Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> C :: 174.775(D) CA :: 61.115(D) CB :: 39.171(D) CG1 :: 27.173(D) CG2 :: 17.843(D) CD1 :: 13.154(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>> HA :: 4.277(D) HB :: 1.784(D) HG12 :: 1.471(D) HG13 :: 1.071(D) HG21 :: 0.775(D) HG22 :: 0.775(D) HG23 :: 0.775(D) HD11 :: 0.692(D) HD12 :: 0.692(D) HD13 :: 0.692(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) 1.E3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.65 M 0.28 I 0.02 Q 0.01 K 0.01 C Shift Assignments>> C :: 174.233(D) CA :: 56.258(D) CB :: 31.275(D) CG :: 37.060(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 :: 8.594(D) HA :: 4.468(D) HB2 :: 1.979(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 :: 127.799(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 175.600(D) CA :: 60.133(D) CB :: 39.715(D) CG1 :: 27.947(D) CG2 :: 18.912(D) CD1 :: 13.669(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 :: 8.287(D) HA :: 4.672(D) HB :: 1.673(D) HG12 :: 2.214(D) HG13 :: 1.939(D) HG21 :: 0.676(D) HG22 :: 0.676(D) HG23 :: 0.676(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 :: 125.464(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 176.297(D) CA :: 59.787(D) CB :: 39.366(D) CG1 :: 27.462(D) CG2 :: 17.624(D) CD1 :: 12.698(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 :: 9.240(D) HA :: 4.364(D) HB :: 1.803(D) HG12 :: 1.229(D) HG13 :: 1.390(D) HG21 :: 0.914(D) HG22 :: 0.914(D) HG23 :: 0.914(D) HD11 :: 0.780(D) HD12 :: 0.780(D) HD13 :: 0.780(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 :: 129.283(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.67 K 0.2 G 0.1 C Shift Assignments>> C :: 176.331(D) CA :: 57.073(D) CB :: 30.438(D) CG :: 28.511(D) CD :: 43.373(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 :: 8.959(D) HA :: 4.718(D) HB2 :: 1.890(D) HB3 :: 1.818(D) HG2 :: 1.612(D) HG3 :: 1.759(D) HD2 :: 3.242(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 :: 129.692(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.S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.I44 1.I44 C Shift Assignments>> C :: 174.672(D) CA :: 57.571(D) CB :: 64.722(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.808(D) HA :: 4.453(D) HB2 :: 3.996(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 :: 119.700(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> K 0.99 C Shift Assignments>> CA :: 56.156(D) CB :: 32.999(D) CG :: 24.802(D) CD :: 29.226(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>> HA :: 4.585(D) HB2 :: 1.949(D) HB3 :: 1.752(D) HG2 :: 1.476(D) HG3 :: 1.451(D) HD2 :: 1.700(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) 1.E9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.61 K 0.13 Q 0.09 M 0.08 I 0.07 C Shift Assignments>> C :: 175.384(D) CA :: 57.035(D) CB :: 29.809(D) CG :: 36.282(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 :: 8.481(D) HA :: 4.201(D) HB2 :: 1.851(D) HB3 :: 1.923(D) HG2 :: 2.227(D) HG3 :: 2.191(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 :: 120.386(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.51 Y 0.48 C Shift Assignments>> C :: 174.915(D) CA :: 57.166(D) CB :: 39.632(D) CD1 :: 131.740(D) CD2 :: 131.740(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 :: 7.867(D) HA :: 4.595(D) HB2 :: 2.952(D) HB3 :: 2.846(D) HD1 :: 7.009(D) HD2 :: 7.009(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 :: 119.985(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.038(D) CA :: 57.498(D) CB :: 64.261(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.108(D) HA :: 4.412(D) HB2 :: 3.831(D) HB3 :: 3.790(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 :: 117.339(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.88 R 0.09 A 0.01 G 0.01 C Shift Assignments>> C :: 176.773(D) CA :: 55.080(D) CB :: 42.118(D) CG :: 27.255(D) CD1 :: 25.406(D) CD2 :: 23.959(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 :: 8.479(D) HA :: 4.371(D) HB2 :: 1.541(D) HB3 :: 1.728(D) HG :: 1.527(D) HD11 :: 0.812(D) HD12 :: 0.812(D) HD13 :: 0.812(D) HD21 :: 0.708(D) HD22 :: 0.708(D) HD23 :: 0.708(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 :: 125.160(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.34 Q 0.26 K 0.19 H 0.08 R 0.07 E 0.01 C Shift Assignments>> C :: 174.337(D) CA :: 53.762(D) CB :: 33.628(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 :: 8.363(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 :: 123.558(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.193(D) CA :: 62.061(D) CB :: 31.886(D) CG :: 27.946(D) CD :: 50.793(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 :: 5.322(D) HB2 :: 1.807(D) HB3 :: 2.055(D) HG2 :: 1.504(D) HG3 :: 0.739(S) HD2 :: 3.945(D) HD3 :: 3.645(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.M15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.56 M 0.37 Q 0.03 K 0.01 C Shift Assignments>> C :: 174.617(D) CA :: 55.459(D) CB :: 36.627(D) CG :: 31.545(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 :: 9.294(D) HA :: 4.780(D) HB2 :: 1.931(D) HB3 :: 2.336(D) HG2 :: 2.487(D) HG3 :: 2.417(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 :: 120.434(D) Ave N Shift Values>> N :: 120.09(3.57) 1.D16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 D 0.27 R 0.16 K 0.07 G 0.04 N 0.04 F 0.04 Y 0.02 C Shift Assignments>> C :: 177.235(D) CA :: 52.642(D) CB :: 42.749(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 :: 8.577(D) HA :: 5.305(D) HB2 :: 3.052(D) HB3 :: 2.741(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.785(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.471(D) CA :: 62.277(D) CB :: 63.009(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.020(D) HA :: 3.721(D) HB2 :: 3.753(D) HB3 :: 4.011(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 :: 115.543(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.65 E 0.3 K 0.02 C Shift Assignments>> C :: 178.452(D) CA :: 60.458(D) CB :: 29.145(D) CG :: 37.251(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 :: 8.027(D) HA :: 3.671(D) HB2 :: 1.960(D) HB3 :: 1.718(D) HG2 :: 2.095(D) HG3 :: 2.164(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 :: 121.059(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.62 I 0.22 K 0.07 M 0.04 Q 0.03 C Shift Assignments>> C :: 178.536(D) CA :: 58.846(D) CB :: 29.821(D) CG :: 36.666(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 :: 7.656(D) HA :: 3.788(D) HB2 :: 2.192(D) HB3 :: 1.930(D) HG2 :: 2.236(D) HG3 :: 2.398(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 :: 120.158(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> M 0.55 A 0.41 I 0.03 C Shift Assignments>> C :: 178.620(D) CA :: 54.926(D) CB :: 17.940(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.769(D) HA :: 3.438(D) HB1 :: 0.329(S) HB2 :: 0.329(S) HB3 :: 0.329(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.104(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.295(D) CA :: 66.880(D) CB :: 31.259(D) CG1 :: 23.371(D) CG2 :: 20.441(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 :: 7.525(D) HA :: 2.986(D) HB :: 2.557(D) HG11 :: 0.481(D) HG12 :: 0.481(D) HG13 :: 0.481(D) HG21 :: -0.070(D) HG22 :: -0.070(D) HG23 :: -0.070(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 :: 117.985(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.99 C Shift Assignments>> C :: 180.244(D) CA :: 58.532(D) CB :: 40.954(D) CG :: 26.733(D) CD1 :: 24.824(D) CD2 :: 23.717(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 :: 7.393(D) HA :: 3.825(D) HB2 :: 1.693(D) HB3 :: 1.513(D) HG :: 1.627(D) HD11 :: 0.808(D) HD12 :: 0.808(D) HD13 :: 0.808(D) HD21 :: 0.793(D) HD22 :: 0.793(D) HD23 :: 0.793(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 :: 119.268(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.38 K 0.27 R 0.25 E 0.03 I 0.02 M 0.02 C Shift Assignments>> C :: 177.487(D) CA :: 58.282(D) CB :: 27.422(D) CG :: 33.456(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 :: 7.876(D) HA :: 3.672(D) HB2 :: 1.838(D) HG2 :: 1.910(D) HG3 :: 2.181(D) HE21 :: 7.152(D) HE22 :: 6.700(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.619(D) NE2 :: 111.365(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 Q 0.29 E 0.1 K 0.04 C Shift Assignments>> C :: 178.220(D) CA :: 59.900(D) CB :: 33.622(D) CG :: 31.789(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 :: 8.057(D) HA :: 3.381(D) HB2 :: 1.834(D) HB3 :: 1.715(D) HG2 :: 2.349(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 :: 120.093(D) Ave N Shift Values>> N :: 120.09(3.57) 1.N25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.27 Y 0.21 F 0.16 E 0.14 D 0.07 M 0.05 I 0.03 L 0.02 C Shift Assignments>> C :: 178.550(D) CA :: 55.347(D) CB :: 37.656(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 :: 8.136(D) HA :: 4.518(D) HB2 :: 2.731(D) HB3 :: 2.793(D) HD21 :: 7.321(D) HD22 :: 6.604(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.567(D) ND2 :: 108.862(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.95 R 0.03 G 0.01 C Shift Assignments>> C :: 179.474(D) CA :: 58.025(D) CB :: 42.082(D) CG :: 26.796(D) CD1 :: 23.681(D) CD2 :: 24.645(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 :: 8.136(D) HA :: 4.034(D) HB2 :: 1.543(D) HB3 :: 1.725(D) HG :: 1.607(D) HD11 :: 0.778(D) HD12 :: 0.778(D) HD13 :: 0.778(D) HD21 :: 0.788(D) HD22 :: 0.788(D) HD23 :: 0.788(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 :: 123.729(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.67 R 0.15 A 0.13 G 0.03 C Shift Assignments>> C :: 177.745(D) CA :: 55.415(D) CB :: 42.378(D) CG :: 26.713(D) CD1 :: 22.157(D) CD2 :: 25.902(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 :: 7.694(D) HA :: 4.042(D) HB2 :: 1.355(D) HG :: 1.616(D) HD11 :: 0.799(D) HD12 :: 0.799(D) HD13 :: 0.799(D) HD21 :: 0.831(D) HD22 :: 0.831(D) HD23 :: 0.831(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 :: 116.614(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 175.248(D) CA :: 46.039(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.696(D) HA2 :: 4.032(D) HA3 :: 3.853(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.110(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.77 Y 0.22 C Shift Assignments>> C :: 174.653(D) CA :: 54.085(D) CB :: 34.286(D) CD2 :: 118.293(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 :: 7.579(D) HA :: 4.999(D) HB2 :: 2.815(D) HB3 :: 3.365(D) HD2 :: 6.710(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.034(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 R 0.19 D 0.17 K 0.16 F 0.08 Y 0.05 N 0.01 G 0.01 HN Overlap>> 1.E38 1.E38 C Shift Assignments>> C :: 175.033(D) CA :: 55.343(D) CB :: 42.549(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 :: 9.066(D) HA :: 4.986(D) HB2 :: 3.251(D) HB3 :: 2.898(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 :: 117.504(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.59 Y 0.4 C Shift Assignments>> C :: 173.743(D) CA :: 56.650(D) CB :: 41.200(D) CD1 :: 131.525(D) CD2 :: 131.525(D) CE1 :: 130.624(D) CE2 :: 130.624(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 :: 7.325(D) HA :: 5.547(D) HB2 :: 2.690(D) HB3 :: 2.459(D) HD1 :: 6.644(D) HD2 :: 6.644(D) HE1 :: 6.849(D) HE2 :: 6.849(D) HZ :: 6.413(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 :: 114.513(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.35 G 0.22 L 0.14 F 0.13 Y 0.08 K 0.02 I 0.02 D 0.01 C Shift Assignments>> C :: 172.743(D) CA :: 59.226(D) CB :: 43.854(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 :: 9.153(D) HA :: 4.351(D) HB2 :: 2.766(D) HB3 :: 2.656(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 :: 121.294(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 173.588(D) CA :: 60.832(D) CB :: 32.732(D) CG1 :: 21.563(D) CG2 :: 21.603(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 :: 7.189(D) HA :: 4.905(D) HB :: 1.546(D) HG11 :: 1.198(D) HG12 :: 1.198(D) HG13 :: 1.198(D) HG21 :: 0.936(D) HG22 :: 0.936(D) HG23 :: 0.936(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 :: 128.250(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.91 F 0.08 C Shift Assignments>> C :: 172.538(D) CA :: 55.723(D) CB :: 41.114(D) CD1 :: 133.964(D) CD2 :: 133.964(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 :: 8.992(D) HA :: 5.006(D) HB2 :: 3.242(D) HD1 :: 7.168(D) HD2 :: 7.168(D) HE1 :: 6.953(D) HE2 :: 6.953(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 :: 122.717(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.724(D) CA :: 62.256(D) CB :: 69.079(D) CG2 :: 21.656(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 :: 8.362(D) HA :: 4.317(D) HB :: 3.536(D) HG21 :: 0.977(D) HG22 :: 0.977(D) HG23 :: 0.977(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 :: 118.938(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 D 0.25 R 0.15 K 0.12 F 0.05 N 0.03 Y 0.03 G 0.01 C Shift Assignments>> C :: 178.289(D) CA :: 53.786(D) CB :: 42.509(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 :: 8.637(D) HA :: 5.091(D) HB2 :: 2.192(D) HB3 :: 3.191(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 :: 129.593(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.76 G 0.15 K 0.08 C Shift Assignments>> C :: 177.533(D) CA :: 58.513(D) CB :: 30.760(D) CG :: 27.563(D) CD :: 43.593(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 :: 8.493(D) HA :: 4.118(D) HB2 :: 1.752(D) HB3 :: 1.685(D) HG2 :: 1.600(D) HD2 :: 3.202(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 :: 127.582(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.E38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.67 I 0.17 M 0.1 K 0.02 Q 0.01 HN Overlap>> 1.D30 1.D30 C Shift Assignments>> C :: 177.933(D) CA :: 58.778(D) CB :: 30.672(D) CG :: 37.113(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 :: 9.056(D) HA :: 4.207(D) HB2 :: 2.171(D) HB3 :: 2.129(D) HG2 :: 2.398(D) HG3 :: 2.226(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 :: 117.478(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.725(D) CA :: 61.318(D) CB :: 71.169(D) CG2 :: 21.777(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 :: 7.285(D) HA :: 4.376(D) HB :: 4.255(D) HG21 :: 0.693(D) HG22 :: 0.693(D) HG23 :: 0.693(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 :: 105.437(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.21 D 0.19 L 0.17 K 0.07 N 0.04 I 0.03 C Shift Assignments>> C :: 174.913(D) CA :: 56.524(D) CB :: 40.500(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 :: 8.669(D) HA :: 4.275(D) HB2 :: 2.985(D) HB3 :: 2.777(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.389(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.34 L 0.3 R 0.23 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 173.204(D) CA :: 44.149(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.045(D) HA2 :: 4.481(D) HA3 :: 3.633(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.203(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.798(D) CA :: 64.166(D) CB :: 68.418(D) CG2 :: 22.508(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 :: 8.305(D) HA :: 4.364(D) HB :: 3.735(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 :: 118.803(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.65 S 0.34 C Shift Assignments>> C :: 170.435(D) CA :: 56.822(D) CB :: 67.572(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.087(D) HA :: 5.266(D) HB2 :: 3.387(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 :: 127.065(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.51 G 0.47 HN Overlap>> 1.S7 1.S7 C Shift Assignments>> C :: 176.881(D) CA :: 60.388(D) CB :: 43.032(D) CG1 :: 29.328(D) CG2 :: 18.965(D) CD1 :: 16.062(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 :: 8.814(D) HA :: 5.260(D) HB :: 1.617(D) HG12 :: 0.863(D) HG13 :: 1.412(D) HG21 :: 0.595(D) HG22 :: 0.595(D) HG23 :: 0.595(D) HD11 :: 0.551(D) HD12 :: 0.551(D) HD13 :: 0.551(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.726(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.94 A 0.05 C Shift Assignments>> C :: 175.163(D) CA :: 58.695(D) CB :: 35.578(D) CG1 :: 20.544(D) CG2 :: 22.405(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 :: 8.932(D) HA :: 6.037(D) HB :: 2.053(D) HG11 :: 1.016(D) HG12 :: 1.016(D) HG13 :: 1.016(D) HG21 :: 1.157(D) HG22 :: 1.157(D) HG23 :: 1.157(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 :: 120.771(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 173.614(D) CA :: 56.412(D) CB :: 41.313(D) CD1 :: 134.262(D) CD2 :: 134.262(D) CE1 :: 117.963(D) CE2 :: 117.963(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 :: 8.593(D) HA :: 5.442(D) HB2 :: 2.883(D) HB3 :: 3.321(D) HD1 :: 6.907(D) HD2 :: 6.907(D) HE1 :: 6.778(D) HE2 :: 6.778(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 :: 116.142(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.68 K 0.26 G 0.04 C Shift Assignments>> C :: 176.192(D) CA :: 56.638(D) CB :: 31.394(D) CG :: 27.406(D) CD :: 42.898(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 :: 8.616(D) HA :: 4.338(D) HB2 :: 1.837(D) HG2 :: 1.711(D) HD2 :: 3.440(D) HD3 :: 3.262(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 :: 122.013(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.R48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 Q 0.25 K 0.23 R 0.08 H 0.08 E 0.03 V 0.01 C Shift Assignments>> C :: 178.734(D) CA :: 55.687(D) CB :: 33.403(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.224(D) HA :: 3.985(D) HB2 :: 1.812(D) HB3 :: 1.743(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 :: 125.336(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.K49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> K 0.69 R 0.28 G 0.01 C Shift Assignments>> CA :: 58.471(D) CB :: 32.002(D) CG :: 25.260(D) CD :: 28.933(D) CE :: 42.313(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>> HA :: 4.188(D) HB2 :: 1.975(D) HB3 :: 1.936(D) HG2 :: 1.647(D) HG3 :: 1.593(D) HD2 :: 1.768(D) HE2 :: 3.002(D) HE3 :: 3.076(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) 1.D50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.32 L 0.11 F 0.07 Y 0.06 C Shift Assignments>> C :: 176.949(D) CA :: 53.025(D) CB :: 39.891(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 :: 7.749(D) HA :: 4.524(D) HB2 :: 2.590(D) HB3 :: 3.096(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 :: 115.174(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G51 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 :: 174.384(D) CA :: 45.456(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.769(D) HA2 :: 4.186(D) HA3 :: 3.565(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.464(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.51 R 0.46 G 0.01 C Shift Assignments>> C :: 173.841(D) CA :: 55.186(D) CB :: 33.290(D) CG :: 26.213(D) CD :: 29.470(D) CE :: 42.397(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 :: 7.244(D) HA :: 4.394(D) HB2 :: 1.654(D) HB3 :: 1.810(D) HG2 :: 1.222(D) HG3 :: 1.262(D) HD2 :: 1.502(D) HD3 :: 1.834(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 :: 118.711(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 175.017(D) CA :: 57.223(D) CB :: 40.199(D) CD1 :: 132.915(D) CD2 :: 132.915(D) CE1 :: 118.361(D) CE2 :: 118.361(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 :: 8.315(D) HA :: 5.118(D) HB2 :: 2.683(D) HB3 :: 2.758(D) HD1 :: 6.901(D) HD2 :: 6.901(D) HE1 :: 6.759(D) HE2 :: 6.759(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 :: 117.589(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> R 0.42 L 0.29 G 0.06 D 0.06 F 0.05 K 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.727(D) CA :: 43.336(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.713(D) HA2 :: 4.972(D) HA3 :: 2.633(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.659(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.21 