Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.R1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.99 C Shift Assignments>> CA :: 54.078(D) CB :: 29.622(D) CG :: 25.751(D) CD :: 43.243(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 4.364(D) HB2 :: 1.920(D) HB3 :: 1.920(D) HG2 :: 1.636(D) HG3 :: 1.696(D) HD2 :: 3.196(D) HD3 :: 3.196(D) HE :: 7.208(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.P2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.965(D) CB :: 32.158(D) CG :: 27.384(D) CD :: 50.626(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.478(D) HB2 :: 1.831(D) HB3 :: 2.290(D) HG2 :: 1.984(D) HG3 :: 1.984(D) HD2 :: 3.571(D) HD3 :: 3.727(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.F3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.99 C Shift Assignments>> CA :: 57.647(D) CB :: 39.797(D) CD1 :: 131.650(D) CD2 :: 131.650(D) CE1 :: 131.553(D) CE2 :: 131.553(D) CZ :: 129.861(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 :: 8.631(D) HA :: 4.755(D) HB2 :: 2.981(D) HB3 :: 3.118(D) HD1 :: 7.181(D) HD2 :: 7.181(D) HE1 :: 7.317(D) HE2 :: 7.317(D) HZ :: 7.272(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) 1.T4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 61.009(D) CB :: 70.588(D) CG2 :: 21.512(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 :: 8.379(D) HA :: 4.368(D) HB :: 4.356(D) HG21 :: 1.227(D) HG22 :: 1.227(D) HG23 :: 1.227(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.R5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.99 C Shift Assignments>> CA :: 57.611(D) CB :: 30.312(D) CG :: 27.155(D) CD :: 43.257(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 :: 8.691(D) HA :: 4.155(D) HB2 :: 1.810(D) HB3 :: 1.848(D) HG2 :: 1.642(D) HG3 :: 1.686(D) HD2 :: 3.169(D) HD3 :: 3.169(D) HE :: 7.247(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.A6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> A 0.73 M 0.26 C Shift Assignments>> CA :: 53.715(D) CB :: 18.665(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.536(D) HA :: 4.238(D) HB1 :: 1.376(D) HB2 :: 1.376(D) HB3 :: 1.376(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.Q7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> Q 0.78 M 0.09 R 0.08 I 0.02 C Shift Assignments>> CA :: 57.055(D) CB :: 29.133(D) CG :: 34.079(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 :: 8.211(D) HA :: 4.132(D) HB2 :: 1.855(D) HB3 :: 2.084(D) HG2 :: 2.284(D) HG3 :: 2.284(D) HE21 :: 6.946(D) HE22 :: 7.606(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) 1.W8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> W 0.99 C Shift Assignments>> CA :: 58.473(D) CB :: 29.625(D) CD1 :: 127.214(D) CE3 :: 120.723(D) CZ2 :: 114.701(D) CZ3 :: 122.066(D) CH2 :: 124.695(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.369(D) HA :: 4.438(D) HB2 :: 3.235(D) HB3 :: 3.235(D) HD1 :: 7.073(D) HE1 :: 10.157(D) HE3 :: 7.389(D) HZ2 :: 7.445(D) HZ3 :: 7.078(D) HH2 :: 7.207(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) 1.F9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.99 C Shift Assignments>> CA :: 58.981(D) CB :: 39.582(D) CD1 :: 131.967(D) CD2 :: 131.967(D) CE1 :: 131.439(D) CE2 :: 131.439(D) CZ :: 129.856(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 :: 8.113(D) HA :: 4.272(D) HB2 :: 2.964(D) HB3 :: 3.060(D) HD1 :: 7.208(D) HD2 :: 7.208(D) HE1 :: 7.300(D) HE2 :: 7.300(D) HZ :: 7.222(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) 1.A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> A 0.78 M 0.21 C Shift Assignments>> CA :: 53.296(D) CB :: 18.688(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.951(D) HA :: 4.130(D) HB1 :: 1.408(D) HB2 :: 1.408(D) HB3 :: 1.408(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 61.957(D) CB :: 38.620(D) CG1 :: 27.926(D) CG2 :: 17.316(D) CD1 :: 13.160(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 :: 7.893(D) HA :: 3.969(D) HB :: 1.784(D) HG12 :: 1.149(D) HG13 :: 1.442(D) HG21 :: 0.802(D) HG22 :: 0.802(D) HG23 :: 0.802(D) HD11 :: 0.737(D) HD12 :: 0.737(D) HD13 :: 0.737(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.Q12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> Q 0.71 M 0.16 R 0.11 C Shift Assignments>> CA :: 55.839(D) CB :: 29.213(D) CG :: 33.509(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 :: 8.115(D) HA :: 4.111(D) HB2 :: 1.785(D) HB3 :: 1.886(D) HG2 :: 2.093(D) HG3 :: 2.093(D) HE21 :: 6.786(D) HE22 :: 7.175(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) 1.H13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> W 0.5 H 0.49 C Shift Assignments>> CA :: 55.611(D) CB :: 28.666(D) CD2 :: 120.051(D) CE1 :: 136.198(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 :: 8.366(D) HA :: 4.601(D) HB2 :: 3.016(D) HB3 :: 3.208(D) HD2 :: 7.154(D) HE1 :: 8.431(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.I14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 60.861(D) CB :: 38.834(D) CG1 :: 27.316(D) CG2 :: 17.377(D) CD1 :: 