 = 1.354(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.8860e-01 1.K107 HD2 = 1.537(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.4003e-01 1.K107 HD3 = 1.537(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.7460e-01 1.K107 HE2 = 2.909(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.5383e-01 1.K107 HE3 = 2.909(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.9601e-01 1.K107 N = 128.144(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.9877e-02 1.D108 CA = 52.500(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.8067e-01 1.D108 CB = 40.059(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.1230e-01 1.D108 H = 8.433(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.3205e-01 1.D108 HA = 4.561(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.2779e-01 1.D108 HB2 = 3.095(D), Expected = 2.72, Std = 0.2600, ChiSquare = 1.4922e-01 1.D108 HB3 = 2.936(D), Expected = 2.66, Std = 0.2800, ChiSquare = 3.2427e-01 1.D108 N = 115.780(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.0707e-01 1.P109 CA = 65.671(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.2353e-01 1.P109 CB = 32.370(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.5945e-01 1.P109 CG = 27.959(D), Expected = 27.17, Std = 1.0900, ChiSquare = 4.6916e-01 1.P109 CD = 50.820(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.1352e-01 1.P109 HA = 4.304(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.7112e-01 1.P109 HB2 = 2.512(D), Expected = 2.08, Std = 0.3500, ChiSquare = 2.1710e-01 1.P109 HB3 = 1.725(D), Expected = 2.00, Std = 0.3600, ChiSquare = 4.4493e-01 1.P109 HG2 = 1.931(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.9743e-01 1.P109 HG3 = 2.088(D), Expected = 1.90, Std = 0.3300, ChiSquare = 5.6888e-01 1.P109 HD2 = 3.605(D), Expected = 3.65, Std = 0.3500, ChiSquare = 8.9770e-01 1.P109 HD3 = 3.806(D), Expected = 3.61, Std = 0.3900, ChiSquare = 6.1527e-01 1.N110 CA = 52.257(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.9496e-01 1.N110 CB = 41.747(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.0470e-02 1.N110 H = 8.304(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.5443e-01 1.N110 HA = 5.021(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.2956e-01 1.N110 HB2 = 3.013(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.1257e-01 1.N110 HB3 = 2.700(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.7957e-01 1.N110 HD21 = 7.795(D), Expected = 7.35, Std = 0.4800, ChiSquare = 3.5388e-01 1.N110 HD22 = 7.091(D), Expected = 7.14, Std = 0.4900, ChiSquare = 9.2034e-01 1.N110 N = 110.362(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.3499e-02 1.N110 ND2 = 115.259(D), Expected = 112.75, Std = 2.2300, ChiSquare = 2.6054e-01 1.T111 CA = 62.732(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4329e-01 1.T111 CB = 70.128(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.0710e-01 1.T111 CG2 = 20.669(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.2737e-01 1.T111 H = 7.850(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.2933e-01 1.T111 HA = 5.138(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.5780e-01 1.T111 HB = 3.814(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.8068e-01 1.T111 HG21 = 1.006(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.6016e-01 1.T111 HG22 = 1.006(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.6016e-01 1.T111 HG23 = 1.006(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.6016e-01 1.T111 N = 118.427(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.2670e-01 1.L112 CA = 53.189(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5374e-01 1.L112 CB = 44.548(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.3388e-01 1.L112 CG = 27.024(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.2446e-01 1.L112 CD1 = 26.329(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.1156e-01 1.L112 CD2 = 23.678(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.2679e-01 1.L112 H = 8.574(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.9665e-01 1.L112 HA = 4.893(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.2279e-01 1.L112 HB2 = 1.209(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.3823e-01 1.L112 HB3 = -0.068(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.0284e-05 1.L112 HG = 1.319(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.6273e-01 1.L112 HD11 = -0.034(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.1103e-03 1.L112 HD12 = -0.034(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.1103e-03 1.L112 HD13 = -0.034(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.1103e-03 1.L112 HD21 = 0.629(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2763e-01 1.L112 HD22 = 0.629(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2763e-01 1.L112 HD23 = 0.629(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2763e-01 1.L112 N = 132.373(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0253e-03 1.T113 CA = 59.292(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.5826e-01 1.T113 CB = 70.736(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.3712e-01 1.T113 CG2 = 22.269(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.1715e-01 1.T113 H = 9.872(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.4819e-03 1.T113 HA = 5.523(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.6789e-02 1.T113 HB = 4.112(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.6048e-01 1.T113 HG21 = 1.087(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.1775e-01 1.T113 