A 0.05 C Shift Assignments>> C :: 175.137(D) CA :: 53.666(D) CB :: 46.895(D) CG :: 28.463(D) CD1 :: 26.320(D) CD2 :: 24.194(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 :: 7.723(D) HA :: 5.505(D) HB2 :: 1.512(D) HB3 :: 1.319(D) HG :: 1.378(D) HD11 :: 0.920(D) HD12 :: 0.920(D) HD13 :: 0.920(D) HD21 :: 1.054(D) HD22 :: 1.054(D) HD23 :: 1.054(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 :: 120.282(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 175.012(D) CA :: 60.434(D) CB :: 40.879(D) CG1 :: 27.786(D) CG2 :: 17.009(D) CD1 :: 14.622(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 :: 9.604(D) HA :: 4.477(D) HB :: 1.760(D) HG12 :: 1.748(D) HG13 :: 1.086(D) HG21 :: 0.611(D) HG22 :: 0.611(D) HG23 :: 0.611(D) HD11 :: 0.704(D) HD12 :: 0.704(D) HD13 :: 0.704(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 :: 128.516(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.37 M 0.36 K 0.13 E 0.12 C Shift Assignments>> C :: 176.078(D) CA :: 54.610(D) CB :: 30.732(D) CG :: 34.158(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 :: 8.736(D) HA :: 4.982(D) HG2 :: 2.150(D) HG3 :: 2.379(D) HE21 :: 8.245(D) HE22 :: 7.016(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 :: 126.194(D) NE2 :: 114.931(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.270(D) CA :: 62.416(D) CB :: 69.588(D) CG2 :: 21.286(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 :: 7.869(D) HA :: 4.420(D) HB :: 4.198(D) HG21 :: 0.935(D) HG22 :: 0.935(D) HG23 :: 0.935(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 :: 113.729(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.144(D) CA :: 58.014(D) CB :: 64.313(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.131(D) HA :: 4.526(D) HB2 :: 3.825(D) HB3 :: 3.787(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 :: 115.602(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.63 M 0.18 Q 0.07 K 0.07 I 0.03 C Shift Assignments>> C :: 176.298(D) CA :: 56.539(D) CB :: 30.495(D) CG :: 36.360(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 :: 8.361(D) HA :: 4.319(D) HB2 :: 2.005(D) HB3 :: 1.897(D) HG2 :: 2.235(D) HG3 :: 2.124(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.199(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.41 K 0.35 M 0.1 E 0.09 R 0.03 C Shift Assignments>> C :: 175.716(D) CA :: 55.972(D) CB :: 29.521(D) CG :: 33.753(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.302(D) HA :: 4.234(D) HB2 :: 1.937(D) HG2 :: 2.224(D) HE21 :: 7.417(D) HE22 :: 6.785(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.668(D) NE2 :: 111.670(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 1 #Clerical: 57 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 60 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 61 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 258 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 375 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 60 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I2 C = 174.775(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.7555e-01 1.I2 CA = 61.115(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.5346e-01 1.I2 CB = 39.171(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.8884e-01 1.I2 CG1 = 27.173(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.4924e-01 1.I2 CG2 = 17.843(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.1798e-01 1.I2 CD1 = 13.154(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.6873e-01 1.I2 HA = 4.277(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.6248e-01 1.I2 HB = 1.784(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.8900e-01 1.I2 HG12 = 1.471(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.3301e-01 1.I2 HG13 = 1.071(D), Expected = 1.19, Std = 0.4100, ChiSquare = 7.7163e-01 1.I2 HG21 = 0.775(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.8523e-01 1.I2 HG22 = 0.775(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.8523e-01 1.I2 HG23 = 0.775(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.8523e-01 1.I2 HD11 = 0.692(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.6699e-01 1.I2 HD12 = 0.692(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.6699e-01 1.I2 HD13 = 0.692(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.6699e-01 1.E3 C = 174.233(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.7628e-01 1.E3 CA = 56.258(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.1136e-01 1.E3 CB = 31.275(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.6206e-01 1.E3 CG = 37.060(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.2469e-01 1.E3 H = 8.594(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5454e-01 1.E3 HA = 4.468(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.9493e-01 1.E3 HB2 = 1.979(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.4521e-01 1.E3 N = 127.799(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0505e-02 1.I4 C = 175.600(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.9640e-01 1.I4 CA = 60.133(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.8155e-01 1.I4 CB = 39.715(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.9118e-01 1.I4 CG1 = 27.947(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.8781e-01 1.I4 CG2 = 18.912(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.0955e-01 1.I4 CD1 = 13.669(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.8620e-01 1.I4 H = 8.287(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.9179e-01 1.I4 HA = 4.672(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.7963e-01 1.I4 HB = 1.673(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.1215e-01 1.I4 HG12 = 2.214(D), Expected = 1.28, Std = 0.4000, ChiSquare = 1.9543e-02 1.I4 HG13 = 1.939(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.7726e-02 1.I4 HG21 = 0.676(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2773e-01 1.I4 HG22 = 0.676(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2773e-01 1.I4 HG23 = 0.676(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2773e-01 1.I4 N = 125.464(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.4952e-01 1.I5 C = 176.297(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.1591e-01 1.I5 CA = 59.787(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.9636e-01 1.I5 CB = 39.366(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.1559e-01 1.I5 CG1 = 27.462(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.8264e-01 1.I5 CG2 = 17.624(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.4490e-01 1.I5 CD1 = 12.698(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.6115e-01 1.I5 H = 9.240(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.5802e-01 1.I5 HA = 4.364(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.4248e-01 1.I5 HB = 1.803(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.3679e-01 1.I5 HG12 = 1.229(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.9854e-01 1.I5 HG13 = 1.390(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.2569e-01 1.I5 HG21 = 0.914(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9380e-01 1.I5 HG22 = 0.914(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9380e-01 1.I5 HG23 = 0.914(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9380e-01 1.I5 HD11 = 0.780(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.3022e-01 1.I5 HD12 = 0.780(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.3022e-01 1.I5 HD13 = 0.780(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.3022e-01 1.I5 N = 129.283(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7579e-02 1.R6 C = 176.331(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.6896e-01 1.R6 CA = 57.073(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.9564e-01 1.R6 CB = 30.438(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.8616e-01 1.R6 CG = 28.511(D), Expected = 27.21, Std = 1.2000, ChiSquare = 2.7829e-01 1.R6 CD = 43.373(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.0874e-01 1.R6 H = 8.959(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.3852e-01 1.R6 HA = 4.718(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.6351e-01 1.R6 HB2 = 1.890(D), Expected = 1.79, Std = 0.2700, ChiSquare = 7.1111e-01 1.R6 HB3 = 1.818(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.3590e-01 1.R6 HG2 = 1.612(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.7638e-01 1.R6 HG3 = 1.759(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.5015e-01 1.R6 HD2 = 3.242(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.1122e-01 1.R6 N = 129.692(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.5679e-02 1.S7 C = 174.672(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.7588e-01 1.S7 CA = 57.571(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.7885e-01 1.S7 CB = 64.722(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.3330e-01 1.S7 H = 8.808(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.7083e-01 1.S7 HA = 4.453(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.4618e-01 1.S7 HB2 = 3.996(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.4265e-01 1.S7 N = 119.700(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.3125e-01 1.K8 CA = 56.156(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.1817e-01 1.K8 CB = 32.999(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.0653e-01 1.K8 CG = 24.802(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.3793e-01 1.K8 CD = 29.226(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.0545e-01 1.K8 HA = 4.585(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7405e-01 1.K8 HB2 = 1.949(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.9904e-01 1.K8 HB3 = 1.752(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.6455e-01 1.K8 HG2 = 1.476(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.8350e-01 1.K8 HG3 = 