Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.43 A 0.35 C 0.21 C Shift Assignments>> C :: 174.974(D) CA :: 53.999(D) CB :: 33.397(D) CG :: 31.766(D) CE :: 17.795(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 :: 8.458(D) HA :: 4.531(D) HB2 :: 2.042(D) HB3 :: 1.628(D) HG2 :: 2.579(D) HG3 :: 2.551(D) HE1 :: 2.491(D) HE2 :: 2.491(D) HE3 :: 2.491(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 :: 127.923(D) Ave N Shift Values>> N :: 120.09(3.57) 1.N2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.67 C 0.11 Y 0.07 F 0.07 L 0.04 M 0.01 C Shift Assignments>> C :: 175.198(D) CA :: 52.906(D) CB :: 38.485(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 :: 8.592(D) HA :: 4.766(D) HB2 :: 2.888(D) HB3 :: 2.785(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 :: 120.143(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.063(D) CA :: 61.504(D) CB :: 38.284(D) CG1 :: 27.236(D) CG2 :: 17.601(D) CD1 :: 12.994(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 :: 8.222(D) HA :: 4.251(D) HB :: 1.981(D) HG12 :: 1.521(D) HG13 :: 1.243(D) HG21 :: 0.965(D) HG22 :: 0.965(D) HG23 :: 0.965(D) HD11 :: 0.898(D) HD12 :: 0.898(D) HD13 :: 0.898(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 :: 120.672(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.153(D) CA :: 62.239(D) CB :: 69.357(D) CG2 :: 21.579(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 :: 8.051(D) HA :: 4.356(D) HB :: 4.393(D) HG21 :: 1.268(D) HG22 :: 1.268(D) HG23 :: 1.268(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.924(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.662(D) CA :: 59.262(D) CB :: 63.327(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.167(D) HA :: 4.428(D) HB2 :: 4.017(D) HB3 :: 3.949(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.805(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 K 0.29 C 0.26 R 0.07 M 0.04 C Shift Assignments>> C :: 176.684(D) CA :: 56.682(D) CB :: 28.719(D) CG :: 33.595(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 :: 8.305(D) HA :: 4.312(D) HB2 :: 2.191(D) HB3 :: 2.083(D) HG2 :: 2.427(D) HG3 :: 2.427(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 :: 120.942(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.5 C 0.41 A 0.07 HN Overlap>> 1.L36 1.L36 C Shift Assignments>> C :: 175.938(D) CA :: 56.290(D) CB :: 32.704(D) CG :: 32.052(D) CE :: 17.000(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 :: 8.134(D) HA :: 4.409(D) HB2 :: 2.105(D) HB3 :: 2.105(D) HG2 :: 2.583(D) HG3 :: 2.583(D) HE1 :: 2.100(D) HE2 :: 2.100(D) HE3 :: 2.100(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.747(D) Ave N Shift Values>> N :: 120.09(3.57) 1.N8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.48 C 0.14 Y 0.14 F 0.13 L 0.05 M 0.01 I 0.01 C Shift Assignments>> C :: 176.233(D) CA :: 54.218(D) CB :: 38.571(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 :: 8.087(D) HA :: 4.600(D) HB2 :: 2.991(D) HB3 :: 2.885(D) HD21 :: 6.869 HD22 :: 7.599 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.215(D) ND2 :: 112.563 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.48 K 0.44 R 0.06 C Shift Assignments>> C :: 177.745(D) CA :: 59.764(D) CB :: 32.357(D) CG :: 25.436(D) CD :: 29.299(D) CE :: 41.722(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 :: 8.489(D) HA :: 3.978(D) HB2 :: 1.904(D) HB3 :: 1.992(D) HG2 :: 1.456(D) HG3 :: 1.650(D) HD2 :: 1.775(D) HD3 :: 1.775(D) HE2 :: 3.027(D) HE3 :: 3.027(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 :: 120.473(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.751(D) CA :: 66.557(D) CB :: 67.885(D) CG2 :: 21.721(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 :: 8.072(D) HA :: 3.962(D) HB :: 4.358(D) HG1 :: 1.001(D) HG21 :: 1.226(D) HG22 :: 1.226(D) HG23 :: 1.226(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.731(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 179.017(D) CA :: 64.576(D) CB :: 37.237(D) CG1 :: 28.949(D) CG2 :: 17.300(D) CD1 :: 12.673(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 :: 8.239(D) HA :: 3.743(D) HB :: 2.027(D) HG12 :: 1.770(D) HG13 :: 1.221(D) HG21 :: 0.926(D) HG22 :: 0.926(D) HG23 :: 0.926(D) HD11 :: 0.920(D) HD12 :: 0.920(D) HD13 :: 0.920(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 :: 120.819(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.87 C 0.12 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 177.493(D) CA :: 65.231(D) CB :: 37.237(D) CG1 :: 28.972(D) CG2 :: 17.134(D) CD1 :: 12.706(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 :: 8.299(D) HA :: 3.689(D) HB :: 2.005(D) HG12 :: 1.838(D) HG13 :: 1.127(D) HG21 :: 0.917(D) HG22 :: 0.917(D) HG23 :: 0.917(D) HD11 :: 0.880(D) HD12 :: 0.880(D) HD13 :: 0.880(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 :: 121.910(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 C 0.11 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 174.896(D) CA :: 47.757(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.577(D) HA2 :: 3.826 HA3 :: 3.694(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.415(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 178.690(D) CA :: 66.325(D) CB :: 31.272(D) CG1 :: 21.416(D) CG2 :: 23.127(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 :: 8.796(D) HA :: 3.691(D) HB :: 2.202(D) HG11 :: 0.967(D) HG12 :: 0.967(D) HG13 :: 0.967(D) HG21 :: 1.117(D) HG22 :: 1.117(D) HG23 :: 1.117(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 :: 119.290(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.114(D) CA :: 63.651(D) CB :: 62.533(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.338(D) HA :: 4.132(D) HB2 :: 3.663(D) HB3 :: 3.663 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.083(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.260(D) CA :: 66.832(D) CB :: 31.106(D) CG1 :: 20.993(D) CG2 :: 22.802(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 :: 8.416(D) HA :: 3.530(D) HB :: 2.188(D) HG11 :: 0.907(D) HG12 :: 0.907(D) HG13 :: 0.907(D) HG21 :: 1.078(D) HG22 :: 1.078(D) HG23 :: 1.078(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 :: 120.985(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.57 C 0.41 C Shift Assignments>> C :: 178.130(D) CA :: 57.999(D) CB :: 41.465(D) CG :: 26.679(D) CD1 :: 23.610(D) CD2 :: 24.205(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 :: 8.215(D) HA :: 4.009(D) HB2 :: 1.785(D) HB3 :: 1.676(D) HG :: 1.789(D) HD11 :: 0.831(D) HD12 :: 0.831(D) HD13 :: 0.831(D) HD21 :: 0.903(D) HD22 :: 0.903(D) HD23 :: 0.903(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.178(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.222(D) CA :: 63.618(D) CB :: 62.605(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.339(D) HA :: 4.095(D) HB2 :: 3.692(D) HB3 :: 3.475(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.471(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 178.410(D) CA :: 66.456(D) CB :: 30.974(D) CG1 :: 21.263(D) CG2 :: 22.826(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 :: 7.895(D) HA :: 3.551(D) HB :: 2.195(D) HG11 :: 0.888(D) HG12 :: 0.888(D) HG13 :: 0.888(D) HG21 :: 1.062(D) HG22 :: 1.062(D) HG23 :: 1.062(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 :: 120.464(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.56 C 0.42 HN Overlap>> 1.I12 1.I12 C Shift Assignments>> C :: 177.738(D) CA :: 58.429(D) CB :: 41.373(D) CG :: 26.495(D) CD1 :: 24.290(D) CD2 :: 23.391(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 :: 8.227(D) HA :: 4.019(D) HB2 :: 1.924(D) HB3 :: 1.725(D) HG :: 1.732(D) HD11 :: 0.881(D) HD12 :: 0.881(D) HD13 :: 0.881(D) HD21 :: 0.838(D) HD22 :: 0.838(D) HD23 :: 0.838(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.937(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.229(D) CA :: 67.292(D) CB :: 31.052(D) CG1 :: 21.159(D) CG2 :: 22.935(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 :: 8.490(D) HA :: 3.486(D) HB :: 2.201(D) HG11 :: 0.888(D) HG12 :: 0.888(D) HG13 :: 0.888(D) HG21 :: 1.058(D) HG22 :: 1.058(D) HG23 :: 1.058(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 :: 117.556(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 176.886(D) CA :: 66.885(D) CB :: 30.994(D) CG1 :: 21.209(D) CG2 :: 23.071(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 :: 8.291(D) HA :: 3.498(D) HB :: 2.146(D) HG11 :: 0.914(D) HG12 :: 0.914(D) HG13 :: 0.914(D) HG21 :: 1.055(D) HG22 :: 1.055(D) HG23 :: 1.055(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 :: 117.097(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.880(D) CA :: 63.519(D) CB :: 62.822(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.112(D) HA :: 4.071(D) HB2 :: 3.597(D) HB3 :: 3.908 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 :: 