HG22 = 1.087(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.1775e-01 1.T113 HG23 = 1.087(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.1775e-01 1.T113 N = 117.491(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.6284e-01 1.E114 CA = 54.378(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5923e-01 1.E114 CB = 34.339(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.1841e-02 1.E114 H = 8.717(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1187e-01 1.E114 HA = 4.294(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.1454e-01 1.E114 HB2 = 2.105(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.8565e-01 1.E114 HB3 = 2.105(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.1707e-01 1.E114 N = 124.865(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.2803e-01 1.T115 CA = 62.739(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4118e-01 1.T115 CB = 70.237(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.5577e-01 1.T115 CG2 = 20.928(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.7523e-01 1.T115 H = 8.746(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.1443e-01 1.T115 HA = 4.912(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.4636e-01 1.T115 HB = 3.659(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.2151e-01 1.T115 HG21 = 0.947(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0140e-01 1.T115 HG22 = 0.947(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0140e-01 1.T115 HG23 = 0.947(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.0140e-01 1.T115 N = 125.108(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.1392e-02 1.H116 CA = 55.312(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.0101e-01 1.H116 CB = 31.668(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.9029e-01 1.H116 CD2 = 117.891(D), Expected = 120.49, Std = 3.4200, ChiSquare = 4.4729e-01 1.H116 H = 9.414(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.4263e-02 1.H116 HA = 4.577(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.3883e-01 1.H116 HB2 = 2.783(D), Expected = 3.10, Std = 0.3600, ChiSquare = 3.7856e-01 1.H116 HB3 = 2.783(D), Expected = 3.04, Std = 0.3800, ChiSquare = 4.9884e-01 1.H116 HD2 = 6.143(D), Expected = 7.00, Std = 0.4300, ChiSquare = 4.6259e-02 1.H116 N = 124.516(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.2762e-01 1.I117 CA = 60.173(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.9182e-01 1.I117 CB = 40.971(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.4649e-01 1.I117 CG1 = 27.536(D), Expected = 27.71, Std = 1.6800, ChiSquare = 9.1751e-01 1.I117 CG2 = 16.627(D), Expected = 17.53, Std = 1.3600, ChiSquare = 5.0671e-01 1.I117 CD1 = 13.824(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.1349e-01 1.I117 H = 9.096(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.3014e-01 1.I117 HA = 4.834(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.4286e-01 1.I117 HB = 1.585(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.0132e-01 1.I117 HG12 = 1.375(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.1227e-01 1.I117 HG13 = 1.001(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.4482e-01 1.I117 HG21 = 0.809(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.8515e-01 1.I117 HG22 = 0.809(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.8515e-01 1.I117 HG23 = 0.809(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.8515e-01 1.I117 HD11 = 0.792(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9934e-01 1.I117 HD12 = 0.792(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9934e-01 1.I117 HD13 = 0.792(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9934e-01 1.I117 N = 125.469(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.4892e-01 1.K118 CA = 58.564(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.6317e-01 1.K118 CB = 31.630(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.1460e-01 1.K118 CG = 25.930(D), Expected = 24.89, Std = 1.1300, ChiSquare = 3.5739e-01 1.K118 CD = 29.381(D), Expected = 28.96, Std = 1.0800, ChiSquare = 6.9667e-01 1.K118 CE = 42.484(D), Expected = 41.89, Std = 0.8200, ChiSquare = 4.6883e-01 1.K118 H = 7.499(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.4946e-01 1.K118 HA = 3.825(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.1184e-01 1.K118 HB2 = 1.793(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.5853e-01 1.K118 HB3 = 2.029(D), Expected = 1.74, Std = 0.2700, ChiSquare = 2.8445e-01 1.K118 HG2 = 1.342(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.1424e-01 1.K118 HG3 = 0.706(D), Expected = 1.35, Std = 0.2800, ChiSquare = 2.1448e-02 1.K118 HD2 = 1.604(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.7824e-01 1.K118 HD3 = 1.406(D), Expected = 1.60, Std = 0.2200, ChiSquare = 3.7788e-01 1.K118 HE2 = 2.719(D), Expected = 2.92, Std = 0.1900, ChiSquare = 2.9010e-01 1.K118 HE3 = 2.845(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.4518e-01 1.K118 N = 127.222(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.0160e-01 1.V119 CA = 66.496(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6130e-01 1.V119 CB = 31.308(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.2696e-01 1.V119 CG1 = 20.875(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.5112e-01 1.V119 CG2 = 23.852(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.6605e-02 1.V119 H = 7.926(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.8693e-01 1.V119 HA = 3.474(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.1702e-01 1.V119 HB = 