12.779(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 :: 8.213(D) HA :: 4.178(D) HB :: 1.796(D) HG12 :: 1.141(D) HG13 :: 1.453(D) HG21 :: 0.876(D) HG22 :: 0.876(D) HG23 :: 0.876(D) HD11 :: 0.834(D) HD12 :: 0.834(D) HD13 :: 0.834(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.S15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 56.370 CB :: 63.227(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.697(D) HA :: 4.750(D) HB2 :: 3.890(D) HB3 :: 3.890(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.P16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.564(D) CB :: 32.154(D) CG :: 27.466(D) CD :: 50.904(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.404(D) HB2 :: 1.927(D) HB3 :: 2.312(D) HG2 :: 2.039(D) HG3 :: 2.039(D) HD2 :: 3.772(D) HD3 :: 3.885(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.R17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.99 C Shift Assignments>> CA :: 56.591(D) CB :: 30.625(D) CG :: 27.196(D) CD :: 43.214(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 :: 8.498(D) HA :: 4.331(D) HB2 :: 1.783(D) HB3 :: 1.839(D) HG2 :: 1.638(D) HG3 :: 1.678(D) HD2 :: 3.200(D) HD3 :: 3.200(D) HE :: 7.239(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.T18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 62.522(D) CB :: 69.718(D) CG2 :: 21.731(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 :: 8.230(D) HA :: 4.277(D) HB :: 4.199(D) HG21 :: 1.200(D) HG22 :: 1.200(D) HG23 :: 1.200(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) 1.I19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 61.721(D) CB :: 38.716(D) CG1 :: 27.553(D) CG2 :: 17.316(D) CD1 :: 12.867(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 :: 8.311(D) HA :: 4.048(D) HB :: 1.851(D) HG12 :: 1.179(D) HG13 :: 1.491(D) HG21 :: 0.913(D) HG22 :: 0.913(D) HG23 :: 0.913(D) HD11 :: 0.854(D) HD12 :: 0.854(D) HD13 :: 0.854(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.A20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> A 0.84 M 0.15 C Shift Assignments>> CA :: 52.849(D) CB :: 18.897(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.425(D) HA :: 4.271(D) HB1 :: 1.384(D) HB2 :: 1.384(D) HB3 :: 1.384(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.M21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> M 0.82 A 0.17 C Shift Assignments>> CA :: 55.786(D) CB :: 32.862(D) CG :: 31.974(D) CE :: 16.909(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 :: 8.373(D) HA :: 4.396(D) HB2 :: 2.040(D) HB3 :: 2.063(D) HG2 :: 2.556(D) HG3 :: 2.630(D) HE1 :: 2.090(D) HE2 :: 2.090(D) HE3 :: 2.090(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.R22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.99 C Shift Assignments>> CA :: 56.379(D) CB :: 30.765(D) CG :: 27.183(D) CD :: 43.398(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 :: 8.348(D) HA :: 4.265(D) HB2 :: 1.771(D) HB3 :: 1.835(D) HG2 :: 1.625(D) HG3 :: 1.675(D) HD2 :: 3.157(D) HD3 :: 3.157(D) HE :: 7.218(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.A23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> A 0.88 M 0.11 C Shift Assignments>> CA :: 52.595(D) CB :: 19.084(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.363(D) HA :: 4.300(D) HB1 :: 1.386(D) HB2 :: 1.386(D) HB3 :: 1.386(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.I24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 61.375(D) CB :: 38.716(D) CG1 :: 27.425(D) CG2 :: 17.466(D) CD1 :: 13.001(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 :: 8.208(D) HA :: 4.092(D) HB :: 1.852(D) HG12 :: 1.179(D) HG13 :: 1.478(D) HG21 :: 0.893(D) HG22 :: 0.893(D) HG23 :: 0.893(D) HD11 :: 0.862(D) HD12 :: 0.862(D) HD13 :: 0.862(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.N25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> N 0.76 Y 0.1 F 0.1 M 0.01 C Shift Assignments>> CA :: 53.150(D) CB :: 38.809(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.538(D) HA :: 4.660(D) HB2 :: 2.703(D) HB3 :: 2.749(D) HD21 :: 6.991(D) HD22 :: 7.674(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) 1.N26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> N 0.77 Y 0.1 F 0.1 M 0.01 C Shift Assignments>> CA :: 53.150(D) CB :: 38.666(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 :: 8.448(D) HA :: 4.662(D) HB2 :: 2.692(D) HB3 :: 2.756(D) HD21 :: 6.936(D) HD22 :: 7.639(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) 1.Y27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> Y 0.99 C Shift Assignments>> CA :: 58.656(D) CB :: 38.292(D) CD1 :: 133.222(D) CD2 :: 133.222(D) CE1 :: 118.273(D) CE2 :: 118.273(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 :: 8.220(D) HA :: 4.431(D) HB2 :: 2.942(D) HB3 :: 2.942(D) HD1 :: 7.056(D) HD2 :: 7.056(D) HE1 :: 6.809(D) HE2 :: 6.809(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) 1.R28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.99 C Shift Assignments>> CA :: 56.200(D) CB :: 30.535(D) CG :: 26.878(D) CD :: 