Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.71 C 0.17 R 0.03 I 0.02 K 0.02 Q 0.01 C Shift Assignments>> C :: 179.408 CA :: 63.200(D) CB :: 32.600(D) CG :: 27.600 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.500(D) HB2 :: 2.180(D) HB3 :: 2.180(D) HG2 :: 2.120(D) HG3 :: 2.000(D) HD2 :: 3.850(D) HD3 :: 3.750(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 175.900(D) CA :: 62.800(D) CB :: 33.070(D) CG1 :: 22.400(D) CG2 :: 21.100(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.158(D) HA :: 4.310(D) HB :: 2.180(D) HG11 :: 1.075(D) HG12 :: 1.075(D) HG13 :: 1.075(D) HG21 :: 1.170(D) HG22 :: 1.170(D) HG23 :: 1.170(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.100(D) Ave N Shift Values>> N :: 121.02(4.96) 1.T5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.66 T 0.33 C Shift Assignments>> C :: 176.683(D) CA :: 60.768(D) CB :: 74.300(D) CG2 :: 21.230(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.633(D) HA :: 5.230(D) HB :: 4.770(D) HG21 :: 1.570(D) HG22 :: 1.570(D) HG23 :: 1.570(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.140(D) Ave N Shift Values>> N :: 115.7(5.05) 1.L6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.67 L 0.29 K 0.01 R 0.01 C Shift Assignments>> C :: 177.861(D) CA :: 58.700(D) CB :: 39.810(D) CG :: 27.500(D) CD1 :: 27.100(D) CD2 :: 24.800(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.685(D) HA :: 3.400(D) HB2 :: 1.650(D) HB3 :: 1.650(D) HG :: 1.320(D) HD11 :: 0.710(D) HD12 :: 0.710(D) HD13 :: 0.710(D) HD21 :: 0.650(D) HD22 :: 0.650(D) HD23 :: 0.650(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.200(D) Ave N Shift Values>> N :: 121.98(4.07) 1.Y7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.43 C 0.25 Y 0.2 E 0.07 V 0.01 C Shift Assignments>> C :: 179.012(D) CA :: 61.048(D) CB :: 37.530(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.740(D) HA :: 4.276(D) HB2 :: 3.211(D) HB3 :: 2.733(D) HD1 :: 7.300(D) HD2 :: 7.300(D) HE1 :: 6.480(D) HE2 :: 6.480(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.210(D) Ave N Shift Values>> N :: 120.79(4.69) 1.D8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.26 L 0.17 Y 0.16 C 0.16 R 0.09 D 0.08 I 0.04 C Shift Assignments>> C :: 179.176(D) CA :: 57.719(D) CB :: 41.500(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.411(D) HA :: 4.490(D) HB2 :: 2.980(D) HB3 :: 2.722(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.670(D) Ave N Shift Values>> N :: 120.73(4.2) 1.V9 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 :: 176.651(D) CA :: 66.044(D) CB :: 31.330(D) CG1 :: 23.730(D) CG2 :: 21.780(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.312(D) HA :: 3.215(D) HB :: 1.670(D) HG11 :: 0.690(D) HG12 :: 0.690(D) HG13 :: 0.690(D) HG21 :: 0.280(D) HG22 :: 0.280(D) HG23 :: 0.280(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.200(D) Ave N Shift Values>> N :: 121.02(4.96) 1.A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.67 A 0.2 I 0.08 C 0.02 C Shift Assignments>> C :: 179.219(D) CA :: 55.860(D) CB :: 17.360(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.123(D) HA :: 3.493(D) HB1 :: 1.549(D) HB2 :: 1.549(D) HB3 :: 1.549(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.100(D) Ave N Shift Values>> N :: 123.23(3.7) 1.E11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.34 C 0.33 I 0.15 K 0.08 Q 0.04 M 0.04 C Shift Assignments>> C :: 179.144(D) CA :: 59.274(D) CB :: 29.810(D) CG :: 36.000(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.842(D) HA :: 4.106(D) HB2 :: 2.250(D) HB3 :: 2.170(D) HG2 :: 2.440(D) HG3 :: 2.350(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.100(D) Ave N Shift Values>> N :: 120.68(3.68) 1.Y12 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.96 K 0.03 C Shift Assignments>> C :: 177.793(D) CA :: 61.073(D) CB :: 39.600(D) CD1 :: 31.060(A) CD2 :: 31.060(A) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.790(D) HA :: 4.135(D) HB2 :: 3.185(D) HB3 :: 3.023(D) HD1 :: 7.078(D) HD2 :: 7.078(D) HE1 :: 6.820(D) HE2 :: 6.820(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.330(D) Ave N Shift Values>> N :: 120.79(4.69) SRO Rule Breaks>> (CD1 > CA : 1.0000) (CD2 > CA : 1.0000) (CD1 > CB : 1.0000) (CD2 > CB : 1.0000) 1.