1.941(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.0300e-01 1.V119 HG11 = 0.856(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2034e-01 1.V119 HG12 = 0.856(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2034e-01 1.V119 HG13 = 0.856(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2034e-01 1.V119 HG21 = 0.780(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4306e-01 1.V119 HG22 = 0.780(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4306e-01 1.V119 HG23 = 0.780(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4306e-01 1.V119 N = 125.841(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.0045e-01 1.D120 CA = 55.171(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.1270e-01 1.D120 CB = 40.906(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.8720e-01 1.D120 H = 8.809(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.8960e-01 1.D120 HA = 4.486(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.4518e-01 1.D120 HB2 = 2.764(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.6562e-01 1.D120 HB3 = 2.501(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.7013e-01 1.D120 N = 115.385(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.7257e-01 1.D121 CA = 51.869(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6463e-01 1.D121 CB = 40.682(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.0272e-01 1.D121 H = 6.707(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.7134e-03 1.D121 HA = 4.798(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.1569e-01 1.D121 HB2 = 2.547(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.0580e-01 1.D121 HB3 = 2.718(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.3590e-01 1.D121 N = 112.574(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.6418e-02 1.P122 CA = 63.917(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.9936e-01 1.P122 CB = 31.675(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.8210e-01 1.P122 CG = 27.015(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.8692e-01 1.P122 CD = 50.313(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.9436e-01 1.P122 HA = 4.492(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.8041e-01 1.P122 HB2 = 2.219(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.9126e-01 1.P122 HB3 = 1.940(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.6763e-01 1.P122 HG2 = 2.006(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.0633e-01 1.P122 HG3 = 1.932(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.2275e-01 1.P122 HD2 = 3.796(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.7657e-01 1.P122 HD3 = 3.493(D), Expected = 3.61, Std = 0.3900, ChiSquare = 7.6418e-01 1.T123 CA = 62.640(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.7118e-01 1.T123 CB = 69.100(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.9912e-01 1.T123 CG2 = 21.748(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.5843e-01 1.T123 H = 7.573(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.8201e-01 1.T123 HA = 4.313(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.5941e-01 1.T123 HB = 4.348(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.8961e-01 1.T123 HG21 = 1.214(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4765e-01 1.T123 HG22 = 1.214(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4765e-01 1.T123 HG23 = 1.214(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.4765e-01 1.T123 N = 107.026(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.7202e-02 1.D124 CA = 54.475(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.1565e-01 1.D124 CB = 41.126(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.7930e-01 1.D124 H = 8.456(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.0125e-01 1.D124 HA = 4.646(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.6108e-01 1.D124 HB2 = 2.275(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.6982e-02 1.D124 HB3 = 3.232(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.1067e-02 1.D124 N = 127.075(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.6011e-02 1.V125 CA = 60.175(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.1826e-01 1.V125 CB = 34.662(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.8044e-01 1.V125 CG1 = 20.949(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.9078e-01 1.V125 CG2 = 20.108(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.6023e-01 1.V125 H = 7.174(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5779e-02 1.V125 HA = 4.896(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.2351e-01 1.V125 HB = 1.891(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.8092e-01 1.V125 HG11 = 0.862(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0205e-01 1.V125 HG12 = 0.862(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0205e-01 1.V125 HG13 = 0.862(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0205e-01 1.V125 HG21 = 0.787(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.6297e-01 1.V125 HG22 = 0.787(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.6297e-01 1.V125 HG23 = 0.787(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.6297e-01 1.V125 N = 123.585(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.9020e-01 1.E126 CA = 55.756(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5426e-01 1.E126 CB = 33.686(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.2581e-02 1.E126 CG = 36.878(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.1868e-01 1.E126 H = 8.740(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.8711e-01 