43.226(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 :: 8.102(D) HA :: 4.159(D) HB2 :: 1.594(D) HB3 :: 1.633(D) HG2 :: 1.373(D) HG3 :: 1.373(D) HD2 :: 3.077(D) HD3 :: 3.077(D) HE :: 7.148(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.W29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> W 0.99 C Shift Assignments>> CA :: 57.516(D) CB :: 29.257(D) CD1 :: 127.392(D) CE3 :: 121.067(D) CZ2 :: 114.701(D) CZ3 :: 122.248(D) CH2 :: 124.914(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.113(D) HA :: 4.572(D) HB2 :: 3.279(D) HB3 :: 3.279(D) HD1 :: 7.276(D) HE1 :: 10.226(D) HE3 :: 7.626(D) HZ2 :: 7.461(D) HZ3 :: 7.157(D) HH2 :: 7.225(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) 1.R30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.99 C Shift Assignments>> CA :: 55.712(D) CB :: 30.740(D) CG :: 26.878(D) CD :: 43.217(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.992(D) HA :: 4.104(D) HB2 :: 1.530(D) HB3 :: 1.714(D) HG2 :: 1.375(D) HG3 :: 1.375(D) HD2 :: 3.054(D) HD3 :: 3.054(D) HE :: 7.122(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.NH231 Overall Status: Residue type NH2 not supported. ########################################################################### Overall Results: #Consistent: 0 #Clerical: 30 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 30 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 30 #Suspicious: 0 C Shift Results: #Consistent: 1 #Duplicate: 119 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 236 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R1 CA = 54.078(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.4387e-01 1.R1 CB = 29.622(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.5581e-01 1.R1 CG = 25.751(D), Expected = 27.21, Std = 1.2000, ChiSquare = 2.2405e-01 1.R1 CD = 43.243(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.2486e-01 1.R1 HA = 4.364(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.8935e-01 1.R1 HB2 = 1.920(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.3017e-01 1.R1 HB3 = 1.920(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.6771e-01 1.R1 HG2 = 1.636(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.0689e-01 1.R1 HG3 = 1.696(D), Expected = 1.54, Std = 0.2900, ChiSquare = 5.9062e-01 1.R1 HD2 = 3.196(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.5150e-01 1.R1 HD3 = 3.196(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.1196e-01 1.R1 HE = 7.208(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.6055e-01 1.P2 CA = 62.965(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.1023e-01 1.P2 CB = 32.158(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.9408e-01 1.P2 CG = 27.384(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.4435e-01 1.P2 CD = 50.626(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.5725e-01 1.P2 HA = 4.478(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.1315e-01 1.P2 HB2 = 1.831(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.7682e-01 1.P2 HB3 = 2.290(D), Expected = 2.00, Std = 0.3600, ChiSquare = 4.2050e-01 1.P2 HG2 = 1.984(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.6171e-01 1.P2 HG3 = 1.984(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.9907e-01 1.P2 HD2 = 3.571(D), Expected = 3.65, Std = 0.3500, ChiSquare = 8.2142e-01 1.P2 HD3 = 3.727(D), Expected = 3.61, Std = 0.3900, ChiSquare = 7.6418e-01 1.F3 CA = 57.647(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.6620e-01 1.F3 CB = 39.797(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.2642e-01 1.F3 CD1 = 131.650(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.5270e-01 1.F3 CD2 = 131.650(D), Expected = 131.63, Std = 1.1200, ChiSquare = 9.8575e-01 1.F3 CE1 = 131.553(D), Expected = 130.71, Std = 1.3000, ChiSquare = 5.1669e-01 1.F3 CE2 = 131.553(D), Expected = 130.76, Std = 1.1300, ChiSquare = 4.8282e-01 1.F3 CZ = 129.861(D), Expected = 129.21, Std = 1.4300, ChiSquare = 6.4893e-01 1.F3 H = 8.631(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.0663e-01 1.F3 HA = 4.755(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.2642e-01 1.F3 HB2 = 2.981(D), Expected = 3.00, Std = 0.3700, ChiSquare = 9.5905e-01 1.F3 HB3 = 3.118(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.3835e-01 1.F3 HD1 = 7.181(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.9630e-01 1.F3 HD2 = 7.181(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.9630e-01 1.F3 HE1 = 7.317(D), Expected = 7.08, Std = 0.3100, ChiSquare = 4.4456e-01 1.F3 HE2 = 7.317(D), Expected = 7.08, Std = 0.3200, ChiSquare = 4.5892e-01 1.F3 HZ = 7.272(D), Expected = 7.00, Std = 0.4200, ChiSquare = 5.1723e-01 1.T4 CA = 61.009(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.4009e-01 1.T4 CB = 70.588(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.9862e-01 1.T4 CG2 = 21.512(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.7269e-01 1.T4 H = 8.379(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.2261e-01 1.T4 HA = 