115.347(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.9 C 0.09 HN Overlap>> 1.A40 1.R47 1.A40 1.R47 C Shift Assignments>> C :: 177.337(D) CA :: 66.686(D) CB :: 31.187(D) CG1 :: 21.258(D) CG2 :: 23.048(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 :: 8.002(D) HA :: 3.594(D) HB :: 2.266(D) HG11 :: 0.929(D) HG12 :: 0.929(D) HG13 :: 0.929(D) HG21 :: 1.077(D) HG22 :: 1.077(D) HG23 :: 1.077(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 :: 120.096(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 176.863(D) CA :: 67.319(D) CB :: 30.907(D) CG1 :: 21.490(D) CG2 :: 23.176(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 :: 8.232(D) HA :: 3.500(D) HB :: 2.232(D) HG11 :: 0.913(D) HG12 :: 0.913(D) HG13 :: 0.913(D) HG21 :: 1.041(D) HG22 :: 1.041(D) HG23 :: 1.041(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.473(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.62 A 0.27 I 0.06 C 0.02 C Shift Assignments>> C :: 178.690(D) CA :: 55.684(D) CB :: 17.954(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.683(D) HA :: 3.962(D) HB1 :: 1.530(D) HB2 :: 1.530(D) HB3 :: 1.530(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.583(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.547(D) CA :: 66.625(D) CB :: 31.109(D) CG1 :: 21.483(D) CG2 :: 23.042(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.966(D) HA :: 3.757(D) HB :: 2.301(D) HG11 :: 1.053(D) HG12 :: 1.053(D) HG13 :: 1.053(D) HG21 :: 1.160(D) HG22 :: 1.160(D) HG23 :: 1.160(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 :: 115.937(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.54 C 0.42 R 0.01 C Shift Assignments>> C :: 178.768(D) CA :: 58.286(D) CB :: 41.579(D) CG :: 26.361(D) CD1 :: 25.681(D) CD2 :: 22.993(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 :: 8.232(D) HA :: 4.130(D) HB2 :: 2.150(D) HB3 :: 1.504(D) HG :: 2.054(D) HD11 :: 0.882(D) HD12 :: 0.882(D) HD13 :: 0.882(D) HD21 :: 0.926(D) HD22 :: 0.926(D) HD23 :: 0.926(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 :: 119.236(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 176.980(D) CA :: 66.913(D) CB :: 30.856(D) CG1 :: 21.819(D) CG2 :: 23.280(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 :: 8.833(D) HA :: 3.694(D) HB :: 2.299(D) HG11 :: 1.022(D) HG12 :: 1.022(D) HG13 :: 1.022(D) HG21 :: 1.102(D) HG22 :: 1.102(D) HG23 :: 1.102(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.474(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 177.073(D) CA :: 62.033(D) CB :: 38.455(D) CD1 :: 132.586(D) CE1 :: 117.920(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 :: 8.451(D) HA :: 4.209(D) HB2 :: 3.391(D) HB3 :: 3.124(D) HD1 :: 7.021(D) HD2 :: 7.021(D) HE1 :: 6.796(D) HE2 :: 6.796(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.971(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 179.219(D) CA :: 58.892(D) CB :: 32.085(D) CG :: 24.823(D) CD :: 28.702(D) CE :: 41.531(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 :: 8.736(D) HA :: 4.036(D) HB2 :: 2.033(D) HB3 :: 2.033(D) HG2 :: 1.254(D) HG3 :: 1.254(D) HD2 :: 1.709(D) HD3 :: 1.709(D) HE2 :: 2.976(D) HE3 :: 2.976(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.027(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.56 C 0.34 Y 0.09 C Shift Assignments>> C :: 176.339(D) CA :: 66.887(S) CB :: 38.976(D) CD1 :: 131.469(D) CE1 :: 130.469(D) CZ :: 129.646 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 :: 8.580(D) HA :: 4.611(D) HB2 :: 3.169(D) HB3 :: 3.347(D) HD1 :: 7.174(D) HD2 :: 7.174(D) HE1 :: 7.209(D) HE2 :: 7.209(D) HZ :: 7.312 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 :: 118.393(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.64 C 0.34 C Shift Assignments>> C :: 176.358(D) CA :: 61.921(D) CB :: 38.448(D) CD1 :: 132.335(D) CE1 :: 117.849(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 :: 8.477(D) HA :: 4.022(D) HB2 :: 3.401(D) HB3 :: 3.097(D) HD1 :: 6.681(D) HD2 :: 6.681(D) HE1 :: 6.647(D) HE2 :: 6.647(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.161(D) Ave N Shift Values>> N :: 120.52(4.2) 1.F34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.37 Y 0.37 C 0.25 C Shift Assignments>> C :: 177.415(D) CA :: 61.438(D) CB :: 38.287(D) CD1 :: 131.642(D) CE1 :: 131.533(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 :: 8.376(D) HA :: 3.942(D) HB2 :: 3.050(D) HB3 :: 2.884(D) HD1 :: 7.096(D) HD2 :: 7.096(D) HE1 :: 7.260(D) HE2 :: 7.260(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.447(D) Ave N Shift Values>> N :: 120.45(4.18) 1.H35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.51 H 0.48 C Shift Assignments>> C :: 176.684(D) CA :: 58.773(D) CB :: 28.266(D) CD2 :: 119.278(D) CE1 :: 138.045(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.079(D) HA :: 4.282(D) HB2 :: 3.304(D) HB3 :: 3.350(D) HD2 :: 7.143(D) HE1 :: 8.402(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 :: 116.966(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.6 C 0.38 HN Overlap>> 1.M7 1.M7 C Shift Assignments>> C :: 178.255(D) CA :: 57.373(D) CB :: 41.237(D) CG :: 26.534(D) CD1 :: 24.989(D) CD2 :: 23.395(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 :: 8.182(D) HA :: 3.940(D) HB2 :: 1.637(D) HB3 :: 1.426(D) HG :: 1.568(D) HD11 :: 0.791(D) HD12 :: 0.791(D) HD13 :: 0.791(D) HD21 :: 0.791(D) HD22 :: 0.791(D) HD23 :: 0.791(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 :: 119.654(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.49 C 0.47 A 0.03 C Shift Assignments>> C :: 178.610(D) CA :: 57.149(D) CB :: 32.055 CG :: 32.063(D) CE :: 17.076(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 :: 8.012(D) HA :: 4.129(D) HB2 :: 1.884(D) HB3 :: 1.948(D) HG2 :: 2.299(D) HG3 :: 2.117(D) HE1 :: 1.922(D) HE2 :: 1.922(D) HE3 :: 1.922(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 :: 117.262(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.6 C 0.38 C Shift Assignments>> C :: 179.577(D) CA :: 57.195(D) CB :: 41.482(D) CG :: 26.459(D) CD1 :: 23.457(D) CD2 :: 24.723(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 :: 7.717(D) HA :: 4.107(D) HB2 :: 1.699(D) HB3 :: 1.531(D) HG :: 1.526(D) HD11 :: 0.818(D) HD12 :: 0.818(D) HD13 :: 0.818(D) HD21 :: 0.833(D) HD22 :: 0.833(D) HD23 :: 0.833(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 :: 120.777(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.62 C 0.35 R 0.01 C Shift Assignments>> C :: 178.119(D) CA :: 56.759(D) CB :: 41.634(D) CG :: 26.691(D) CD1 :: 24.694(D) CD2 :: 23.431(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 :: 7.847(D) HA :: 4.121(D) HB2 :: 1.809(D) HB3 :: 1.615(D) HG :: 1.655(D) HD11 :: 0.864(D) HD12 :: 0.864(D) HD13 :: 0.864(D) HD21 :: 0.864(D) HD22 :: 0.864(D) HD23 :: 0.864(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 :: 120.140(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.69 M 0.27 C 0.01 HN Overlap>> 1.R47 1.V24 1.R47 1.V24 C Shift Assignments>> C :: 178.488(D) CA :: 53.600(D) CB :: 18.428(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.104(D) HA :: 4.126(D) HB1 :: 1.479(D) HB2 :: 1.479(D) HB3 :: 1.479(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.062(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 175.068(D) CA :: 45.873(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.975(D) HA2 :: 3.986(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.964(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.32 C 0.25 R 0.15 Q 0.08 K 0.07 H 0.06 L 0.03 C Shift Assignments>> C :: 175.610(D) CA :: 59.892(D) CB :: 27.625(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.953(D) HA :: 4.419(D) HB2 :: 3.008(D) HB3 :: 3.008(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.721(D) Ave N Shift Values>> N :: 120.17(4.64) 1.I43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.125(D) CA :: 61.458(D) CB :: 38.291(D) CG1 :: 27.282(D) CG2 :: 17.268(D) CD1 :: 12.882(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 :: 7.722(D) HA :: 4.094(D) HB :: 1.874(D) HG12 :: 1.515(D) HG13 :: 1.156(D) HG21 :: 0.849(D) HG22 :: 0.849(D) HG23 :: 0.849(D) HD11 :: 0.819(D) HD12 :: 0.819(D) HD13 :: 0.819(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 :: 119.501(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.46 C 0.39 R 0.13 C Shift Assignments>> C :: 176.865(D) CA :: 56.353(D) CB :: 32.748(D) CG :: 24.423(D) CD :: 28.776(D) CE :: 41.883(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 :: 8.078(D) HA :: 4.248(D) HB2 :: 1.692(D) HB3 :: 1.692(D) HG2 :: 1.327(D) HG3 :: 1.327(D) HD2 :: 1.617(D) HD3 :: 1.617(D) HE2 :: 2.955(D) HE3 :: 2.955(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.670(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 176.257(D) CA :: 57.819(D) CB :: 38.699(D) CD1 :: 132.974(D) CE1 :: 