1.E126 HA = 4.854(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.4070e-01 1.E126 HB2 = 1.816(D), Expected = 2.02, Std = 0.2100, ChiSquare = 3.3134e-01 1.E126 HB3 = 1.998(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.7225e-01 1.E126 HG2 = 2.848(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.9164e-03 1.E126 HG3 = 2.257(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.7462e-01 1.E126 N = 127.368(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4265e-02 1.T127 CA = 62.121(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.6951e-01 1.T127 CB = 71.355(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.1880e-01 1.T127 CG2 = 22.790(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.6394e-01 1.T127 H = 8.916(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.7557e-01 1.T127 HA = 4.912(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.4636e-01 1.T127 HB = 3.826(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.9722e-01 1.T127 HG21 = 1.129(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.6186e-01 1.T127 HG22 = 1.129(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.6186e-01 1.T127 HG23 = 1.129(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.6186e-01 1.T127 N = 122.873(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.1664e-01 1.Y128 CA = 52.838(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.4999e-02 1.Y128 CB = 39.055(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.0236e-01 1.Y128 CD1 = 131.935(D), Expected = 132.77, Std = 1.1700, ChiSquare = 4.7543e-01 1.Y128 CD2 = 131.935(D), Expected = 132.73, Std = 1.3000, ChiSquare = 5.4084e-01 1.Y128 CE1 = 117.517(D), Expected = 117.93, Std = 1.1900, ChiSquare = 7.2855e-01 1.Y128 CE2 = 117.517(D), Expected = 117.90, Std = 1.1800, ChiSquare = 7.4550e-01 1.Y128 H = 9.129(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.6777e-01 1.Y128 HA = 5.255(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.6439e-01 1.Y128 HB2 = 2.794(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.5389e-01 1.Y128 HB3 = 2.794(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.0611e-01 1.Y128 HD1 = 6.949(D), Expected = 6.93, Std = 0.3000, ChiSquare = 9.4950e-01 1.Y128 HD2 = 6.949(D), Expected = 6.93, Std = 0.3000, ChiSquare = 9.4950e-01 1.Y128 HE1 = 6.374(D), Expected = 6.70, Std = 0.2300, ChiSquare = 1.5637e-01 1.Y128 HE2 = 6.374(D), Expected = 6.71, Std = 0.2300, ChiSquare = 1.4405e-01 1.Y128 N = 130.617(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.6215e-02 1.E129 CA = 54.828(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3313e-01 1.E129 CB = 33.504(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.2215e-02 1.E129 CG = 36.565(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.0220e-01 1.E129 H = 8.375(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3920e-01 1.E129 HA = 5.050(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.1031e-02 1.E129 HB2 = 1.886(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.2341e-01 1.E129 HB3 = 1.756(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.0897e-01 1.E129 HG2 = 2.259(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.5823e-01 1.E129 HG3 = 2.259(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.6737e-01 1.E129 N = 119.470(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3022e-01 1.Y130 CA = 56.922(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.3032e-01 1.Y130 CB = 41.426(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.2956e-01 1.Y130 CD1 = 132.319(D), Expected = 132.77, Std = 1.1700, ChiSquare = 6.9989e-01 1.Y130 CD2 = 132.319(D), Expected = 132.73, Std = 1.3000, ChiSquare = 7.5189e-01 1.Y130 CE1 = 117.514(D), Expected = 117.93, Std = 1.1900, ChiSquare = 7.2665e-01 1.Y130 CE2 = 117.514(D), Expected = 117.90, Std = 1.1800, ChiSquare = 7.4358e-01 1.Y130 H = 10.006(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.0911e-02 1.Y130 HA = 5.738(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.7864e-02 1.Y130 HB2 = 2.894(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.6551e-01 1.Y130 HB3 = 2.666(D), Expected = 2.84, Std = 0.3900, ChiSquare = 6.5549e-01 1.Y130 HD1 = 6.773(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.0074e-01 1.Y130 HD2 = 6.773(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.0074e-01 1.Y130 HE1 = 7.100(D), Expected = 6.70, Std = 0.2300, ChiSquare = 8.2012e-02 1.Y130 HE2 = 7.100(D), Expected = 6.71, Std = 0.2300, ChiSquare = 8.9952e-02 1.Y130 HH = 10.287(D), Expected = 9.30, Std = 1.3600, ChiSquare = 4.6800e-01 1.Y130 N = 122.111(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.0483e-01 1.R131 CA = 54.366(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.9802e-01 1.R131 CB = 35.159(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.4826e-02 1.R131 CG = 27.849(D), Expected = 27.21, Std = 1.2000, ChiSquare = 5.9438e-01 1.R131 CD = 43.452(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.4003e-01 1.R131 H = 8.856(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.1257e-01 1.R131 HA = 5.173(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.7719e-02 1.R131 HB2 = 1.679(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.8099e-01 1.R131 HB3 = 1.943(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.1339e-01 1.R131 HG2 = 1.973(D), Expected = 1.57, Std = 0.2700, ChiSquare = 1.3554e-01 1.R131 HG3 = 1.525(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.5875e-01 1.R131 HD2 = 3.065(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.1874e-01 