4.368(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.4800e-01 1.T4 HB = 4.356(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.7300e-01 1.T4 HG21 = 1.227(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.0524e-01 1.T4 HG22 = 1.227(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.0524e-01 1.T4 HG23 = 1.227(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.0524e-01 1.R5 CA = 57.611(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.1581e-01 1.R5 CB = 30.312(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.3209e-01 1.R5 CG = 27.155(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.6344e-01 1.R5 CD = 43.257(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.1223e-01 1.R5 H = 8.691(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.5970e-01 1.R5 HA = 4.155(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.5260e-01 1.R5 HB2 = 1.810(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.4095e-01 1.R5 HB3 = 1.848(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.5330e-01 1.R5 HG2 = 1.642(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.8973e-01 1.R5 HG3 = 1.686(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.1465e-01 1.R5 HD2 = 3.169(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.3822e-01 1.R5 HD3 = 3.169(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.9071e-01 1.R5 HE = 7.247(D), Expected = 7.40, Std = 0.6300, ChiSquare = 8.0812e-01 1.A6 CA = 53.715(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.7151e-01 1.A6 CB = 18.665(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.5047e-01 1.A6 H = 8.536(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.7548e-01 1.A6 HA = 4.238(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.6012e-01 1.A6 HB1 = 1.376(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2034e-01 1.A6 HB2 = 1.376(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2034e-01 1.A6 HB3 = 1.376(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2034e-01 1.Q7 CA = 57.055(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2071e-01 1.Q7 CB = 29.133(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.7502e-01 1.Q7 CG = 34.079(D), Expected = 33.76, Std = 1.1100, ChiSquare = 7.7382e-01 1.Q7 H = 8.211(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.8783e-01 1.Q7 HA = 4.132(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.5380e-01 1.Q7 HB2 = 1.855(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.3539e-01 1.Q7 HB3 = 2.084(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.1920e-01 1.Q7 HG2 = 2.284(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.9393e-01 1.Q7 HG3 = 2.284(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.8349e-01 1.Q7 HE21 = 6.946(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.1354e-01 1.Q7 HE22 = 7.606(D), Expected = 7.02, Std = 0.4400, ChiSquare = 1.8292e-01 1.W8 CA = 58.473(D), Expected = 57.66, Std = 2.5800, ChiSquare = 7.5267e-01 1.W8 CB = 29.625(D), Expected = 30.01, Std = 2.0100, ChiSquare = 8.4810e-01 1.W8 CD1 = 127.214(D), Expected = 126.51, Std = 1.8300, ChiSquare = 7.0046e-01 1.W8 CE3 = 120.723(D), Expected = 120.43, Std = 1.7900, ChiSquare = 8.6998e-01 1.W8 CZ2 = 114.701(D), Expected = 114.26, Std = 1.1200, ChiSquare = 6.9377e-01 1.W8 CZ3 = 122.066(D), Expected = 121.35, Std = 1.5300, ChiSquare = 6.3980e-01 1.W8 CH2 = 124.695(D), Expected = 123.86, Std = 1.4200, ChiSquare = 5.5651e-01 1.W8 H = 8.369(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.2034e-01 1.W8 HA = 4.438(D), Expected = 4.68, Std = 0.5300, ChiSquare = 6.4796e-01 1.W8 HB2 = 3.235(D), Expected = 3.19, Std = 0.3500, ChiSquare = 8.9770e-01 1.W8 HB3 = 3.235(D), Expected = 3.12, Std = 0.3600, ChiSquare = 7.4939e-01 1.W8 HD1 = 7.073(D), Expected = 7.14, Std = 0.3600, ChiSquare = 8.5236e-01 1.W8 HE1 = 10.157(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.0712e-01 1.W8 HE3 = 7.389(D), Expected = 7.31, Std = 0.4100, ChiSquare = 8.4721e-01 1.W8 HZ2 = 7.445(D), Expected = 7.28, Std = 0.3300, ChiSquare = 6.1707e-01 1.W8 HZ3 = 7.078(D), Expected = 6.86, Std = 0.4000, ChiSquare = 5.8575e-01 1.W8 HH2 = 7.207(D), Expected = 6.98, Std = 0.3900, ChiSquare = 5.6053e-01 1.F9 CA = 58.981(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.2590e-01 1.F9 CB = 39.582(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.4522e-01 1.F9 CD1 = 131.967(D), Expected = 131.58, Std = 1.1800, ChiSquare = 7.4294e-01 1.F9 CD2 = 131.967(D), Expected = 131.63, Std = 1.1200, ChiSquare = 7.6350e-01 1.F9 CE1 = 131.439(D), Expected = 130.71, Std = 1.3000, ChiSquare = 5.7495e-01 1.F9 CE2 = 131.439(D), Expected = 130.76, Std = 1.1300, ChiSquare = 5.4792e-01 1.F9 CZ = 129.856(D), Expected = 129.21, Std = 1.4300, ChiSquare = 6.5145e-01 1.F9 H = 8.113(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.3156e-01 1.F9 HA = 4.272(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.2996e-01 1.F9 HB2 = 2.964(D), Expected = 3.00, Std = 0.3700, ChiSquare = 9.2249e-01 1.F9 HB3 = 3.060(D), Expected = 2.93, Std = 0.4000, ChiSquare = 7.4518e-01 1.F9 HD1 = 7.208(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.3306e-01 1.F9 HD2 = 7.208(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.3306e-01 1.F9 HE1 = 7.300(D), Expected = 7.08, Std = 0.3100, ChiSquare = 4.7790e-01 1.F9 HE2 = 7.300(D), Expected = 7.08, Std = 0.3200, ChiSquare = 4.9177e-01 1.F9 HZ = 7.222(D), Expected = 7.00, Std = 0.4200, ChiSquare = 5.9710e-01 1.A10 CA = 53.296(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.3720e-01 1.A10 CB = 18.688(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.6033e-01 1.A10 H = 7.951(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7814e-01 1.A10 HA = 4.130(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.6765e-01 1.A10 HB1 = 1.408(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2348e-01 1.A10 HB2 = 1.408(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2348e-01 1.A10 HB3 = 1.408(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2348e-01 1.I11 CA = 61.957(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.9698e-01 1.I11 CB = 38.620(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.9605e-01 1.I11 CG1 = 27.926(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.9770e-01 1.I11 CG2 = 17.316(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.7497e-01 1.I11 CD1 = 13.160(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.7156e-01 1.I11 H = 7.893(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.6928e-01 1.I11 HA = 3.969(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.0633e-01 1.I11 HB = 1.784(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.8900e-01 1.I11 HG12 = 1.149(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.4329e-01 1.I11 HG13 = 1.442(D), Expected = 1.19, Std = 0.4100, ChiSquare = 5.3880e-01 1.I11 HG21 = 0.802(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.0566e-01 1.I11 HG22 = 0.802(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.0566e-01 1.I11 HG23 = 0.802(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.0566e-01 1.I11 HD11 = 0.737(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.4418e-01 1.I11 HD12 = 0.737(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.4418e-01 1.I11 HD13 = 0.737(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.4418e-01 1.Q12 CA = 55.839(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3266e-01 1.Q12 CB = 29.213(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.8992e-01 1.Q12 CG = 33.509(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.2110e-01 1.Q12 H = 8.115(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5875e-01 1.Q12 HA = 4.111(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.1783e-01 1.Q12 HB2 = 1.785(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.8914e-01 1.Q12 HB3 = 1.886(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.3224e-01 1.Q12 HG2 = 2.093(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.0049e-01 1.Q12 HG3 = 2.093(D), Expected = 2.29, Std = 0.2900, ChiSquare = 4.9694e-01 1.Q12 HE21 = 6.786(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.1303e-01 1.Q12 HE22 = 7.175(D), Expected = 7.02, Std = 0.4400, ChiSquare = 7.2463e-01 1.H13 CA = 55.611(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.9395e-01 1.H13 CB = 28.666(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.4702e-01 1.H13 CD2 = 120.051(D), Expected = 120.49, Std = 3.4200, ChiSquare = 8.9786e-01 1.H13 CE1 = 136.198(D), Expected = 137.71, Std = 2.1200, ChiSquare = 4.7572e-01 1.H13 H = 8.366(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.5300e-01 1.H13 HA = 4.601(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.8330e-01 1.H13 HB2 = 3.016(D), Expected = 3.10, Std = 0.3600, ChiSquare = 8.1550e-01 1.H13 HB3 = 3.208(D), Expected = 3.04, Std = 0.3800, ChiSquare = 6.5841e-01 1.H13 HD2 = 7.154(D), Expected = 7.00, Std = 0.4300, ChiSquare = 7.2024e-01 1.H13 HE1 = 8.431(D), Expected = 7.95, Std = 0.4800, ChiSquare = 3.1630e-01 1.I14 CA = 60.861(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.7988e-01 1.I14 CB = 38.834(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.1956e-01 1.I14 CG1 = 27.316(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.1458e-01 1.I14 CG2 = 17.377(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.1043e-01 1.I14 CD1 = 12.779(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.9667e-01 1.I14 H = 8.213(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.2151e-01 1.I14 HA = 4.178(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.9715e-01 1.I14 HB = 1.796(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.5600e-01 1.I14 HG12 = 1.141(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.2822e-01 1.I14 HG13 = 1.453(D), Expected = 1.19, Std = 0.4100, ChiSquare = 5.2122e-01 1.I14 HG21 = 0.876(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.9462e-01 1.I14 HG22 = 0.876(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.9462e-01 1.I14 HG23 = 0.876(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.9462e-01 