1.451(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.1831e-01 1.K8 HD2 = 1.700(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.8247e-01 1.E9 C = 175.384(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.4603e-01 1.E9 CA = 57.035(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.9153e-01 1.E9 CB = 29.809(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.0697e-01 1.E9 CG = 36.282(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.8508e-01 1.E9 H = 8.481(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.9800e-01 1.E9 HA = 4.201(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.0487e-01 1.E9 HB2 = 1.851(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.2096e-01 1.E9 HB3 = 1.923(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.7082e-01 1.E9 HG2 = 2.227(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.3776e-01 1.E9 HG3 = 2.191(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.8856e-01 1.E9 N = 120.386(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.3496e-01 1.F10 C = 174.915(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.9967e-01 1.F10 CA = 57.166(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.2211e-01 1.F10 CB = 39.632(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.6399e-01 1.F10 CD1 = 131.740(D), Expected = 131.58, Std = 1.1800, ChiSquare = 8.9214e-01 1.F10 CD2 = 131.740(D), Expected = 131.63, Std = 1.1200, ChiSquare = 9.2176e-01 1.F10 H = 7.867(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.9352e-01 1.F10 HA = 4.595(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.5104e-01 1.F10 HB2 = 2.952(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.9678e-01 1.F10 HB3 = 2.846(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.3367e-01 1.F10 HD1 = 7.009(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.6932e-01 1.F10 HD2 = 7.009(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.6932e-01 1.F10 N = 119.985(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.1142e-01 1.S11 C = 174.038(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.3508e-01 1.S11 CA = 57.498(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.5496e-01 1.S11 CB = 64.261(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.5543e-01 1.S11 H = 8.108(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.7065e-01 1.S11 HA = 4.412(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.6501e-01 1.S11 HB2 = 3.831(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.4461e-01 1.S11 HB3 = 3.790(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.2414e-01 1.S11 N = 117.339(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.6353e-01 1.L12 C = 176.773(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.1273e-01 1.L12 CA = 55.080(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9987e-01 1.L12 CB = 42.118(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1866e-01 1.L12 CG = 27.255(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.6587e-01 1.L12 CD1 = 25.406(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.6614e-01 1.L12 CD2 = 23.959(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.5731e-01 1.L12 H = 8.479(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0166e-01 1.L12 HA = 4.371(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.1359e-01 1.L12 HB2 = 1.541(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.3918e-01 1.L12 HB3 = 1.728(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.6341e-01 1.L12 HG = 1.527(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.5892e-01 1.L12 HD11 = 0.812(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.2476e-01 1.L12 HD12 = 0.812(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.2476e-01 1.L12 HD13 = 0.812(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.2476e-01 1.L12 HD21 = 0.708(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.3953e-01 1.L12 HD22 = 0.708(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.3953e-01 1.L12 HD23 = 0.708(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.3953e-01 1.L12 N = 125.160(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9747e-01 1.K13 C = 174.337(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.4953e-01 1.K13 CA = 53.762(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4731e-01 1.K13 CB = 33.628(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.3779e-01 1.K13 H = 8.363(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.7309e-01 1.K13 N = 123.558(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.0589e-01 1.P14 C = 177.193(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.6923e-01 1.P14 CA = 62.061(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.0379e-01 1.P14 CB = 31.886(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.7566e-01 1.P14 CG = 27.946(D), Expected = 27.17, Std = 1.0900, ChiSquare = 4.7651e-01 1.P14 CD = 50.793(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.3281e-01 1.P14 HA = 5.322(D), Expected = 4.40, Std = 0.3300, ChiSquare = 5.2070e-03 1.P14 HB2 = 1.807(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.3539e-01 1.P14 HB3 = 2.055(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.7857e-01 1.P14 HG2 = 1.504(D), Expected = 1.93, Std = 0.3100, ChiSquare = 1.6938e-01 1.P14 HG3 = 0.739(S), Expected = 1.90, Std = 0.3300, ChiSquare = 4.3451e-04 1.P14 HD2 = 3.945(D), Expected = 3.65, Std = 0.3500, ChiSquare = 3.9931e-01 1.P14 HD3 = 3.645(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.2849e-01 1.M15 C = 174.617(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.5455e-01 1.M15 CA = 55.459(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.7034e-01 1.M15 CB = 36.627(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.0445e-01 1.M15 CG = 31.545(D), Expected = 32.01, Std = 1.2400, ChiSquare = 7.0766e-01 1.M15 H = 9.294(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.4828e-02 1.M15 HA = 4.780(D), Expected = 4.41, Std = 0.4800, ChiSquare = 4.4081e-01 1.M15 HB2 = 1.931(D), Expected = 2.03, Std = 0.3400, ChiSquare = 7.7092e-01 1.M15 HB3 = 2.336(D), Expected = 1.99, Std = 0.3400, ChiSquare = 3.0885e-01 1.M15 HG2 = 2.487(D), Expected = 2.42, Std = 0.3500, ChiSquare = 8.4819e-01 1.M15 HG3 = 2.417(D), Expected = 2.39, Std = 0.3800, ChiSquare = 9.4336e-01 1.M15 N = 120.434(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.2324e-01 1.D16 C = 177.235(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.3326e-01 1.D16 CA = 52.642(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.1304e-01 1.D16 CB = 42.749(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.4862e-01 1.D16 H = 8.577(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.4527e-01 1.D16 HA = 5.305(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.5458e-02 1.D16 HB2 = 3.052(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.0163e-01 1.D16 HB3 = 2.741(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.7236e-01 1.D16 N = 119.785(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.2268e-01 1.S17 C = 175.471(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.2076e-01 1.S17 CA = 62.277(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.5731e-02 1.S17 CB = 63.009(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.9302e-01 1.S17 H = 9.020(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.0976e-01 1.S17 HA = 3.721(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.7762e-02 1.S17 HB2 = 3.753(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.1145e-01 1.S17 HB3 = 4.011(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.5098e-01 1.S17 N = 115.543(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.3416e-01 1.E18 C = 178.452(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.1720e-01 1.E18 CA = 60.458(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.3324e-01 1.E18 CB = 29.145(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.1503e-01 1.E18 CG = 37.251(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.3765e-01 1.E18 H = 8.027(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.0756e-01 1.E18 HA = 3.671(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.5789e-01 1.E18 HB2 = 1.960(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.7510e-01 1.E18 HB3 = 1.718(D), Expected = 1.99, Std = 0.2300, ChiSquare = 2.3696e-01 1.E18 HG2 = 2.095(D), Expected = 2.27, Std = 0.2100, ChiSquare = 4.0466e-01 1.E18 HG3 = 2.164(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.9586e-01 1.E18 N = 121.059(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1100e-01 1.E19 C = 178.536(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.9291e-01 1.E19 CA = 58.846(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.6530e-01 1.E19 CB = 29.821(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1250e-01 1.E19 CG = 36.666(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.4034e-01 1.E19 H = 7.656(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.5330e-01 1.E19 HA = 3.788(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.5981e-01 1.E19 HB2 = 2.192(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.1276e-01 1.E19 HB3 = 1.930(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.9419e-01 1.E19 HG2 = 2.236(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.7138e-01 1.E19 HG3 = 2.398(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.0112e-01 1.E19 N = 120.158(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.8303e-01 1.A20 C = 178.620(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.7950e-01 1.A20 CA = 54.926(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.6705e-01 1.A20 CB = 17.940(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.5875e-01 1.A20 H = 7.769(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.7255e-01 1.A20 HA = 3.438(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.1737e-02 1.A20 HB1 = 0.329(S), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6039e-05 