1.R131 HD3 = 3.135(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.9292e-01 1.R131 N = 118.116(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.6579e-01 1.R132 CA = 52.652(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.4638e-02 1.R132 CB = 29.752(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.0444e-01 1.R132 CG = 25.860(D), Expected = 27.21, Std = 1.2000, ChiSquare = 2.6059e-01 1.R132 CD = 40.523(D), Expected = 43.16, Std = 0.8800, ChiSquare = 2.7302e-03 1.R132 H = 9.444(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.8408e-02 1.R132 HA = 5.158(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.2151e-02 1.R132 HB2 = 1.716(D), Expected = 1.79, Std = 0.2700, ChiSquare = 7.8403e-01 1.R132 HB3 = 1.382(D), Expected = 1.76, Std = 0.2800, ChiSquare = 1.7702e-01 1.R132 HG2 = 0.843(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.0899e-03 1.R132 HG3 = 1.080(D), Expected = 1.54, Std = 0.2900, ChiSquare = 1.1269e-01 1.R132 HD2 = 3.150(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.0052e-01 1.R132 HD3 = 3.024(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.7005e-01 1.R132 HE = 6.628(D), Expected = 7.40, Std = 0.6300, ChiSquare = 2.2043e-01 1.R132 N = 120.893(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.7984e-01 1.R132 NE = 79.805(D), Expected = 84.63, Std = 1.6800, ChiSquare = 4.0785e-03 1.D133 CA = 53.455(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.4294e-01 1.D133 CB = 43.147(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.6170e-01 1.D133 H = 8.586(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.3417e-01 1.D133 HA = 4.805(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.0166e-01 1.D133 HB2 = 2.416(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.4231e-01 1.D133 HB3 = 2.802(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.1205e-01 1.D133 N = 124.282(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.4674e-01 1.G134 CA = 47.053(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.0377e-01 1.G134 H = 9.013(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.9336e-01 1.G134 HA2 = 3.770(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.8882e-01 1.G134 HA3 = 4.136(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.2358e-01 1.G134 N = 116.039(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9818e-02 1.D135 CA = 55.445(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.0995e-01 1.D135 CB = 40.872(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.9606e-01 1.D135 HA = 4.674(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.9294e-01 1.D135 HB2 = 2.951(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.7429e-01 1.D135 HB3 = 2.265(D), Expected = 2.66, Std = 0.2800, ChiSquare = 1.5833e-01 1.Y136 CA = 58.109(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.9332e-01 1.Y136 CB = 40.751(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.0765e-01 1.Y136 CD1 = 133.054(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.0821e-01 1.Y136 CD2 = 133.054(D), Expected = 132.73, Std = 1.3000, ChiSquare = 8.0318e-01 1.Y136 CE1 = 117.975(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.6984e-01 1.Y136 CE2 = 117.975(D), Expected = 117.90, Std = 1.1800, ChiSquare = 9.4932e-01 1.Y136 H = 8.376(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.3885e-01 1.Y136 HA = 5.391(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.7417e-01 1.Y136 HB2 = 2.880(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.3538e-01 1.Y136 HB3 = 3.281(D), Expected = 2.84, Std = 0.3900, ChiSquare = 2.5815e-01 1.Y136 HD1 = 7.126(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.1354e-01 1.Y136 HD2 = 7.126(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.1354e-01 1.Y136 HE1 = 6.848(D), Expected = 6.70, Std = 0.2300, ChiSquare = 5.1991e-01 1.Y136 HE2 = 6.848(D), Expected = 6.71, Std = 0.2300, ChiSquare = 5.4851e-01 1.Y136 N = 115.117(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.9829e-01 1.L137 CA = 54.360(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.5415e-01 1.L137 CB = 44.804(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.8464e-01 1.L137 CG = 26.782(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.9855e-01 1.L137 CD1 = 25.495(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.2596e-01 1.L137 CD2 = 23.560(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.7317e-01 1.L137 H = 9.998(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5282e-03 1.L137 HA = 4.748(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.6249e-01 1.L137 HB2 = 0.419(S), Expected = 1.61, Std = 0.3400, ChiSquare = 4.6015e-04 1.L137 HB3 = 1.695(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.2689e-01 1.L137 HG = 1.302(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.2850e-01 1.L137 HD11 = 0.233(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4830e-02 1.L137 HD12 = 0.233(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4830e-02 1.L137 HD13 = 0.233(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4830e-02 1.L137 HD21 = 0.497(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.2172e-01 1.L137 HD22 = 0.497(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.2172e-01 1.L137 HD23 = 0.497(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.2172e-01 1.L137 N = 127.764(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3006e-01 1.V138 CA = 61.167(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.4366e-01 1.V138 CB = 33.117(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.2883e-01 1.V138 