118.018(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.998(D) HA :: 4.595(D) HB2 :: 3.114(D) HB3 :: 2.948(D) HD1 :: 7.158(D) HD2 :: 7.158(D) HE1 :: 6.845(D) HE2 :: 6.845(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.675(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.419(D) CA :: 45.192(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.174(D) HA2 :: 3.951(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.003(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.51 C 0.36 K 0.07 G 0.05 HN Overlap>> 1.A40 1.A40 1.V24 1.V24 C Shift Assignments>> C :: 175.906(D) CA :: 55.624(D) CB :: 30.691(D) CG :: 26.808(D) CD :: 43.156(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 :: 8.071(D) HA :: 4.412(D) HB2 :: 1.961(D) HB3 :: 1.783(D) HG2 :: 1.623(D) HG3 :: 1.623(D) HD2 :: 3.209(D) HD3 :: 3.209(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.033(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.G48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 176.133(D) CA :: 45.796(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.999(D) HA2 :: 3.789(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.735(D) Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 47 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 48 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 48 #Suspicious: 0 C Shift Results: #Consistent: 2 #Duplicate: 218 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 6 #Duplicate: 365 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 1 #Duplicate: 48 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 C = 174.974(D), Expected = 176.18, Std = 2.0900, ChiSquare = 5.6392e-01 1.M1 CA = 53.999(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.4382e-01 1.M1 CB = 33.397(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.5582e-01 1.M1 CG = 31.766(D), Expected = 32.01, Std = 1.2400, ChiSquare = 8.4400e-01 1.M1 CE = 17.795(D), Expected = 17.07, Std = 1.5800, ChiSquare = 6.4633e-01 1.M1 H = 8.458(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.4140e-01 1.M1 HA = 4.531(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.0098e-01 1.M1 HB2 = 2.042(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.7185e-01 1.M1 HB3 = 1.628(D), Expected = 1.99, Std = 0.3400, ChiSquare = 2.8701e-01 1.M1 HG2 = 2.579(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.4962e-01 1.M1 HG3 = 2.551(D), Expected = 2.39, Std = 0.3800, ChiSquare = 6.7180e-01 1.M1 HE1 = 2.491(D), Expected = 1.89, Std = 0.4600, ChiSquare = 1.9137e-01 1.M1 HE2 = 2.491(D), Expected = 1.89, Std = 0.4600, ChiSquare = 1.9137e-01 1.M1 HE3 = 2.491(D), Expected = 1.89, Std = 0.4600, ChiSquare = 1.9137e-01 1.M1 N = 127.923(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.8227e-02 1.N2 C = 175.198(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.6792e-01 1.N2 CA = 52.906(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.3594e-01 1.N2 CB = 38.485(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.0345e-01 1.N2 H = 8.592(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.8916e-01 1.N2 HA = 4.766(D), Expected = 4.67, Std = 0.3600, ChiSquare = 7.8973e-01 1.N2 HB2 = 2.888(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.0134e-01 1.N2 HB3 = 2.785(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.1553e-01 1.N2 N = 120.143(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.6342e-01 1.I3 C = 176.063(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.1167e-01 1.I3 CA = 61.504(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.6845e-01 1.I3 CB = 38.284(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.6400e-01 1.I3 CG1 = 27.236(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.7783e-01 1.I3 CG2 = 17.601(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.5836e-01 1.I3 CD1 = 12.994(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.9403e-01 1.I3 H = 8.222(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.3203e-01 1.I3 HA = 4.251(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.9911e-01 1.I3 HB = 1.981(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.8824e-01 1.I3 HG12 = 1.521(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.4684e-01 1.I3 HG13 = 1.243(D), Expected = 1.19, Std = 0.4100, ChiSquare = 8.9715e-01 1.I3 HG21 = 0.965(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.7016e-01 1.I3 HG22 = 0.965(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.7016e-01 1.I3 HG23 = 0.965(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.7016e-01 1.I3 HD11 = 0.898(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5222e-01 1.I3 HD12 = 0.898(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5222e-01 1.I3 HD13 = 0.898(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5222e-01 1.I3 N = 120.672(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5393e-01 1.T4 C = 175.153(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.2762e-01 1.T4 CA = 62.239(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.9415e-01 1.T4 CB = 69.357(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.1900e-01 1.T4 CG2 = 21.579(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.7916e-01 1.T4 H = 8.051(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.6049e-01 1.T4 HA = 4.356(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.2847e-01 1.T4 HB = 4.393(D), Expected = 4.17, Std = 0.3300, ChiSquare = 4.9919e-01 1.T4 HG21 = 1.268(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.7785e-01 1.T4 HG22 = 1.268(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.7785e-01 1.T4 HG23 = 1.268(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.7785e-01 1.T4 N = 114.924(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.1684e-01 1.S5 C = 174.662(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.8052e-01 1.S5 CA = 59.262(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.9345e-01 1.S5 CB = 63.327(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.4928e-01 1.S5 H = 8.167(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.4811e-01 1.S5 HA = 4.428(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.9657e-01 1.S5 HB2 = 4.017(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.8369e-01 1.S5 HB3 = 3.949(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.1387e-01 1.S5 N = 116.805(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.8144e-01 1.Q6 C = 176.684(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.4790e-01 1.Q6 CA = 56.682(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.5826e-01 1.Q6 CB = 28.719(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.9580e-01 1.Q6 CG = 33.595(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.8183e-01 1.Q6 H = 8.305(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.8545e-01 1.Q6 HA = 4.312(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2395e-01 1.Q6 HB2 = 2.191(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.7275e-01 1.Q6 HB3 = 2.083(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.2198e-01 1.Q6 HG2 = 2.427(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.9189e-01 1.Q6 HG3 = 2.427(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.3663e-01 1.Q6 N = 120.942(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7012e-01 1.M7 C = 175.938(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.0782e-01 1.M7 CA = 56.290(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.3567e-01 1.M7 CB = 32.704(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.9840e-01 1.M7 CG = 32.052(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.7298e-01 1.M7 CE = 17.000(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.6466e-01 1.M7 H = 8.134(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.3367e-01 1.M7 HA = 4.409(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.9834e-01 1.M7 HB2 = 2.105(D), Expected = 2.03, Std = 0.3400, ChiSquare = 8.2541e-01 1.M7 HB3 = 2.105(D), Expected = 1.99, Std = 0.3400, ChiSquare = 7.3519e-01 1.M7 HG2 = 2.583(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.4142e-01 1.M7 HG3 = 2.583(D), Expected = 2.39, Std = 0.3800, ChiSquare = 6.1153e-01 1.M7 HE1 = 2.100(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.4801e-01 1.M7 HE2 = 2.100(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.4801e-01 1.M7 HE3 = 2.100(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.4801e-01 1.M7 N = 119.747(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.2346e-01 1.N8 C = 176.233(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.9058e-01 1.N8 CA = 54.218(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.1837e-01 1.N8 CB = 38.571(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4386e-01 1.N8 H = 8.087(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.8799e-01 1.N8 HA = 