1.I14 HD11 = 0.834(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9539e-01 1.I14 HD12 = 0.834(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9539e-01 1.I14 HD13 = 0.834(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9539e-01 1.S15 CB = 63.227(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.9864e-01 1.S15 H = 8.697(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.7970e-01 1.S15 HA = 4.750(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.9968e-01 1.S15 HB2 = 3.890(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.6809e-01 1.S15 HB3 = 3.890(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.8223e-01 1.P16 CA = 63.564(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.7765e-01 1.P16 CB = 32.154(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.9669e-01 1.P16 CG = 27.466(D), Expected = 27.17, Std = 1.0900, ChiSquare = 7.8596e-01 1.P16 CD = 50.904(D), Expected = 50.32, Std = 0.9900, ChiSquare = 5.5526e-01 1.P16 HA = 4.404(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.9033e-01 1.P16 HB2 = 1.927(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.6201e-01 1.P16 HB3 = 2.312(D), Expected = 2.00, Std = 0.3600, ChiSquare = 3.8612e-01 1.P16 HG2 = 2.039(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.2513e-01 1.P16 HG3 = 2.039(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.7360e-01 1.P16 HD2 = 3.772(D), Expected = 3.65, Std = 0.3500, ChiSquare = 7.2741e-01 1.P16 HD3 = 3.885(D), Expected = 3.61, Std = 0.3900, ChiSquare = 4.8073e-01 1.R17 CA = 56.591(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.3823e-01 1.R17 CB = 30.625(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.6731e-01 1.R17 CG = 27.196(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.9069e-01 1.R17 CD = 43.214(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.5107e-01 1.R17 H = 8.498(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.7233e-01 1.R17 HA = 4.331(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.4627e-01 1.R17 HB2 = 1.783(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.7932e-01 1.R17 HB3 = 1.839(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.7783e-01 1.R17 HG2 = 1.638(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.0116e-01 1.R17 HG3 = 1.678(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.3417e-01 1.R17 HD2 = 3.200(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.3888e-01 1.R17 HD3 = 3.200(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.0052e-01 1.R17 HE = 7.239(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.9829e-01 1.T18 CA = 62.522(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0718e-01 1.T18 CB = 69.718(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.9413e-01 1.T18 CG2 = 21.731(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.7047e-01 1.T18 H = 8.230(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.8713e-01 1.T18 HA = 4.277(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.0302e-01 1.T18 HB = 4.199(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.2997e-01 1.T18 HG21 = 1.200(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.9419e-01 1.T18 HG22 = 1.200(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.9419e-01 1.T18 HG23 = 1.200(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.9419e-01 1.I19 CA = 61.721(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.6696e-01 1.I19 CB = 38.716(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6604e-01 1.I19 CG1 = 27.553(D), Expected = 27.71, Std = 1.6800, ChiSquare = 9.2554e-01 1.I19 CG2 = 17.316(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.7497e-01 1.I19 CD1 = 12.867(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.3602e-01 1.I19 H = 8.311(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.6364e-01 1.I19 HA = 4.048(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.1365e-01 1.I19 HB = 1.851(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.0659e-01 1.I19 HG12 = 1.179(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.0065e-01 1.I19 HG13 = 1.491(D), Expected = 1.19, Std = 0.4100, ChiSquare = 4.6286e-01 1.I19 HG21 = 0.913(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9637e-01 1.I19 HG22 = 0.913(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9637e-01 1.I19 HG23 = 0.913(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9637e-01 1.I19 HD11 = 0.854(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.4851e-01 1.I19 HD12 = 0.854(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.4851e-01 1.I19 HD13 = 0.854(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.4851e-01 1.A20 CA = 52.849(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.8316e-01 1.A20 CB = 18.897(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.5076e-01 1.A20 H = 8.425(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0766e-01 1.A20 HA = 4.271(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.8006e-01 1.A20 HB1 = 