CG1 = 21.710(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.7149e-01 1.V138 CG2 = 20.452(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.0449e-01 1.V138 H = 9.708(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.4309e-02 1.V138 HA = 4.760(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.2573e-01 1.V138 HB = 1.864(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.1698e-01 1.V138 HG11 = 0.826(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.8773e-01 1.V138 HG12 = 0.826(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.8773e-01 1.V138 HG13 = 0.826(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.8773e-01 1.V138 HG21 = 0.316(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.3886e-02 1.V138 HG22 = 0.316(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.3886e-02 1.V138 HG23 = 0.316(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.3886e-02 1.V138 N = 129.462(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6797e-02 1.M139 CA = 53.463(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.3523e-01 1.M139 CB = 36.995(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.3785e-02 1.M139 CG = 32.401(D), Expected = 32.01, Std = 1.2400, ChiSquare = 7.5252e-01 1.M139 H = 9.412(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.4858e-02 1.M139 HA = 5.206(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.7250e-02 1.M139 HB2 = 1.543(D), Expected = 2.03, Std = 0.3400, ChiSquare = 1.5204e-01 1.M139 HB3 = 2.045(D), Expected = 1.99, Std = 0.3400, ChiSquare = 8.7149e-01 1.M139 HG2 = 1.030(S), Expected = 2.42, Std = 0.3500, ChiSquare = 7.1443e-05 1.M139 HG3 = 1.647(D), Expected = 2.39, Std = 0.3800, ChiSquare = 5.0552e-02 1.M139 N = 130.006(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.4763e-03 1.K140 CA = 54.551(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.7551e-01 1.K140 CB = 35.742(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.7231e-02 1.K140 CG = 24.960(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.5061e-01 1.K140 CD = 29.679(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.0558e-01 1.K140 H = 9.484(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.1032e-02 1.K140 HA = 5.412(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4466e-03 1.K140 HB2 = 1.611(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.9904e-01 1.K140 HB3 = 1.697(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.7346e-01 1.K140 HG2 = 1.429(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.2048e-01 1.K140 HG3 = 1.207(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.0955e-01 1.K140 HD2 = 1.540(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.5035e-01 1.K140 HD3 = 1.540(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.8506e-01 1.K140 HE2 = 2.813(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.7333e-01 1.K140 HE3 = 2.813(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.2768e-01 1.K140 N = 128.818(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.9353e-02 1.M141 CA = 53.910(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.2386e-01 1.M141 CB = 35.607(D), Expected = 32.99, Std = 2.2400, ChiSquare = 2.4268e-01 1.M141 CG = 32.009(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.9936e-01 1.M141 H = 8.416(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.9486e-01 1.M141 HA = 5.108(D), Expected = 4.41, Std = 0.4800, ChiSquare = 1.4590e-01 1.M141 HB2 = 1.956(D), Expected = 2.03, Std = 0.3400, ChiSquare = 8.2770e-01 1.M141 HB3 = 0.947(D), Expected = 1.99, Std = 0.3400, ChiSquare = 2.1575e-03 1.M141 HG2 = 1.701(D), Expected = 2.42, Std = 0.3500, ChiSquare = 3.9948e-02 1.M141 HG3 = 1.854(D), Expected = 2.39, Std = 0.3800, ChiSquare = 1.5838e-01 1.M141 N = 124.549(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.1166e-01 1.S142 CA = 57.519(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.6178e-01 1.S142 CB = 65.706(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.9780e-01 1.S142 H = 10.160(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.4404e-03 1.S142 HA = 5.706(D), Expected = 4.48, Std = 0.4000, ChiSquare = 2.1767e-03 1.S142 HB2 = 3.651(D), Expected = 3.88, Std = 0.2500, ChiSquare = 3.5967e-01 1.S142 HB3 = 3.759(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.3609e-01 1.S142 N = 117.171(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0017e-01 1.W143 CA = 57.047(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.1219e-01 1.W143 CB = 33.561(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.7284e-02 1.W143 CD1 = 125.478(D), Expected = 126.51, Std = 1.8300, ChiSquare = 5.7280e-01 1.W143 CE3 = 120.906(D), Expected = 120.43, Std = 1.7900, ChiSquare = 7.9030e-01 1.W143 CZ2 = 114.821(D), Expected = 114.26, Std = 1.1200, ChiSquare = 6.1645e-01 1.W143 CZ3 = 122.793(D), Expected = 121.35, Std = 1.5300, ChiSquare = 3.4561e-01 1.W143 CH2 = 126.122(D), Expected = 123.86, Std = 1.4200, ChiSquare = 1.1117e-01 1.W143 H = 9.160(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.7078e-01 1.W143 HA = 4.953(D), Expected = 4.68, Std = 0.5300, ChiSquare = 6.0649e-01 1.W143 HB2 = 2.815(D), Expected = 3.19, Std = 0.3500, ChiSquare = 2.8398e-01 1.W143 HB3 = 3.378(D), Expected = 3.12, Std = 0.3600, ChiSquare = 4.7358e-01 1.W143 HD1 = 6.533(D), Expected = 7.14, Std = 0.3600, ChiSquare = 9.1774e-02 1.W143 HE1 = 10.069(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.8670e-01 1.W143 HE3 = 7.988(D), Expected = 7.31, Std = 0.4100, ChiSquare = 9.8197e-02 1.W143 HZ2 = 7.404(D), Expected = 7.28, Std = 