4.600(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.4583e-01 1.N8 HB2 = 2.991(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.5931e-01 1.N8 HB3 = 2.885(D), Expected = 2.75, Std = 0.3300, ChiSquare = 6.8247e-01 1.N8 N = 119.215(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.4362e-01 1.K9 C = 177.745(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.8061e-01 1.K9 CA = 59.764(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.0086e-01 1.K9 CB = 32.357(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0781e-01 1.K9 CG = 25.436(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.2896e-01 1.K9 CD = 29.299(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.5361e-01 1.K9 CE = 41.722(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.3767e-01 1.K9 H = 8.489(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.1825e-01 1.K9 HA = 3.978(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.0692e-01 1.K9 HB2 = 1.904(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.1989e-01 1.K9 HB3 = 1.992(D), Expected = 1.74, Std = 0.2700, ChiSquare = 3.5065e-01 1.K9 HG2 = 1.456(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.4082e-01 1.K9 HG3 = 1.650(D), Expected = 1.35, Std = 0.2800, ChiSquare = 2.8398e-01 1.K9 HD2 = 1.775(D), Expected = 1.61, Std = 0.2200, ChiSquare = 4.5325e-01 1.K9 HD3 = 1.775(D), Expected = 1.60, Std = 0.2200, ChiSquare = 4.2635e-01 1.K9 HE2 = 3.027(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.7333e-01 1.K9 HE3 = 3.027(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.5855e-01 1.K9 N = 120.473(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.7836e-01 1.T10 C = 175.751(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.9141e-01 1.T10 CA = 66.557(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.4029e-02 1.T10 CB = 67.885(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.5768e-01 1.T10 CG2 = 21.721(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.7757e-01 1.T10 H = 8.072(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.8642e-01 1.T10 HA = 3.962(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.9950e-01 1.T10 HB = 4.358(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.6888e-01 1.T10 HG1 = 1.001(D), Expected = 4.92, Std = 1.5800, ChiSquare = 1.3124e-02 1.T10 HG21 = 1.226(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.0847e-01 1.T10 HG22 = 1.226(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.0847e-01 1.T10 HG23 = 1.226(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.0847e-01 1.T10 N = 116.731(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.8255e-01 1.I11 C = 179.017(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.9049e-02 1.I11 CA = 64.576(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.6842e-01 1.I11 CB = 37.237(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.9044e-01 1.I11 CG1 = 28.949(D), Expected = 27.71, Std = 1.6800, ChiSquare = 4.6082e-01 1.I11 CG2 = 17.300(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.6570e-01 1.I11 CD1 = 12.673(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.5034e-01 1.I11 H = 8.239(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.5192e-01 1.I11 HA = 3.743(D), Expected = 4.18, Std = 0.5600, ChiSquare = 4.3518e-01 1.I11 HB = 2.027(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.9437e-01 1.I11 HG12 = 1.770(D), Expected = 1.28, Std = 0.4000, ChiSquare = 2.2058e-01 1.I11 HG13 = 1.221(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.3973e-01 1.I11 HG21 = 0.926(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6341e-01 1.I11 HG22 = 0.926(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6341e-01 1.I11 HG23 = 0.926(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.6341e-01 1.I11 HD11 = 0.920(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.0791e-01 1.I11 HD12 = 0.920(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.0791e-01 1.I11 HD13 = 0.920(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.0791e-01 1.I11 N = 120.819(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.8095e-01 1.I12 C = 177.493(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.9215e-01 1.I12 CA = 65.231(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7666e-01 1.I12 CB = 37.237(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.9044e-01 1.I12 CG1 = 28.972(D), Expected = 27.71, Std = 1.6800, ChiSquare = 4.5254e-01 1.I12 CG2 = 17.134(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.7092e-01 1.I12 CD1 = 12.706(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.6463e-01 1.I12 H = 8.299(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.7771e-01 1.I12 HA = 3.689(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.8060e-01 1.I12 HB = 2.005(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.3783e-01 1.I12 HG12 = 1.838(D), Expected = 1.28, Std = 0.4000, ChiSquare = 1.6302e-01 1.I12 HG13 = 1.127(D), Expected = 1.19, Std = 0.4100, ChiSquare = 8.7788e-01 1.I12 HG21 = 0.917(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.8614e-01 1.I12 HG22 = 0.917(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.8614e-01 1.I12 HG23 = 0.917(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.8614e-01 1.I12 HD11 = 0.880(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.9041e-01 1.I12 HD12 = 0.880(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.9041e-01 1.I12 HD13 = 0.880(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.9041e-01 1.I12 N = 121.910(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1626e-01 1.G13 C = 174.896(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.8524e-01 1.G13 CA = 47.757(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.2452e-02 1.G13 H = 8.577(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.0395e-01 1.G13 HA3 = 3.694(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.7769e-01 1.G13 N = 107.415(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6010e-01 1.V14 C = 178.690(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.0614e-01 1.V14 CA = 66.325(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7995e-01 1.V14 CB = 31.272(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.1534e-01 1.V14 CG1 = 21.416(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.5661e-01 1.V14 CG2 = 23.127(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.3139e-01 1.V14 H = 8.796(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.5011e-01 1.V14 HA = 3.691(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.8960e-01 1.V14 HB = 2.202(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.8784e-01 1.V14 HG11 = 0.967(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.9825e-01 1.V14 HG12 = 0.967(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.9825e-01 1.V14 HG13 = 0.967(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.9825e-01 1.V14 HG21 = 1.117(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.5757e-01 1.V14 HG22 = 1.117(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.5757e-01 1.V14 HG23 = 1.117(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.5757e-01 1.V14 N = 119.290(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.8365e-01 1.S15 C = 175.114(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.7395e-01 1.S15 CA = 63.651(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.7213e-02 1.S15 CB = 62.533(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.9195e-01 1.S15 H = 8.338(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.2169e-01 1.S15 HA = 4.132(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.8430e-01 1.S15 HB2 = 3.663(D), Expected = 3.88, Std = 0.2500, ChiSquare = 3.8539e-01 1.S15 N = 120.083(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.7997e-01 1.V16 C = 177.260(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.8805e-01 1.V16 CA = 66.832(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2897e-01 1.V16 CB = 31.106(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.6427e-01 1.V16 CG1 = 20.993(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.1478e-01 1.V16 CG2 = 22.802(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.2293e-01 1.V16 H = 8.416(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.5083e-01 1.V16 HA = 3.530(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.5515e-01 1.V16 HB = 2.188(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.1569e-01 1.V16 HG11 = 0.907(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.6711e-01 1.V16 HG12 = 0.907(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.6711e-01 1.V16 HG13 = 0.907(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.6711e-01 1.V16 HG21 = 1.078(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.2078e-01 1.V16 HG22 = 1.078(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.2078e-01 