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.74 M 0.18 C 0.03 L 0.02 C Shift Assignments>> C :: 176.742(D) CA :: 52.347(D) CB :: 20.150(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.347(D) HA :: 4.350(D) HB1 :: 1.307(D) HB2 :: 1.307(D) HB3 :: 1.307(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.220(D) Ave N Shift Values>> N :: 123.23(3.7) 1.G14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 C 0.18 L 0.03 C Shift Assignments>> C :: 179.295(D) CA :: 47.042(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.020(D) HA2 :: 3.940(D) HA3 :: 3.940(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.300(D) Ave N Shift Values>> N :: 109.91(4.29) 1.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.8 V 0.14 A 0.03 I 0.02 C Shift Assignments>> C :: 173.959(D) CA :: 58.475(D) CB :: 35.500(D) CG1 :: 21.370(D) CG2 :: 18.500(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.886(D) HA :: 4.920(D) HB :: 2.270(D) HG11 :: 0.880(D) HG12 :: 0.880(D) HG13 :: 0.880(D) HG21 :: 0.670(D) HG22 :: 0.670(D) HG23 :: 0.670(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 110.580(D) Ave N Shift Values>> N :: 121.02(4.96) 1.S16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.81 S 0.18 C Shift Assignments>> C :: 177.944(D) CA :: 58.376(D) CB :: 67.690 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.696(D) HA :: 4.930(D) HB2 :: 3.350 HB3 :: 3.400(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.430(D) Ave N Shift Values>> N :: 116.3(3.95) 1.Y17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 I 0.25 E 0.18 Y 0.17 V 0.03 M 0.02 K 0.01 C Shift Assignments>> C :: 175.920(D) CA :: 60.161(D) CB :: 36.670(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.302(D) HA :: 3.810(D) HB2 :: 2.650(D) HB3 :: 2.650(D) HD1 :: 7.020(D) HD2 :: 7.020(D) HE1 :: 6.990(D) HE2 :: 6.990(D) HH :: 9.100 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.100(D) Ave N Shift Values>> N :: 120.79(4.69) 1.Q18 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Anomalous N Shifts: Duplicate PRTL>> Q 0.16 K 0.16 R 0.16 H 0.13 C 0.12 L 0.1 E 0.09 I 0.02 M 0.02 C Shift Assignments>> C :: 177.943(D) CA :: 56.004(D) CB :: 28.150(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 5.600(A) HA :: 4.250(D) HB2 :: 2.230(D) HB3 :: 2.340(D) HG2 :: 2.450(D) HG3 :: 2.450(D) HE21 :: 6.651(D) HE22 :: 7.244(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.900(D) NE2 :: 110.650(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.68 C 0.3 C Shift Assignments>> C :: 175.784(D) CA :: 66.493(D) CB :: 66.500(D) CG2 :: 24.100(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.252(D) HA :: 3.920(D) HB :: 4.275(D) HG21 :: 1.111(D) HG22 :: 1.111(D) HG23 :: 1.111(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.620(D) Ave N Shift Values>> N :: 115.7(5.05) 1.V20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 176.742(D) CA :: 67.920(D) CB :: 30.000(D) CG1 :: 21.300(D) CG2 :: 21.900(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.078(D) HA :: 3.380(D) HB :: 2.280(D) HG11 :: 0.775(D) HG12 :: 0.775(D) HG13 :: 0.775(D) HG21 :: 0.780(D) HG22 :: 0.780(D) HG23 :: 0.780(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.120(D) Ave N Shift Values>> N :: 121.02(4.96) 1.S21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.24 V 0.22 P 0.1 C 0.05 Y 0.03 S 0.03 E 0.01 R 0.01 C Shift