1.A20 HB2 = 0.329(S), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6039e-05 1.A20 HB3 = 0.329(S), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6039e-05 1.A20 N = 122.104(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.5042e-01 1.V21 C = 177.295(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.7800e-01 1.V21 CA = 66.880(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2479e-01 1.V21 CB = 31.259(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.1120e-01 1.V21 CG1 = 23.371(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.6664e-01 1.V21 CG2 = 20.441(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.9958e-01 1.V21 H = 7.525(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.5354e-01 1.V21 HA = 2.986(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.7907e-02 1.V21 HB = 2.557(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.1369e-02 1.V21 HG11 = 0.481(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.7950e-01 1.V21 HG12 = 0.481(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.7950e-01 1.V21 HG13 = 0.481(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.7950e-01 1.V21 HG21 = -0.070(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.8891e-03 1.V21 HG22 = -0.070(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.8891e-03 1.V21 HG23 = -0.070(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.8891e-03 1.V21 N = 117.985(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.8710e-01 1.L22 C = 180.244(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.0029e-01 1.L22 CA = 58.532(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7158e-01 1.L22 CB = 40.954(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.7074e-01 1.L22 CG = 26.733(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.6592e-01 1.L22 CD1 = 24.824(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.4785e-01 1.L22 CD2 = 23.717(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.4470e-01 1.L22 H = 7.393(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.9785e-01 1.L22 HA = 3.825(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.9225e-01 1.L22 HB2 = 1.693(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.0714e-01 1.L22 HB3 = 1.513(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.8449e-01 1.L22 HG = 1.627(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.2293e-01 1.L22 HD11 = 0.808(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.3590e-01 1.L22 HD12 = 0.808(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.3590e-01 1.L22 HD13 = 0.808(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.3590e-01 1.L22 HD21 = 0.793(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.2802e-01 1.L22 HD22 = 0.793(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.2802e-01 1.L22 HD23 = 0.793(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.2802e-01 1.L22 N = 119.268(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0630e-01 1.Q23 C = 177.487(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.4612e-01 1.Q23 CA = 58.282(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.2371e-01 1.Q23 CB = 27.422(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.3134e-01 1.Q23 CG = 33.456(D), Expected = 33.76, Std = 1.1100, ChiSquare = 7.8418e-01 1.Q23 H = 7.876(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.5986e-01 1.Q23 HA = 3.672(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.7412e-01 1.Q23 HB2 = 1.838(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.9644e-01 1.Q23 HG2 = 1.910(D), Expected = 2.32, Std = 0.2700, ChiSquare = 1.2888e-01 1.Q23 HG3 = 2.181(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.0702e-01 1.Q23 HE21 = 7.152(D), Expected = 7.24, Std = 0.4500, ChiSquare = 8.4496e-01 1.Q23 HE22 = 6.700(D), Expected = 7.02, Std = 0.4400, ChiSquare = 4.6706e-01 1.Q23 N = 118.619(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.2405e-01 1.Q23 NE2 = 111.365(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.6906e-01 1.M24 C = 178.220(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.2903e-01 1.M24 CA = 59.900(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.9215e-02 1.M24 CB = 33.622(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.7783e-01 1.M24 CG = 31.789(D), Expected = 32.01, Std = 1.2400, ChiSquare = 8.5855e-01 1.M24 H = 8.057(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.3511e-01 1.M24 HA = 3.381(D), Expected = 4.41, Std = 0.4800, ChiSquare = 3.2053e-02 1.M24 HB2 = 1.834(D), Expected = 2.03, Std = 0.3400, ChiSquare = 5.6430e-01 1.M24 HB3 = 1.715(D), Expected = 1.99, Std = 0.3400, ChiSquare = 4.1862e-01 1.M24 HG2 = 2.349(D), Expected = 2.42, Std = 0.3500, ChiSquare = 8.3925e-01 1.M24 N = 120.093(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.9933e-01 1.N25 C = 178.550(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.6892e-02 1.N25 CA = 55.347(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.3647e-01 1.N25 CB = 37.656(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.4065e-01 1.N25 H = 8.136(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.4608e-01 1.N25 HA = 4.518(D), Expected = 4.67, Std = 0.3600, ChiSquare = 6.7286e-01 1.N25 HB2 = 2.731(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.9885e-01 1.N25 HB3 = 2.793(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.9633e-01 1.N25 HD21 = 7.321(D), Expected = 7.35, Std = 0.4800, ChiSquare = 9.5182e-01 1.N25 HD22 = 6.604(D), Expected = 7.14, Std = 0.4900, ChiSquare = 2.7401e-01 1.N25 N = 116.567(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.5764e-01 1.N25 ND2 = 108.862(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.1247e-02 1.L26 C = 179.474(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.0964e-01 1.L26 CA = 58.025(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5885e-01 1.L26 CB = 42.082(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.0347e-01 1.L26 CG = 26.796(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.8839e-01 1.L26 CD1 = 23.681(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.1346e-01 1.L26 CD2 = 24.645(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.2634e-01 1.L26 H = 8.136(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8501e-01 1.L26 HA = 4.034(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.4285e-01 1.L26 HB2 = 1.543(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.4378e-01 1.L26 HB3 = 1.725(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.6905e-01 1.L26 HG = 1.607(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.6880e-01 1.L26 HD11 = 0.778(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.2034e-01 1.L26 HD12 = 0.778(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.2034e-01 1.L26 HD13 = 0.778(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.2034e-01 1.L26 HD21 = 0.788(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.4148e-01 1.L26 HD22 = 0.788(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.4148e-01 1.L26 HD23 = 0.788(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.4148e-01 1.L26 N = 123.729(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.3177e-01 1.L27 C = 177.745(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.0297e-01 1.L27 CA = 55.415(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.2333e-01 1.L27 CB = 42.378(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.7115e-01 1.L27 CG = 26.713(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.5143e-01 1.L27 CD1 = 22.157(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.0697e-01 1.L27 CD2 = 25.902(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.7597e-01 1.L27 H = 7.694(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0959e-01 1.L27 HA = 4.042(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.5419e-01 1.L27 HB2 = 1.355(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.5325e-01 1.L27 HG = 1.616(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.4805e-01 1.L27 HD11 = 0.799(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.6108e-01 1.L27 HD12 = 0.799(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.6108e-01 1.L27 HD13 = 0.799(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.6108e-01 1.L27 HD21 = 0.831(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2763e-01 1.L27 HD22 = 0.831(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2763e-01 1.L27 HD23 = 0.831(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2763e-01 1.L27 N = 116.614(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.7858e-01 1.G28 C = 175.248(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.6357e-01 1.G28 CA = 46.039(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.0713e-01 1.G28 H = 7.696(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.2937e-01 1.G28 HA2 = 4.032(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.6692e-01 1.G28 HA3 = 3.853(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.9892e-01 1.G28 N = 107.110(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.0829e-01 1.H29 C = 174.653(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.6185e-01 1.H29 CA = 54.085(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.9183e-01 1.H29 CB = 34.286(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.0632e-02 1.H29 CD2 = 118.293(D), Expected = 120.49, Std = 3.4200, ChiSquare = 5.2062e-01 1.H29 H = 7.579(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.3102e-01 1.H29 HA = 4.999(D), Expected = 4.61, Std = 0.4300, ChiSquare = 3.6565e-01 1.H29 HB2 = 2.815(D), Expected = 3.10, Std = 0.3600, ChiSquare = 4.2856e-01 1.H29 HB3 = 3.365(D), Expected = 3.04, Std = 0.3800, ChiSquare = 3.9241e-01 1.H29 HD2 = 6.710(D), Expected = 7.00, Std = 0.4300, ChiSquare = 5.0005e-01 1.H29 N = 119.034(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.6973e-01 1.D30 C = 175.033(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.3472e-01 1.D30 CA = 