1.V16 HG23 = 1.078(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.2078e-01 1.V16 N = 120.985(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7276e-01 1.L17 C = 178.130(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.6478e-01 1.L17 CA = 57.999(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.6404e-01 1.L17 CB = 41.465(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.5309e-01 1.L17 CG = 26.679(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.2684e-01 1.L17 CD1 = 23.610(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.8511e-01 1.L17 CD2 = 24.205(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.2735e-01 1.L17 H = 8.215(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8159e-01 1.L17 HA = 4.009(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.0816e-01 1.L17 HB2 = 1.785(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.0676e-01 1.L17 HB3 = 1.676(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.6477e-01 1.L17 HG = 1.789(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.9786e-01 1.L17 HD11 = 0.831(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7236e-01 1.L17 HD12 = 0.831(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7236e-01 1.L17 HD13 = 0.831(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7236e-01 1.L17 HD21 = 0.903(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5081e-01 1.L17 HD22 = 0.903(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5081e-01 1.L17 HD23 = 0.903(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5081e-01 1.L17 N = 118.178(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.4512e-01 1.S18 C = 175.222(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.2634e-01 1.S18 CA = 63.618(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.7973e-02 1.S18 CB = 62.605(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.1942e-01 1.S18 H = 8.339(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.2034e-01 1.S18 HA = 4.095(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.3580e-01 1.S18 HB2 = 3.692(D), Expected = 3.88, Std = 0.2500, ChiSquare = 4.5205e-01 1.S18 HB3 = 3.475(D), Expected = 3.85, Std = 0.2700, ChiSquare = 1.6487e-01 1.S18 N = 114.471(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.0731e-01 1.V19 C = 178.410(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.4199e-01 1.V19 CA = 66.456(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6553e-01 1.V19 CB = 30.974(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.2659e-01 1.V19 CG1 = 21.263(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.6744e-01 1.V19 CG2 = 22.826(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.1545e-01 1.V19 H = 7.895(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.5549e-01 1.V19 HA = 3.551(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.7058e-01 1.V19 HB = 2.195(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.0166e-01 1.V19 HG11 = 0.888(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2348e-01 1.V19 HG12 = 0.888(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2348e-01 1.V19 HG13 = 0.888(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2348e-01 1.V19 HG21 = 1.062(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.4942e-01 1.V19 HG22 = 1.062(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.4942e-01 1.V19 HG23 = 1.062(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.4942e-01 1.V19 N = 120.464(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.8163e-01 1.L20 C = 177.738(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.0560e-01 1.L20 CA = 58.429(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8724e-01 1.L20 CB = 41.373(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.1820e-01 1.L20 CG = 26.495(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.9556e-01 1.L20 CD1 = 24.290(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.8682e-01 1.L20 CD2 = 23.391(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.9828e-01 1.L20 H = 8.227(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9632e-01 1.L20 HA = 4.019(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.2190e-01 1.L20 HB2 = 1.924(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.5573e-01 1.L20 HB3 = 1.725(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.6905e-01 1.L20 HG = 1.732(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.0112e-01 1.L20 HD11 = 0.881(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3989e-01 1.L20 HD12 = 0.881(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3989e-01 1.L20 HD13 = 0.881(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3989e-01 1.L20 HD21 = 0.838(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0958e-01 1.L20 HD22 = 0.838(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0958e-01 1.L20 HD23 = 0.838(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0958e-01 1.L20 N = 121.937(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.8425e-01 1.V21 C = 177.229(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.9708e-01 1.V21 CA = 67.292(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.3148e-02 1.V21 CB = 31.052(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.4854e-01 1.V21 CG1 = 21.159(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.0771e-01 1.V21 CG2 = 22.935(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.8295e-01 1.V21 H = 8.490(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6532e-01 1.V21 HA = 3.486(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.2483e-01 1.V21 HB = 2.201(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.8980e-01 1.V21 HG11 = 0.888(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2348e-01 1.V21 HG12 = 0.888(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2348e-01 1.V21 HG13 = 0.888(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2348e-01 1.V21 HG21 = 1.058(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.5683e-01 1.V21 HG22 = 1.058(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.5683e-01 1.V21 HG23 = 1.058(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.5683e-01 1.V21 N = 117.556(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.2986e-01 1.V22 C = 176.886(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.0521e-01 1.V22 CA = 66.885(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2436e-01 1.V22 CB = 30.994(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.3213e-01 1.V22 CG1 = 21.209(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.3631e-01 1.V22 CG2 = 23.071(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.4568e-01 1.V22 H = 8.291(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.9881e-01 1.V22 HA = 3.498(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.3283e-01 1.V22 HB = 2.146(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.0393e-01 1.V22 HG11 = 0.914(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.4664e-01 1.V22 HG12 = 0.914(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.4664e-01 1.V22 HG13 = 0.914(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.4664e-01 1.V22 HG21 = 1.055(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.6245e-01 1.V22 HG22 = 1.055(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.6245e-01 1.V22 HG23 = 1.055(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.6245e-01 1.V22 N = 117.097(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.7318e-01 1.S23 C = 174.880(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.7985e-01 1.S23 CA = 63.519(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.0430e-02 1.S23 CB = 62.822(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.0873e-01 1.S23 H = 8.112(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.7584e-01 1.S23 HA = 4.071(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.0654e-01 1.S23 HB2 = 3.597(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.5763e-01 1.S23 N = 115.347(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.9097e-01 1.V24 C = 177.337(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.6616e-01 1.V24 CA = 66.686(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4234e-01 1.V24 CB = 31.187(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.8868e-01 1.V24 CG1 = 21.258(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.6455e-01 1.V24 CG2 = 23.048(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.5173e-01 1.V24 H = 8.002(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.6730e-01 1.V24 HA = 3.594(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.0414e-01 1.V24 HB = 2.266(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.7146e-01 1.V24 HG11 = 0.929(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0337e-01 1.V24 HG12 = 0.929(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0337e-01 