1.384(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9596e-01 1.A20 HB2 = 1.384(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9596e-01 1.A20 HB3 = 1.384(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9596e-01 1.M21 CA = 55.786(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.8448e-01 1.M21 CB = 32.862(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.5443e-01 1.M21 CG = 31.974(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.7684e-01 1.M21 CE = 16.909(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.1884e-01 1.M21 H = 8.373(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.5062e-01 1.M21 HA = 4.396(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.7673e-01 1.M21 HB2 = 2.040(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.7654e-01 1.M21 HB3 = 2.063(D), Expected = 1.99, Std = 0.3400, ChiSquare = 8.3000e-01 1.M21 HG2 = 2.556(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.9759e-01 1.M21 HG3 = 2.630(D), Expected = 2.39, Std = 0.3800, ChiSquare = 5.2766e-01 1.M21 HE1 = 2.090(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.6372e-01 1.M21 HE2 = 2.090(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.6372e-01 1.M21 HE3 = 2.090(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.6372e-01 1.R22 CA = 56.379(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.6559e-01 1.R22 CB = 30.765(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.7167e-01 1.R22 CG = 27.183(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.8205e-01 1.R22 CD = 43.398(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.8681e-01 1.R22 H = 8.348(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.5947e-01 1.R22 HA = 4.265(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.3935e-01 1.R22 HB2 = 1.771(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.4390e-01 1.R22 HB3 = 1.835(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.8881e-01 1.R22 HG2 = 1.625(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.3859e-01 1.R22 HG3 = 1.675(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.4156e-01 1.R22 HD2 = 3.157(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.7748e-01 1.R22 HD3 = 3.157(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.2647e-01 1.R22 HE = 7.218(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.7267e-01 1.A23 CA = 52.595(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8312e-01 1.A23 CB = 19.084(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.6774e-01 1.A23 H = 8.363(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8588e-01 1.A23 HA = 4.300(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.2757e-01 1.A23 HB1 = 1.386(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8988e-01 1.A23 HB2 = 1.386(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8988e-01 1.A23 HB3 = 1.386(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8988e-01 1.I24 CA = 61.375(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.3013e-01 1.I24 CB = 38.716(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6604e-01 1.I24 CG1 = 27.425(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.6529e-01 1.I24 CG2 = 17.466(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.6247e-01 1.I24 CD1 = 13.001(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.9727e-01 1.I24 H = 8.208(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.1568e-01 1.I24 HA = 4.092(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.7513e-01 1.I24 HB = 1.852(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.0392e-01 1.I24 HG12 = 1.179(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.0065e-01 1.I24 HG13 = 1.478(D), Expected = 1.19, Std = 0.4100, ChiSquare = 4.8241e-01 1.I24 HG21 = 0.893(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.4871e-01 1.I24 HG22 = 0.893(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.4871e-01 1.I24 HG23 = 0.893(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.4871e-01 1.I24 HD11 = 0.862(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3028e-01 1.I24 HD12 = 0.862(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3028e-01 1.I24 HD13 = 0.862(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3028e-01 1.N25 CA = 53.150(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.3566e-01 1.N25 CB = 38.809(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.4386e-01 1.N25 H = 8.538(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.5330e-01 1.N25 HA = 4.660(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.7784e-01 1.N25 HB2 = 2.703(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.2997e-01 1.N25 HB3 = 2.749(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.9758e-01 1.N25 HD21 = 6.991(D), Expected = 7.35, Std = 0.4800, ChiSquare = 4.5451e-01 1.N25 HD22 = 7.674(D), Expected = 7.14, Std = 0.4900, ChiSquare = 2.7580e-01 1.N26 CA = 53.150(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.3566e-01 1.N26 CB = 38.666(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.8867e-01 1.N26 H = 