55.343(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.4770e-01 1.D30 CB = 42.549(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.0289e-01 1.D30 H = 9.066(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.9242e-01 1.D30 HA = 4.986(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.1590e-01 1.D30 HB2 = 3.251(D), Expected = 2.72, Std = 0.2600, ChiSquare = 4.1121e-02 1.D30 HB3 = 2.898(D), Expected = 2.66, Std = 0.2800, ChiSquare = 3.9533e-01 1.D30 N = 117.504(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.1506e-01 1.F31 C = 173.743(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.9939e-01 1.F31 CA = 56.650(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.7792e-01 1.F31 CB = 41.200(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.6262e-01 1.F31 CD1 = 131.525(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.6282e-01 1.F31 CD2 = 131.525(D), Expected = 131.63, Std = 1.1200, ChiSquare = 9.2531e-01 1.F31 CE1 = 130.624(D), Expected = 130.71, Std = 1.3000, ChiSquare = 9.4726e-01 1.F31 CE2 = 130.624(D), Expected = 130.76, Std = 1.1300, ChiSquare = 9.0420e-01 1.F31 H = 7.325(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.5058e-01 1.F31 HA = 5.547(D), Expected = 4.63, Std = 0.5700, ChiSquare = 1.0767e-01 1.F31 HB2 = 2.690(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.0212e-01 1.F31 HB3 = 2.459(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.3900e-01 1.F31 HD1 = 6.644(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.7962e-01 1.F31 HD2 = 6.644(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.7962e-01 1.F31 HE1 = 6.849(D), Expected = 7.08, Std = 0.3100, ChiSquare = 4.5617e-01 1.F31 HE2 = 6.849(D), Expected = 7.08, Std = 0.3200, ChiSquare = 4.7037e-01 1.F31 HZ = 6.413(D), Expected = 7.00, Std = 0.4200, ChiSquare = 1.6223e-01 1.F31 N = 114.513(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.5551e-01 1.F32 C = 172.743(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.7855e-01 1.F32 CA = 59.226(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.5566e-01 1.F32 CB = 43.854(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.4486e-02 1.F32 H = 9.153(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.7073e-01 1.F32 HA = 4.351(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.2451e-01 1.F32 HB2 = 2.766(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.2710e-01 1.F32 HB3 = 2.656(D), Expected = 2.93, Std = 0.4000, ChiSquare = 4.9334e-01 1.F32 N = 121.294(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.3998e-01 1.V33 C = 173.588(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.8486e-01 1.V33 CA = 60.832(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.6210e-01 1.V33 CB = 32.732(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.9911e-01 1.V33 CG1 = 21.563(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.5719e-01 1.V33 CG2 = 21.603(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.2597e-01 1.V33 H = 7.189(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.0032e-01 1.V33 HA = 4.905(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.1767e-01 1.V33 HB = 1.546(D), Expected = 1.98, Std = 0.3200, ChiSquare = 1.7502e-01 1.V33 HG11 = 1.198(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.5696e-01 1.V33 HG12 = 1.198(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.5696e-01 1.V33 HG13 = 1.198(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.5696e-01 1.V33 HG21 = 0.936(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.2717e-01 1.V33 HG22 = 0.936(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.2717e-01 1.V33 HG23 = 0.936(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.2717e-01 1.V33 N = 128.250(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.1733e-01 1.F34 C = 172.538(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.4755e-01 1.F34 CA = 55.723(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.5908e-01 1.F34 CB = 41.114(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.9072e-01 1.F34 CD1 = 133.964(D), Expected = 131.58, Std = 1.1800, ChiSquare = 4.3348e-02 1.F34 CD2 = 133.964(D), Expected = 131.63, Std = 1.1200, ChiSquare = 3.7167e-02 1.F34 H = 8.992(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.8006e-01 1.F34 HA = 5.006(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.0948e-01 1.F34 HB2 = 3.242(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.1308e-01 1.F34 HD1 = 7.168(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.2755e-01 1.F34 HD2 = 7.168(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.2755e-01 1.F34 HE1 = 6.953(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.8204e-01 1.F34 HE2 = 6.953(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.9146e-01 1.F34 N = 122.717(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.8758e-01 1.T35 C = 172.724(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.0216e-01 1.T35 CA = 62.256(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8891e-01 1.T35 CB = 69.079(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.8961e-01 1.T35 CG2 = 21.656(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.2392e-01 1.T35 H = 8.362(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.4400e-01 1.T35 HA = 4.317(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.6577e-01 1.T35 HB = 3.536(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.4705e-02 1.T35 HG21 = 0.977(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.7851e-01 1.T35 HG22 = 0.977(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.7851e-01 1.T35 HG23 = 0.977(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.7851e-01 1.T35 N = 118.938(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.5892e-01 1.D36 C = 178.289(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.8040e-01 1.D36 CA = 53.786(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.5609e-01 1.D36 CB = 42.509(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.1463e-01 1.D36 H = 8.637(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.7289e-01 1.D36 HA = 5.091(D), Expected = 4.59, Std = 0.3200, ChiSquare = 1.1744e-01 1.D36 HB2 = 2.192(D), Expected = 2.72, Std = 0.2600, ChiSquare = 4.2278e-02 1.D36 HB3 = 3.191(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.7904e-02 1.D36 N = 129.593(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.0512e-02 1.R37 C = 177.533(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.8013e-01 1.R37 CA = 58.513(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.5052e-01 1.R37 CB = 30.760(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.7384e-01 1.R37 CG = 27.563(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.6863e-01 1.R37 CD = 43.593(D), Expected = 43.16, Std = 0.8800, ChiSquare = 6.2269e-01 1.R37 H = 8.493(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.7832e-01 1.R37 HA = 4.118(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.9236e-01 1.R37 HB2 = 1.752(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.8807e-01 1.R37 HB3 = 1.685(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.8881e-01 1.R37 HG2 = 1.600(D), Expected = 1.57, Std = 0.2700, ChiSquare = 9.1153e-01 1.R37 HD2 = 3.202(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.3260e-01 1.R37 N = 127.582(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.5339e-02 1.E38 C = 177.933(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.8567e-01 1.E38 CA = 58.778(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.8542e-01 1.E38 CB = 30.672(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.0032e-01 1.E38 CG = 37.113(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.9931e-01 1.E38 H = 9.056(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1851e-01 1.E38 HA = 4.207(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.1647e-01 1.E38 HB2 = 2.171(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.7211e-01 1.E38 HB3 = 2.129(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.4561e-01 1.E38 HG2 = 2.398(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.4218e-01 1.E38 HG3 = 2.226(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.1313e-01 1.E38 N = 117.478(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.5902e-01 1.T39 C = 175.725(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.0076e-01 1.T39 CA = 61.318(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.2764e-01 1.T39 CB = 71.169(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.7733e-01 1.T39 CG2 = 21.777(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.3796e-01 1.T39 H = 7.285(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.2348e-01 1.T39 HA = 4.376(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.6108e-01 1.T39 HB = 4.255(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.9673e-01 1.T39 HG21 = 0.693(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.1958e-02 1.T39 HG22 = 0.693(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.1958e-02 1.T39 HG23 = 0.693(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.1958e-02 1.T39 N = 105.437(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.5581e-02 1.D40 C = 174.913(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.9548e-01 1.D40 CA = 56.524(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.6629e-01 1.D40 CB = 40.500(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.1454e-01 1.D40 H = 8.669(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.3594e-01 1.D40 HA = 4.275(D), Expected = 4.59, Std = 0.3200, ChiSquare = 3.2493e-01 1.D40 HB2 = 2.985(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.0809e-01 1.D40 HB3 = 2.777(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.7605e-01 1.D40 N = 119.389(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.4391e-01 1.G41 C = 173.204(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.2315e-01 1.G41 CA = 44.149(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.7011e-01 