1.V24 HG13 = 0.929(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0337e-01 1.V24 HG21 = 1.077(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.2252e-01 1.V24 HG22 = 1.077(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.2252e-01 1.V24 HG23 = 1.077(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.2252e-01 1.V24 N = 120.096(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1813e-01 1.V25 C = 176.863(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.1298e-01 1.V25 CA = 67.319(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1323e-02 1.V25 CB = 30.907(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.0847e-01 1.V25 CG1 = 21.490(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.0000e+00 1.V25 CG2 = 23.176(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.1937e-01 1.V25 H = 8.232(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.3102e-01 1.V25 HA = 3.500(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.3418e-01 1.V25 HB = 2.232(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.3099e-01 1.V25 HG11 = 0.913(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.4955e-01 1.V25 HG12 = 0.913(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.4955e-01 1.V25 HG13 = 0.913(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.4955e-01 1.V25 HG21 = 1.041(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.8940e-01 1.V25 HG22 = 1.041(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.8940e-01 1.V25 HG23 = 1.041(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.8940e-01 1.V25 N = 118.473(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.5690e-01 1.A26 C = 178.690(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.5559e-01 1.A26 CA = 55.684(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.9885e-01 1.A26 CB = 17.954(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.6391e-01 1.A26 H = 8.683(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.2082e-01 1.A26 HA = 3.962(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.9823e-01 1.A26 HB1 = 1.530(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8874e-01 1.A26 HB2 = 1.530(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8874e-01 1.A26 HB3 = 1.530(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8874e-01 1.A26 N = 120.583(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5462e-01 1.V27 C = 177.547(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.1048e-01 1.V27 CA = 66.625(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4823e-01 1.V27 CB = 31.109(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.6515e-01 1.V27 CG1 = 21.483(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.9589e-01 1.V27 CG2 = 23.042(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.5333e-01 1.V27 H = 7.966(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.2868e-01 1.V27 HA = 3.757(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.5533e-01 1.V27 HB = 2.301(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.1580e-01 1.V27 HG11 = 1.053(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.9106e-01 1.V27 HG12 = 1.053(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.9106e-01 1.V27 HG13 = 1.053(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.9106e-01 1.V27 HG21 = 1.160(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9854e-01 1.V27 HG22 = 1.160(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9854e-01 1.V27 HG23 = 1.160(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9854e-01 1.V27 N = 115.937(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.5178e-01 1.L28 C = 178.768(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.6920e-01 1.L28 CA = 58.286(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1070e-01 1.L28 CB = 41.579(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.9740e-01 1.L28 CG = 26.361(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.0327e-01 1.L28 CD1 = 25.681(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.4558e-01 1.L28 CD2 = 22.993(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.3410e-01 1.L28 H = 8.232(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9754e-01 1.L28 HA = 4.130(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.8602e-01 1.L28 HB2 = 2.150(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.1223e-01 1.L28 HB3 = 1.504(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.6455e-01 1.L28 HG = 2.054(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.9253e-02 1.L28 HD11 = 0.882(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3733e-01 1.L28 HD12 = 0.882(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3733e-01 1.L28 HD13 = 0.882(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3733e-01 1.L28 HD21 = 0.926(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.9913e-01 1.L28 HD22 = 0.926(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.9913e-01 1.L28 HD23 = 0.926(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.9913e-01 1.L28 N = 119.236(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0106e-01 1.V29 C = 176.980(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.7412e-01 1.V29 CA = 66.913(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2198e-01 1.V29 CB = 30.856(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.9513e-01 1.V29 CG1 = 21.819(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.0885e-01 1.V29 CG2 = 23.280(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.9536e-01 1.V29 H = 8.833(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.1768e-01 1.V29 HA = 3.694(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.9246e-01 1.V29 HB = 2.299(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.1883e-01 1.V29 HG11 = 1.022(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.6023e-01 1.V29 HG12 = 1.022(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.6023e-01 1.V29 HG13 = 1.022(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.6023e-01 1.V29 HG21 = 1.102(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.8078e-01 1.V29 HG22 = 1.102(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.8078e-01 1.V29 HG23 = 1.102(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.8078e-01 1.V29 N = 118.474(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.5705e-01 1.Y30 C = 177.073(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.0051e-01 1.Y30 CA = 62.033(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.1995e-01 1.Y30 CB = 38.455(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.8882e-01 1.Y30 CD1 = 132.586(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.7504e-01 1.Y30 CE1 = 117.920(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.9330e-01 1.Y30 H = 8.451(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.5758e-01 1.Y30 HA = 4.209(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.5218e-01 1.Y30 HB2 = 3.391(D), Expected = 2.91, Std = 0.3700, ChiSquare = 1.9360e-01 1.Y30 HB3 = 3.124(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.6649e-01 1.Y30 HD1 = 7.021(D), Expected = 6.93, Std = 0.3000, ChiSquare = 7.6164e-01 1.Y30 HD2 = 7.021(D), Expected = 6.93, Std = 0.3000, ChiSquare = 7.6164e-01 1.Y30 HE1 = 6.796(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.7639e-01 1.Y30 HE2 = 6.796(D), Expected = 6.71, Std = 0.2300, ChiSquare = 7.0847e-01 1.Y30 N = 119.971(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.9600e-01 1.K31 C = 179.219(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.9722e-01 1.K31 CA = 58.892(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.7738e-01 1.K31 CB = 32.085(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.9206e-01 1.K31 CG = 24.823(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.5272e-01 1.K31 CD = 28.702(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.1119e-01 1.K31 CE = 41.531(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.6153e-01 1.K31 H = 8.736(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.6282e-01 1.K31 HA = 4.036(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.9485e-01 1.K31 HB2 = 2.033(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.1154e-01 1.K31 HB3 = 2.033(D), Expected = 1.74, Std = 0.2700, ChiSquare = 2.7784e-01 1.K31 HG2 = 1.254(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.5549e-01 1.K31 HG3 = 1.254(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.3171e-01 1.K31 HD2 = 1.709(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.5271e-01 1.K31 HD3 = 1.709(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.2028e-01 1.K31 HE2 = 2.976(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.6819e-01 1.K31 HE3 = 2.976(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.4140e-01 1.K31 N = 117.027(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.8592e-01 