0.3300, ChiSquare = 7.0710e-01 1.W143 HZ3 = 7.337(D), Expected = 6.86, Std = 0.4000, ChiSquare = 2.3307e-01 1.W143 HH2 = 7.216(D), Expected = 6.98, Std = 0.3900, ChiSquare = 5.4509e-01 1.W143 N = 126.683(D), Expected = 121.68, Std = 4.1800, ChiSquare = 2.3135e-01 1.W143 NE1 = 127.410(D), Expected = 129.32, Std = 2.1100, ChiSquare = 3.6535e-01 1.K144 CA = 57.040(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.6737e-01 1.K144 CB = 30.142(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.3685e-01 1.K144 CG = 25.010(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.1543e-01 1.K144 CD = 29.194(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.2847e-01 1.K144 CE = 42.376(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.5339e-01 1.K144 H = 8.487(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.2060e-01 1.K144 HA = 3.448(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.1737e-02 1.K144 HB2 = 1.822(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.6658e-01 1.K144 HB3 = 1.570(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.2894e-01 1.K144 HG2 = 0.612(D), Expected = 1.37, Std = 0.2600, ChiSquare = 3.5525e-03 1.K144 HG3 = 0.612(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.3960e-03 1.K144 HD2 = 1.493(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.9485e-01 1.K144 HD3 = 1.493(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.2671e-01 1.K144 HE2 = 2.750(D), Expected = 2.92, Std = 0.1900, ChiSquare = 3.7093e-01 1.K144 HE3 = 2.860(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.0259e-01 1.K144 N = 123.268(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.5631e-01 1.G145 CA = 45.235(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3161e-01 1.G145 H = 8.524(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.6535e-01 1.G145 HA2 = 3.479(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.8450e-01 1.G145 HA3 = 4.108(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.7401e-01 1.G145 N = 103.583(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.1575e-01 1.V146 CA = 62.617(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6458e-01 1.V146 CB = 32.562(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2522e-01 1.V146 CG1 = 21.357(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.2210e-01 1.V146 CG2 = 21.109(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.2289e-01 1.V146 H = 8.167(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.5434e-01 1.V146 HA = 4.171(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.7387e-01 1.V146 HB = 2.317(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.9228e-01 1.V146 HG11 = 0.912(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.5247e-01 1.V146 HG12 = 0.912(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.5247e-01 1.V146 HG13 = 0.912(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.5247e-01 1.V146 HG21 = 0.947(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.9958e-01 1.V146 HG22 = 0.947(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.9958e-01 1.V146 HG23 = 0.947(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.9958e-01 1.V146 N = 124.659(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.3827e-01 1.S147 CA = 56.753(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.4199e-01 1.S147 CB = 66.075(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.2425e-01 1.S147 H = 8.675(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.0318e-01 1.S147 HA = 5.884(S), Expected = 4.48, Std = 0.4000, ChiSquare = 4.4811e-04 1.S147 HB2 = 3.808(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.7335e-01 1.S147 HB3 = 3.756(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.2773e-01 1.S147 N = 120.741(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.0504e-01 1.T148 CA = 59.092(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.2715e-01 1.T148 CB = 70.552(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.1405e-01 1.T148 CG2 = 21.284(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.1061e-01 1.T148 H = 9.011(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.1367e-01 1.T148 HA = 5.083(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.9432e-01 1.T148 HB = 4.142(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.3238e-01 1.T148 HG1 = 4.387(D), Expected = 4.92, Std = 1.5800, ChiSquare = 7.3586e-01 1.T148 HG21 = 0.767(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.0486e-01 1.T148 HG22 = 0.767(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.0486e-01 1.T148 HG23 = 0.767(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.0486e-01 1.T148 N = 119.094(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.3924e-01 1.S149 CA = 57.353(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.0901e-01 1.S149 CB = 66.373(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.2120e-02 1.S149 H = 7.408(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.3942e-01 1.S149 HA = 5.556(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.1452e-03 1.S149 HB2 = 3.617(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.9280e-01 1.S149 HB3 = 3.149(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.4235e-03 1.S149 N = 120.250(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.5939e-01 1.R150 H = 9.268(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.1941e-02 1.R150 N = 122.251(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.9336e-01 1.Y151 CA = 58.357(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.2794e-01 1.Y151 CB = 39.512(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.2917e-01 