1.G41 H = 8.045(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.6105e-01 1.G41 HA2 = 4.481(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.6725e-01 1.G41 HA3 = 3.633(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.7053e-01 1.G41 N = 106.203(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.7032e-01 1.T42 C = 174.798(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.8346e-01 1.T42 CA = 64.166(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.5244e-01 1.T42 CB = 68.418(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.2087e-01 1.T42 CG2 = 22.508(D), Expected = 21.55, Std = 1.1100, ChiSquare = 3.8810e-01 1.T42 H = 8.305(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.1650e-01 1.T42 HA = 4.364(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.4148e-01 1.T42 HB = 3.735(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.8744e-01 1.T42 HG21 = 0.873(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.4569e-01 1.T42 HG22 = 0.873(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.4569e-01 1.T42 HG23 = 0.873(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.4569e-01 1.T42 N = 118.803(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.7633e-01 1.S43 C = 170.435(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.4969e-02 1.S43 CA = 56.822(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.5919e-01 1.S43 CB = 67.572(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.0814e-02 1.S43 H = 9.087(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.7138e-01 1.S43 HA = 5.266(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.9414e-02 1.S43 HB2 = 3.387(D), Expected = 3.88, Std = 0.2500, ChiSquare = 4.8610e-02 1.S43 N = 127.065(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.1846e-03 1.I44 C = 176.881(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.9128e-01 1.I44 CA = 60.388(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.4841e-01 1.I44 CB = 43.032(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.9316e-02 1.I44 CG1 = 29.328(D), Expected = 27.71, Std = 1.6800, ChiSquare = 3.3550e-01 1.I44 CG2 = 18.965(D), Expected = 17.53, Std = 1.3600, ChiSquare = 2.9136e-01 1.I44 CD1 = 16.062(D), Expected = 13.43, Std = 1.6700, ChiSquare = 1.1501e-01 1.I44 H = 8.814(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.3228e-01 1.I44 HA = 5.260(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.3784e-02 1.I44 HB = 1.617(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.7407e-01 1.I44 HG12 = 0.863(D), Expected = 1.28, Std = 0.4000, ChiSquare = 2.9718e-01 1.I44 HG13 = 1.412(D), Expected = 1.19, Std = 0.4100, ChiSquare = 5.8819e-01 1.I44 HG21 = 0.595(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.1689e-01 1.I44 HG22 = 0.595(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.1689e-01 1.I44 HG23 = 0.595(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.1689e-01 1.I44 HD11 = 0.551(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.5644e-01 1.I44 HD12 = 0.551(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.5644e-01 1.I44 HD13 = 0.551(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.5644e-01 1.I44 N = 119.726(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8537e-01 1.V45 C = 175.163(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.0992e-01 1.V45 CA = 58.695(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.8453e-01 1.V45 CB = 35.578(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.1160e-01 1.V45 CG1 = 20.544(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.8669e-01 1.V45 CG2 = 22.405(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.6296e-01 1.V45 H = 8.932(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.3796e-01 1.V45 HA = 6.037(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.4501e-03 1.V45 HB = 2.053(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.1955e-01 1.V45 HG11 = 1.016(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7437e-01 1.V45 HG12 = 1.016(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7437e-01 1.V45 HG13 = 1.016(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7437e-01 1.V45 HG21 = 1.157(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.0231e-01 1.V45 HG22 = 1.157(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.0231e-01 1.V45 HG23 = 1.157(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.0231e-01 1.V45 N = 120.771(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3522e-01 1.Y46 C = 173.614(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.6946e-01 1.Y46 CA = 56.412(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.9368e-01 1.Y46 CB = 41.313(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.5617e-01 1.Y46 CD1 = 134.262(D), Expected = 132.77, Std = 1.1700, ChiSquare = 2.0223e-01 1.Y46 CD2 = 134.262(D), Expected = 132.73, Std = 1.3000, ChiSquare = 2.3861e-01 1.Y46 CE1 = 117.963(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.7788e-01 1.Y46 CE2 = 117.963(D), Expected = 117.90, Std = 1.1800, ChiSquare = 9.5742e-01 1.Y46 H = 8.593(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.0842e-01 1.Y46 HA = 5.442(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.4706e-01 1.Y46 HB2 = 2.883(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.4183e-01 1.Y46 HB3 = 3.321(D), Expected = 2.84, Std = 0.3900, ChiSquare = 2.1745e-01 1.Y46 HD1 = 6.907(D), Expected = 6.93, Std = 0.3000, ChiSquare = 9.3889e-01 1.Y46 HD2 = 6.907(D), Expected = 6.93, Std = 0.3000, ChiSquare = 9.3889e-01 1.Y46 HE1 = 6.778(D), Expected = 6.70, Std = 0.2300, ChiSquare = 7.3451e-01 1.Y46 HE2 = 6.778(D), Expected = 6.71, Std = 0.2300, ChiSquare = 7.6750e-01 1.Y46 N = 116.142(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.9724e-01 1.R47 C = 176.192(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.1448e-01 1.R47 CA = 56.638(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.5443e-01 1.R47 CB = 31.394(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.0451e-01 1.R47 CG = 27.406(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.7026e-01 1.R47 CD = 42.898(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.6591e-01 1.R47 H = 8.616(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.3763e-01 1.R47 HA = 4.338(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.3416e-01 1.R47 HB2 = 1.837(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.6181e-01 1.R47 HG2 = 1.711(D), Expected = 1.57, Std = 0.2700, ChiSquare = 6.0152e-01 1.R47 HD2 = 3.440(D), Expected = 3.12, Std = 0.2400, ChiSquare = 1.8242e-01 1.R47 HD3 = 3.262(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.3323e-01 1.R47 N = 122.013(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.4169e-01 1.R48 C = 178.734(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.5228e-01 1.R48 CA = 55.687(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.3919e-01 1.R48 CB = 33.403(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.3966e-01 1.R48 H = 8.224(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.7907e-01 1.R48 HA = 3.985(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.9348e-01 1.R48 HB2 = 1.812(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.3506e-01 1.R48 HB3 = 1.743(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.5159e-01 1.R48 N = 125.336(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.1772e-01 1.K49 CA = 58.471(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8934e-01 1.K49 CB = 32.002(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.5798e-01 1.K49 CG = 25.260(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.4334e-01 1.K49 CD = 28.933(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.8006e-01 1.K49 CE = 42.313(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.0596e-01 1.K49 HA = 4.188(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.5216e-01 1.K49 HB2 = 1.975(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.3539e-01 1.K49 HB3 = 1.936(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.6788e-01 1.K49 HG2 = 1.647(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.8670e-01 1.K49 HG3 = 1.593(D), Expected = 1.35, Std = 0.2800, ChiSquare = 3.8547e-01 1.K49 HD2 = 1.768(D), Expected = 1.61, Std = 0.2200, ChiSquare = 4.7265e-01 1.K49 HE2 = 3.002(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.6605e-01 1.K49 HE3 = 3.076(D), Expected = 2.91, Std = 0.2000, ChiSquare = 4.0654e-01 1.D50 C = 176.949(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.5374e-01 1.D50 CA = 53.025(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.1210e-01 1.D50 CB = 39.891(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.4153e-01 1.D50 H = 7.749(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.3342e-01 1.D50 HA = 4.524(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.3660e-01 1.D50 HB2 = 2.590(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.1707e-01 1.D50 HB3 = 3.096(D), Expected = 2.66, Std = 0.2800, ChiSquare = 1.1944e-01 1.D50 N = 115.174(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.5600e-01 1.G51 C = 174.384(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8454e-01 1.G51 CA = 45.456(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3695e-01 1.G51 H = 7.769(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8810e-01 1.G51 HA2 = 4.186(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.5937e-01 1.G51 HA3 = 3.565(D), Expected = 3.90, Std = 0.3700, ChiSquare = 3.6525e-01 1.G51 N = 107.464(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6866e-01 1.K52 C = 173.841(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.6166e-01 1.K52 CA = 55.186(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.2266e-01 1.K52 CB = 33.290(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.7879e-01 1.K52 CG = 26.213(D), Expected = 24.89, Std = 1.1300, ChiSquare = 2.4168e-01 1.K52 CD = 29.470(D), Expected = 