1.F32 C = 176.339(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.4422e-01 1.F32 CA = 66.887(S), Expected = 58.08, Std = 2.5700, ChiSquare = 6.1063e-04 1.F32 CB = 38.976(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.2756e-01 1.F32 CD1 = 131.469(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.2506e-01 1.F32 CE1 = 130.469(D), Expected = 130.71, Std = 1.3000, ChiSquare = 8.5293e-01 1.F32 H = 8.580(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.5994e-01 1.F32 HA = 4.611(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.7341e-01 1.F32 HB2 = 3.169(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.4785e-01 1.F32 HB3 = 3.347(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.9718e-01 1.F32 HD1 = 7.174(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.1307e-01 1.F32 HD2 = 7.174(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.1307e-01 1.F32 HE1 = 7.209(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.7732e-01 1.F32 HE2 = 7.209(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.8686e-01 1.F32 N = 118.393(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.2264e-01 1.Y33 C = 176.358(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.3023e-01 1.Y33 CA = 61.921(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.3095e-01 1.Y33 CB = 38.448(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.8643e-01 1.Y33 CD1 = 132.335(D), Expected = 132.77, Std = 1.1700, ChiSquare = 7.1005e-01 1.Y33 CE1 = 117.849(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.4573e-01 1.Y33 H = 8.477(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.2971e-01 1.Y33 HA = 4.022(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.7761e-01 1.Y33 HB2 = 3.401(D), Expected = 2.91, Std = 0.3700, ChiSquare = 1.8450e-01 1.Y33 HB3 = 3.097(D), Expected = 2.84, Std = 0.3900, ChiSquare = 5.0991e-01 1.Y33 HD1 = 6.681(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.0654e-01 1.Y33 HD2 = 6.681(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.0654e-01 1.Y33 HE1 = 6.647(D), Expected = 6.70, Std = 0.2300, ChiSquare = 8.1775e-01 1.Y33 HE2 = 6.647(D), Expected = 6.71, Std = 0.2300, ChiSquare = 7.8415e-01 1.Y33 N = 120.161(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.3188e-01 1.F34 C = 177.415(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.1610e-01 1.F34 CA = 61.438(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.9134e-01 1.F34 CB = 38.287(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.1517e-01 1.F34 CD1 = 131.642(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.5810e-01 1.F34 CE1 = 131.533(D), Expected = 130.71, Std = 1.3000, ChiSquare = 5.2668e-01 1.F34 H = 8.376(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.8227e-01 1.F34 HA = 3.942(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.2743e-01 1.F34 HB2 = 3.050(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.9251e-01 1.F34 HB3 = 2.884(D), Expected = 2.93, Std = 0.4000, ChiSquare = 9.0845e-01 1.F34 HD1 = 7.096(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.0755e-01 1.F34 HD2 = 7.096(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.0755e-01 1.F34 HE1 = 7.260(D), Expected = 7.08, Std = 0.3100, ChiSquare = 5.6148e-01 1.F34 HE2 = 7.260(D), Expected = 7.08, Std = 0.3200, ChiSquare = 5.7378e-01 1.F34 N = 117.447(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.7250e-01 1.H35 C = 176.684(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.6666e-01 1.H35 CA = 58.773(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.2940e-01 1.H35 CB = 28.266(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.4027e-01 1.H35 CD2 = 119.278(D), Expected = 120.49, Std = 3.4200, ChiSquare = 7.2305e-01 1.H35 CE1 = 138.045(D), Expected = 137.71, Std = 2.1200, ChiSquare = 8.7444e-01 1.H35 H = 8.079(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.1284e-01 1.H35 HA = 4.282(D), Expected = 4.61, Std = 0.4300, ChiSquare = 4.4559e-01 1.H35 HB2 = 3.304(D), Expected = 3.10, Std = 0.3600, ChiSquare = 5.7094e-01 1.H35 HB3 = 3.350(D), Expected = 3.04, Std = 0.3800, ChiSquare = 4.1462e-01 1.H35 HD2 = 7.143(D), Expected = 7.00, Std = 0.4300, ChiSquare = 7.3947e-01 1.H35 HE1 = 8.402(D), Expected = 7.95, Std = 0.4800, ChiSquare = 3.4636e-01 1.H35 N = 116.966(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.9587e-01 1.L36 C = 178.255(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.2290e-01 1.L36 CA = 57.373(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.1051e-01 1.L36 CB = 41.237(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.6817e-01 1.L36 CG = 26.534(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.2304e-01 1.L36 CD1 = 24.989(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.6565e-01 1.L36 CD2 = 23.395(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.0002e-01 1.L36 H = 8.182(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4113e-01 1.L36 HA = 3.940(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.1880e-01 1.L36 HB2 = 1.637(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.3671e-01 1.L36 HB3 = 1.426(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.9401e-01 1.L36 HG = 1.568(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.6048e-01 1.L36 HD11 = 0.791(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.8358e-01 1.L36 HD12 = 0.791(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.8358e-01 1.L36 HD13 = 0.791(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.8358e-01 1.L36 HD21 = 0.791(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3340e-01 1.L36 HD22 = 0.791(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3340e-01 1.L36 HD23 = 0.791(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3340e-01 1.L36 N = 119.654(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7164e-01 1.M37 C = 178.610(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.4496e-01 1.M37 CA = 57.149(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.4127e-01 1.M37 CG = 32.063(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.6591e-01 1.M37 CE = 17.076(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.9697e-01 1.M37 H = 8.012(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.7936e-01 1.M37 HA = 4.129(D), Expected = 4.41, Std = 0.4800, ChiSquare = 5.5827e-01 1.M37 HB2 = 1.884(D), Expected = 2.03, Std = 0.3400, ChiSquare = 6.6762e-01 1.M37 HB3 = 1.948(D), Expected = 1.99, Std = 0.3400, ChiSquare = 9.0169e-01 1.M37 HG2 = 2.299(D), Expected = 2.42, Std = 0.3500, ChiSquare = 7.2956e-01 1.M37 HG3 = 2.117(D), Expected = 2.39, Std = 0.3800, ChiSquare = 4.7250e-01 1.M37 HE1 = 1.922(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.4454e-01 1.M37 HE2 = 1.922(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.4454e-01 1.M37 HE3 = 1.922(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.4454e-01 1.M37 N = 117.262(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.2827e-01 1.L38 C = 179.577(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.9136e-01 1.L38 CA = 57.195(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.5964e-01 1.L38 CB = 41.482(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.5963e-01 1.L38 CG = 26.459(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.7043e-01 1.L38 CD1 = 23.457(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.2700e-01 1.L38 CD2 = 24.723(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.9219e-01 1.L38 H = 7.717(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.2998e-01 1.L38 HA = 4.107(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.5041e-01 1.L38 HB2 = 1.699(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.9350e-01 1.L38 HB3 = 1.531(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.7562e-01 1.L38 HG = 1.526(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.6133e-01 1.L38 HD11 = 0.818(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.0812e-01 1.L38 HD12 = 0.818(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.0812e-01 1.L38 HD13 = 0.818(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.0812e-01 1.L38 HD21 = 0.833(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2246e-01 1.L38 HD22 = 0.833(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2246e-01 1.L38 HD23 = 0.833(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2246e-01 1.L38 N = 120.777(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8125e-01 1.L39 C = 178.119(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.6854e-01 1.L39 CA = 56.759(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.9283e-01 1.L39 CB = 41.634(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.1917e-01 1.L39 CG = 26.691(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.3551e-01 1.L39 CD1 = 24.694(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.8695e-01 