1.Y151 CD1 = 132.721(D), Expected = 132.77, Std = 1.1700, ChiSquare = 9.6659e-01 1.Y151 CD2 = 132.721(D), Expected = 132.73, Std = 1.3000, ChiSquare = 9.9448e-01 1.Y151 CE1 = 118.135(D), Expected = 117.93, Std = 1.1900, ChiSquare = 8.6323e-01 1.Y151 CE2 = 118.135(D), Expected = 117.90, Std = 1.1800, ChiSquare = 8.4214e-01 1.Y151 HA = 4.756(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.2198e-01 1.Y151 HB2 = 2.799(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.6418e-01 1.Y151 HB3 = 2.498(D), Expected = 2.84, Std = 0.3900, ChiSquare = 3.8053e-01 1.Y151 HD1 = 6.522(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.7383e-01 1.Y151 HD2 = 6.522(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.7383e-01 1.Y151 HE1 = 6.466(D), Expected = 6.70, Std = 0.2300, ChiSquare = 3.0897e-01 1.Y151 HE2 = 6.466(D), Expected = 6.71, Std = 0.2300, ChiSquare = 2.8875e-01 1.Y152 CA = 55.666(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.2626e-01 1.Y152 CB = 40.420(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.1057e-01 1.Y152 CD1 = 133.121(D), Expected = 132.77, Std = 1.1700, ChiSquare = 7.6418e-01 1.Y152 CD2 = 133.121(D), Expected = 132.73, Std = 1.3000, ChiSquare = 7.6359e-01 1.Y152 CE1 = 118.712(D), Expected = 117.93, Std = 1.1900, ChiSquare = 5.1109e-01 1.Y152 CE2 = 118.712(D), Expected = 117.90, Std = 1.1800, ChiSquare = 4.9137e-01 1.Y152 H = 9.799(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.2762e-02 1.Y152 HA = 5.109(D), Expected = 4.63, Std = 0.5600, ChiSquare = 3.9235e-01 1.Y152 HB2 = 2.635(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.5733e-01 1.Y152 HB3 = 3.469(D), Expected = 2.84, Std = 0.3900, ChiSquare = 1.0678e-01 1.Y152 HD1 = 7.125(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.1569e-01 1.Y152 HD2 = 7.125(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.1569e-01 1.Y152 HE1 = 6.528(D), Expected = 6.70, Std = 0.2300, ChiSquare = 4.5457e-01 1.Y152 HE2 = 6.528(D), Expected = 6.71, Std = 0.2300, ChiSquare = 4.2877e-01 1.Y152 N = 124.226(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.7757e-01 1.K153 CA = 56.137(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.1172e-01 1.K153 CB = 34.302(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.9564e-01 1.K153 CG = 24.725(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.8391e-01 1.K153 CD = 28.346(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.6968e-01 1.K153 CE = 42.390(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.4202e-01 1.K153 H = 9.415(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.1185e-02 1.K153 HA = 4.115(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.2463e-01 1.K153 HB2 = 1.945(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.0925e-01 1.K153 HB3 = 1.709(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.0859e-01 1.K153 HG2 = 0.818(D), Expected = 1.37, Std = 0.2600, ChiSquare = 3.3747e-02 1.K153 HG3 = 1.509(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.7013e-01 1.K153 HD2 = 1.467(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.1569e-01 1.K153 HD3 = 1.545(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.0259e-01 1.K153 HE2 = 2.915(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.7901e-01 1.K153 HE3 = 2.915(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.8006e-01 1.K153 N = 129.051(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.3814e-02 1.K154 CA = 58.645(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.4103e-01 1.K154 CB = 32.991(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1009e-01 1.K154 CG = 25.003(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.2034e-01 1.K154 CD = 29.171(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.4510e-01 1.K154 CE = 42.774(D), Expected = 41.89, Std = 0.8200, ChiSquare = 2.8101e-01 1.K154 H = 9.175(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.0066e-01 1.K154 HA = 4.182(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.4148e-01 1.K154 HB2 = 1.588(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.4249e-01 1.K154 HB3 = 1.831(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.3609e-01 1.K154 HG2 = 0.759(D), Expected = 1.37, Std = 0.2600, ChiSquare = 1.8773e-02 1.K154 HE2 = 3.009(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.3948e-01 1.K154 HE3 = 2.959(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.0646e-01 1.K154 N = 133.301(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.1557e-03 1.Q155 CA = 55.932(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.6560e-01 1.Q155 CB = 31.148(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.8201e-01 1.Q155 CG = 34.969(D), Expected = 33.76, Std = 1.1100, ChiSquare = 2.7607e-01 1.Q155 H = 8.646(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.7027e-01 1.Q155 HA = 4.148(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.8157e-01 1.Q155 HB2 = 2.171(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.2839e-01 1.Q155 HB3 = 1.637(D), Expected = 2.02, Std = 0.2800, ChiSquare = 1.7136e-01 1.Q155 HG2 = 2.171(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.8105e-01 1.Q155 HG3 = 2.324(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.0667e-01 1.Q155 HE21 = 7.044(D), Expected = 7.24, Std = 0.4500, ChiSquare = 6.6316e-01 1.Q155 HE22 = 7.475(D), Expected = 7.02, Std = 0.4400, ChiSquare = 3.0109e-01 1.Q155 N = 132.205(S), Expected = 119.89, Std = 3.6000, ChiSquare = 6.2430e-04 1.Q155 NE2 = 115.543(D), Expected = 111.87, Std = 1.7200, ChiSquare = 3.2723e-02