28.96, Std = 1.0800, ChiSquare = 6.3677e-01 1.K52 CE = 42.397(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.3638e-01 1.K52 H = 7.244(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.1487e-01 1.K52 HA = 4.394(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.7808e-01 1.K52 HB2 = 1.654(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.1426e-01 1.K52 HB3 = 1.810(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.9544e-01 1.K52 HG2 = 1.222(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.6920e-01 1.K52 HG3 = 1.262(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.5330e-01 1.K52 HD2 = 1.502(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.2349e-01 1.K52 HD3 = 1.834(D), Expected = 1.60, Std = 0.2200, ChiSquare = 2.8749e-01 1.K52 N = 118.711(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.3498e-01 1.Y53 C = 175.017(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.4738e-01 1.Y53 CA = 57.223(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.1783e-01 1.Y53 CB = 40.199(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.8405e-01 1.Y53 CD1 = 132.915(D), Expected = 132.77, Std = 1.1700, ChiSquare = 9.0137e-01 1.Y53 CD2 = 132.915(D), Expected = 132.73, Std = 1.3000, ChiSquare = 8.8684e-01 1.Y53 CE1 = 118.361(D), Expected = 117.93, Std = 1.1900, ChiSquare = 7.1721e-01 1.Y53 CE2 = 118.361(D), Expected = 117.90, Std = 1.1800, ChiSquare = 6.9604e-01 1.Y53 H = 8.315(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.9454e-01 1.Y53 HA = 5.118(D), Expected = 4.63, Std = 0.5600, ChiSquare = 3.8352e-01 1.Y53 HB2 = 2.683(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.3954e-01 1.Y53 HB3 = 2.758(D), Expected = 2.84, Std = 0.3900, ChiSquare = 8.3347e-01 1.Y53 HD1 = 6.901(D), Expected = 6.93, Std = 0.3000, ChiSquare = 9.2299e-01 1.Y53 HD2 = 6.901(D), Expected = 6.93, Std = 0.3000, ChiSquare = 9.2299e-01 1.Y53 HE1 = 6.759(D), Expected = 6.70, Std = 0.2300, ChiSquare = 7.9755e-01 1.Y53 HE2 = 6.759(D), Expected = 6.71, Std = 0.2300, ChiSquare = 8.3129e-01 1.Y53 N = 117.589(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.8527e-01 1.G54 C = 171.727(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.5433e-01 1.G54 CA = 43.336(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.3284e-01 1.G54 H = 8.713(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.5571e-01 1.G54 HA2 = 4.972(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.7668e-03 1.G54 HA3 = 2.633(S), Expected = 3.90, Std = 0.3700, ChiSquare = 6.1633e-04 1.G54 N = 109.659(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9773e-01 1.L55 C = 175.137(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.4935e-01 1.L55 CA = 53.666(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5895e-01 1.L55 CB = 46.895(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.4735e-02 1.L55 CG = 28.463(D), Expected = 26.78, Std = 1.1000, ChiSquare = 1.2602e-01 1.L55 CD1 = 26.320(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.1428e-01 1.L55 CD2 = 24.194(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.3250e-01 1.L55 H = 7.723(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3539e-01 1.L55 HA = 5.505(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.1693e-02 1.L55 HB2 = 1.512(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.7317e-01 1.L55 HB3 = 1.319(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.7662e-01 1.L55 HG = 1.378(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.8916e-01 1.L55 HD11 = 0.920(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.4376e-01 1.L55 HD12 = 0.920(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.4376e-01 1.L55 HD13 = 0.920(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.4376e-01 1.L55 HD21 = 1.054(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.6389e-01 1.L55 HD22 = 1.054(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.6389e-01 1.L55 HD23 = 1.054(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.6389e-01 1.L55 N = 120.282(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8576e-01 1.I56 C = 175.012(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.6250e-01 1.I56 CA = 60.434(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.6080e-01 1.I56 CB = 40.879(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.6555e-01 1.I56 CG1 = 27.786(D), Expected = 27.71, Std = 1.6800, ChiSquare = 9.6392e-01 1.I56 CG2 = 17.009(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.0165e-01 1.I56 CD1 = 14.622(D), Expected = 13.43, Std = 1.6700, ChiSquare = 4.7537e-01 1.I56 H = 9.604(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.1528e-02 1.I56 HA = 4.477(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.9586e-01 1.I56 HB = 1.760(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.4502e-01 1.I56 HG12 = 1.748(D), Expected = 1.28, Std = 0.4000, ChiSquare = 2.4200e-01 1.I56 HG13 = 1.086(D), Expected = 1.19, Std = 0.4100, ChiSquare = 7.9976e-01 1.I56 HG21 = 0.611(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.5594e-01 1.I56 HG22 = 0.611(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.5594e-01 1.I56 HG23 = 0.611(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.5594e-01 1.I56 HD11 = 0.704(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.3404e-01 1.I56 HD12 = 0.704(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.3404e-01 1.I56 HD13 = 0.704(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.3404e-01 1.I56 N = 128.516(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.9230e-02 1.Q57 C = 176.078(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.0530e-01 1.Q57 CA = 54.610(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.5973e-01 1.Q57 CB = 30.732(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.9685e-01 1.Q57 CG = 34.158(D), Expected = 33.76, Std = 1.1100, ChiSquare = 7.1993e-01 1.Q57 H = 8.736(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.8180e-01 1.Q57 HA = 4.982(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.0562e-01 1.Q57 HG2 = 2.150(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.2894e-01 1.Q57 HG3 = 2.379(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.5892e-01 1.Q57 HE21 = 8.245(D), Expected = 7.24, Std = 0.4500, ChiSquare = 2.5527e-02 1.Q57 HE22 = 7.016(D), Expected = 7.02, Std = 0.4400, ChiSquare = 9.9275e-01 1.Q57 N = 126.194(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.9927e-02 1.Q57 NE2 = 114.931(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.5133e-02 1.T58 C = 174.270(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.7808e-01 1.T58 CA = 62.416(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.3968e-01 1.T58 CB = 69.588(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.3058e-01 1.T58 CG2 = 21.286(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.1201e-01 1.T58 H = 7.869(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.4958e-01 1.T58 HA = 4.420(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.3359e-01 1.T58 HB = 4.198(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.3238e-01 1.T58 HG21 = 0.935(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.7277e-01 1.T58 HG22 = 0.935(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.7277e-01 1.T58 HG23 = 0.935(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.7277e-01 1.T58 N = 113.729(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.2184e-01 1.S59 C = 174.144(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.8198e-01 1.S59 CA = 58.014(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.3306e-01 1.S59 CB = 64.313(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.2888e-01 1.S59 H = 8.131(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.0062e-01 1.S59 HA = 4.526(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.0845e-01 1.S59 HB2 = 3.825(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.2587e-01 1.S59 HB3 = 3.787(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.1550e-01 1.S59 N = 115.602(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.4726e-01 1.E60 C = 176.298(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.6927e-01 1.E60 CA = 56.539(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.0864e-01 1.E60 CB = 30.495(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.7796e-01 1.E60 CG = 36.360(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.3360e-01 1.E60 H = 8.361(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5810e-01 1.E60 HA = 4.319(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.6635e-01 1.E60 HB2 = 2.005(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.4306e-01 1.E60 HB3 = 1.897(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.8596e-01 1.E60 HG2 = 2.235(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.6763e-01 1.E60 HG3 = 2.124(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.6683e-01 1.E60 N = 122.199(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.6039e-01 1.Q61 C = 175.716(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.6066e-01 1.Q61 CA = 55.972(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.7991e-01 1.Q61 CB = 29.521(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.5569e-01 1.Q61 CG = 33.753(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.9497e-01 1.Q61 H = 8.302(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.8946e-01 1.Q61 HA = 4.234(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.3479e-01 1.Q61 HB2 = 1.937(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.5127e-01 1.Q61 HG2 = 2.224(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.2217e-01 1.Q61 HE21 = 7.417(D), Expected = 7.24, Std = 0.4500, ChiSquare = 6.9407e-01 1.Q61 HE22 = 6.785(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.9328e-01 1.Q61 N = 120.668(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.2890e-01 1.Q61 NE2 = 111.670(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.0743e-01