1.L39 CD2 = 23.431(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.1577e-01 1.L39 H = 7.847(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.5571e-01 1.L39 HA = 4.121(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7200e-01 1.L39 HB2 = 1.809(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.5835e-01 1.L39 HB3 = 1.615(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.9187e-01 1.L39 HG = 1.655(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.6038e-01 1.L39 HD11 = 0.864(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8390e-01 1.L39 HD12 = 0.864(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8390e-01 1.L39 HD13 = 0.864(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8390e-01 1.L39 HD21 = 0.864(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.4403e-01 1.L39 HD22 = 0.864(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.4403e-01 1.L39 HD23 = 0.864(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.4403e-01 1.L39 N = 120.140(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5919e-01 1.A40 C = 178.488(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.2546e-01 1.A40 CA = 53.600(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1629e-01 1.A40 CB = 18.428(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.5046e-01 1.A40 H = 8.104(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7288e-01 1.A40 HA = 4.126(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.6071e-01 1.A40 HB1 = 1.479(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1979e-01 1.A40 HB2 = 1.479(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1979e-01 1.A40 HB3 = 1.479(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1979e-01 1.A40 N = 120.062(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.7083e-01 1.G41 C = 175.068(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.2397e-01 1.G41 CA = 45.873(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.9632e-01 1.G41 H = 7.975(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.8496e-01 1.G41 HA2 = 3.986(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6551e-01 1.G41 N = 104.964(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.2398e-01 1.C42 C = 175.610(D), Expected = 174.95, Std = 2.0700, ChiSquare = 7.4985e-01 1.C42 CA = 59.892(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.3259e-01 1.C42 CB = 27.625(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.1824e-01 1.C42 H = 7.953(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.1425e-01 1.C42 HA = 4.419(D), Expected = 4.66, Std = 0.5500, ChiSquare = 6.6125e-01 1.C42 HB2 = 3.008(D), Expected = 2.96, Std = 0.4400, ChiSquare = 9.1313e-01 1.C42 HB3 = 3.008(D), Expected = 2.89, Std = 0.4600, ChiSquare = 7.9755e-01 1.C42 N = 117.721(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.9764e-01 1.I43 C = 176.125(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.8611e-01 1.I43 CA = 61.458(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.5477e-01 1.I43 CB = 38.291(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.6672e-01 1.I43 CG1 = 27.282(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.9891e-01 1.I43 CG2 = 17.268(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.4724e-01 1.I43 CD1 = 12.882(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.4280e-01 1.I43 H = 7.722(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.1188e-01 1.I43 HA = 4.094(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.7795e-01 1.I43 HB = 1.874(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.4583e-01 1.I43 HG12 = 1.515(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.5687e-01 1.I43 HG13 = 1.156(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.3391e-01 1.I43 HG21 = 0.849(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6983e-01 1.I43 HG22 = 0.849(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6983e-01 1.I43 HG23 = 0.849(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6983e-01 1.I43 HD11 = 0.819(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.3172e-01 1.I43 HD12 = 0.819(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.3172e-01 1.I43 HD13 = 0.819(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.3172e-01 1.I43 N = 119.501(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4716e-01 1.K44 C = 176.865(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.1043e-01 1.K44 CA = 56.353(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.8611e-01 1.K44 CB = 32.748(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.8118e-01 1.K44 CG = 24.423(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.7941e-01 1.K44 CD = 28.776(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.6472e-01 1.K44 CE = 41.883(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.9319e-01 1.K44 H = 8.078(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.5192e-01 1.K44 HA = 4.248(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.6012e-01 1.K44 HB2 = 1.692(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.2484e-01 1.K44 HB3 = 1.692(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.5890e-01 1.K44 HG2 = 1.327(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.6864e-01 1.K44 HG3 = 1.327(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.3453e-01 1.K44 HD2 = 1.617(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.7462e-01 1.K44 HD3 = 1.617(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.3841e-01 1.K44 HE2 = 2.955(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.5385e-01 1.K44 HE3 = 2.955(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.2198e-01 1.K44 N = 122.670(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.6741e-01 1.Y45 C = 176.257(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.6672e-01 1.Y45 CA = 57.819(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.0139e-01 1.Y45 CB = 38.699(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.7373e-01 1.Y45 CD1 = 132.974(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.6158e-01 1.Y45 CE1 = 118.018(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.4105e-01 1.Y45 H = 7.998(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.5914e-01 1.Y45 HA = 4.595(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.5016e-01 1.Y45 HB2 = 3.114(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.8139e-01 1.Y45 HB3 = 2.948(D), Expected = 2.84, Std = 0.3900, ChiSquare = 7.8184e-01 1.Y45 HD1 = 7.158(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.4725e-01 1.Y45 HD2 = 7.158(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.4725e-01 1.Y45 HE1 = 6.845(D), Expected = 6.70, Std = 0.2300, ChiSquare = 5.2841e-01 1.Y45 HE2 = 6.845(D), Expected = 6.71, Std = 0.2300, ChiSquare = 5.5723e-01 1.Y45 N = 119.675(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.4055e-01 1.G46 C = 173.419(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.1041e-01 1.G46 CA = 45.192(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0614e-01 1.G46 H = 8.174(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1033e-01 1.G46 HA2 = 3.951(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.5905e-01 1.G46 N = 110.003(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.3143e-01 1.R47 C = 175.906(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.0392e-01 1.R47 CA = 55.624(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.1982e-01 1.R47 CB = 30.691(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.9608e-01 1.R47 CG = 26.808(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.3762e-01 1.R47 CD = 43.156(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.9637e-01 1.R47 H = 8.071(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.8174e-01 1.R47 HA = 4.412(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.0763e-01 1.R47 HB2 = 1.961(D), Expected = 1.79, Std = 0.2700, ChiSquare = 5.2652e-01 1.R47 HB3 = 1.783(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.3453e-01 1.R47 HG2 = 1.623(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.4438e-01 1.R47 HG3 = 1.623(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.7472e-01 1.R47 HD2 = 3.209(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.1076e-01 1.R47 HD3 = 3.209(D), Expected = 3.10, Std = 0.2600, ChiSquare = 6.7505e-01 1.R47 N = 120.033(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.3490e-01 1.G48 C = 176.133(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.2870e-01 1.G48 CA = 45.796(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.3926e-01 1.G48 H = 7.999(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.1059e-01 1.G48 HA2 = 3.789(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.2471e-01 1.G48 N = 115.735(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.1707e-01