8.448(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.6389e-01 1.N26 HA = 4.662(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.8227e-01 1.N26 HB2 = 2.692(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.0347e-01 1.N26 HB3 = 2.756(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.8549e-01 1.N26 HD21 = 6.936(D), Expected = 7.35, Std = 0.4800, ChiSquare = 3.8841e-01 1.N26 HD22 = 7.639(D), Expected = 7.14, Std = 0.4900, ChiSquare = 3.0850e-01 1.Y27 CA = 58.656(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.3401e-01 1.Y27 CB = 38.292(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.3413e-01 1.Y27 CD1 = 133.222(D), Expected = 132.77, Std = 1.1700, ChiSquare = 6.9926e-01 1.Y27 CD2 = 133.222(D), Expected = 132.73, Std = 1.3000, ChiSquare = 7.0509e-01 1.Y27 CE1 = 118.273(D), Expected = 117.93, Std = 1.1900, ChiSquare = 7.7317e-01 1.Y27 CE2 = 118.273(D), Expected = 117.90, Std = 1.1800, ChiSquare = 7.5193e-01 1.Y27 H = 8.220(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.9104e-01 1.Y27 HA = 4.431(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.2232e-01 1.Y27 HB2 = 2.942(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.3108e-01 1.Y27 HB3 = 2.942(D), Expected = 2.84, Std = 0.3900, ChiSquare = 7.9368e-01 1.Y27 HD1 = 7.056(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.7449e-01 1.Y27 HD2 = 7.056(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.7449e-01 1.Y27 HE1 = 6.809(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.3556e-01 1.Y27 HE2 = 6.809(D), Expected = 6.71, Std = 0.2300, ChiSquare = 6.6688e-01 1.R28 CA = 56.200(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.0510e-01 1.R28 CB = 30.535(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.2816e-01 1.R28 CG = 26.878(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.8204e-01 1.R28 CD = 43.226(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.4021e-01 1.R28 H = 8.102(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.2102e-01 1.R28 HA = 4.159(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.5921e-01 1.R28 HB2 = 1.594(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.6788e-01 1.R28 HB3 = 1.633(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.5014e-01 1.R28 HG2 = 1.373(D), Expected = 1.57, Std = 0.2700, ChiSquare = 4.6562e-01 1.R28 HG3 = 1.373(D), Expected = 1.54, Std = 0.2900, ChiSquare = 5.6471e-01 1.R28 HD2 = 3.077(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.5781e-01 1.R28 HD3 = 3.077(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.2951e-01 1.R28 HE = 7.148(D), Expected = 7.40, Std = 0.6300, ChiSquare = 6.8916e-01 1.W29 CA = 57.516(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.5549e-01 1.W29 CB = 29.257(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.0794e-01 1.W29 CD1 = 127.392(D), Expected = 126.51, Std = 1.8300, ChiSquare = 6.2983e-01 1.W29 CE3 = 121.067(D), Expected = 120.43, Std = 1.7900, ChiSquare = 7.2194e-01 1.W29 CZ2 = 114.701(D), Expected = 114.26, Std = 1.1200, ChiSquare = 6.9377e-01 1.W29 CZ3 = 122.248(D), Expected = 121.35, Std = 1.5300, ChiSquare = 5.5725e-01 1.W29 CH2 = 124.914(D), Expected = 123.86, Std = 1.4200, ChiSquare = 4.5793e-01 1.W29 H = 8.113(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.2272e-01 1.W29 HA = 4.572(D), Expected = 4.68, Std = 0.5300, ChiSquare = 8.3853e-01 1.W29 HB2 = 3.279(D), Expected = 3.19, Std = 0.3500, ChiSquare = 7.9927e-01 1.W29 HB3 = 3.279(D), Expected = 3.12, Std = 0.3600, ChiSquare = 6.5873e-01 1.W29 HD1 = 7.276(D), Expected = 7.14, Std = 0.3600, ChiSquare = 7.0560e-01 1.W29 HE1 = 10.226(D), Expected = 10.08, Std = 0.6600, ChiSquare = 8.2493e-01 1.W29 HE3 = 7.626(D), Expected = 7.31, Std = 0.4100, ChiSquare = 4.4087e-01 1.W29 HZ2 = 7.461(D), Expected = 7.28, Std = 0.3300, ChiSquare = 5.8336e-01 1.W29 HZ3 = 7.157(D), Expected = 6.86, Std = 0.4000, ChiSquare = 4.5778e-01 1.W29 HH2 = 7.225(D), Expected = 6.98, Std = 0.3900, ChiSquare = 5.2987e-01 1.R30 CA = 55.712(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.4695e-01 1.R30 CB = 30.740(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.8256e-01 1.R30 CG = 26.878(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.8204e-01 1.R30 CD = 43.217(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.4836e-01 1.R30 H = 7.992(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.8433e-01 1.R30 HA = 4.104(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.7004e-01 1.R30 HB2 = 1.530(D), Expected = 1.79, Std = 0.2700, ChiSquare = 3.3557e-01 1.R30 HB3 = 1.714(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.6951e-01 1.R30 HG2 = 1.375(D), Expected = 1.57, Std = 0.2700, ChiSquare = 4.7016e-01 1.R30 HG3 = 1.375(D), Expected = 1.54, Std = 0.2900, ChiSquare = 5.6938e-01 1.R30 HD2 = 3.054(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.8332e-01 1.R30 HD3 = 3.054(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.5957e-01 1.R30 HE = 7.122(D), Expected = 7.40, Std = 0.6300, ChiSquare = 6.5902e-01