Assignments>> C :: 178.878(D) CA :: 61.873(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.659(D) HA :: 3.970(D) HB2 :: 3.710(D) HB3 :: 3.710(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.180(D) Ave N Shift Values>> N :: 116.3(3.95) 1.R22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.29 C 0.23 K 0.09 P 0.07 R 0.06 M 0.06 E 0.05 Q 0.04 H 0.03 I 0.03 C Shift Assignments>> C :: 178.619(D) CA :: 60.539(D) CB :: 32.610(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.148(D) HA :: 3.970(D) HB2 :: 1.750(D) HB3 :: 1.910(D) HG2 :: 1.650(D) HG3 :: 1.650(D) HD2 :: 3.540(D) HD3 :: 3.540(D) HE :: 7.050(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.300(D) NE :: 87.800(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V23 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 :: 180.465(D) CA :: 67.187(D) CB :: 31.650(D) CG1 :: 24.700(D) CG2 :: 21.100(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.821(D) HA :: 3.680(D) HB :: 2.262(D) HG11 :: 1.072(D) HG12 :: 1.072(D) HG13 :: 1.072(D) HG21 :: 0.900(D) HG22 :: 0.900(D) HG23 :: 0.900(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.320(D) Ave N Shift Values>> N :: 121.02(4.96) 1.V24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.89 C 0.1 HN Overlap>> 1.R35 1.R35 C Shift Assignments>> C :: 177.161(D) CA :: 66.528(D) CB :: 32.060(D) CG1 :: 24.160(D) CG2 :: 20.300(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.886(D) HA :: 3.625(D) HB :: 2.256(D) HG11 :: 1.170(D) HG12 :: 1.170(D) HG13 :: 1.170(D) HG21 :: 0.923(D) HG22 :: 0.923(D) HG23 :: 0.923(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.200(D) Ave N Shift Values>> N :: 121.02(4.96) 1.N25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 N 0.22 C 0.18 Y 0.16 L 0.1 K 0.01 I 0.01 E 0.01 C Shift Assignments>> C :: 173.549(D) CA :: 54.863(D) CB :: 39.570(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.796(D) HA :: 4.620(D) HB2 :: 2.800(D) HB3 :: 2.587(D) HD21 :: 7.479(D) HD22 :: 7.941(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.300(D) ND2 :: 118.873(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 K 0.29 Q 0.16 R 0.08 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 175.316(D) CA :: 56.687(D) CB :: 25.950(D) CG :: 34.100(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.879(D) HA :: 3.960(D) HB2 :: 2.230(D) HB3 :: 2.230(D) HG2 :: 2.266(D) HG3 :: 2.266(D) HE21 :: 6.675(D) HE22 :: 7.373(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.903(D) NE2 :: 111.900(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.75 M 0.17 C 0.03 L 0.02 C Shift Assignments>> C :: 178.100(D) CA :: 52.234(D) CB :: 20.150(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.559(D) HA :: 4.248(D) HB1 :: 1.382(D) HB2 :: 1.382(D) HB3 :: 1.382(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.705(D) Ave N Shift Values>> N :: 123.23(3.7) 1.S28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.834(D) CA :: 59.210(D) CB :: 63.820(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.115(D) HA :: 4.172(D) HB2 :: 3.440(D) HB3 :: 3.440(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.687(D) Ave N Shift Values>> N :: 116.3(3.95) 1.H29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 R 0.21 C 0.12 Q 0.12 H 0.09 K 0.09 E 0.04 I 0.02 C Shift Assignments>> C :: 173.817(D) CA :: 55.589(D) CB :: 26.910 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.206(D) HA :: 5.010(D) HB2 :: 3.296(D) HB3 :: 2.635(D) HD2 :: 7.350(D) HE1 :: 8.820(D) Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.800(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 177.259(D) CA :: 60.527(D) CB :: 33.560(D) CG1 :: 21.800(D) CG2 :: 21.700(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.571(D) HA :: 4.700(D) HB :: 1.780(D) HG11 :: 0.990(D) HG12 :: 0.990(D) HG13 :: 0.990(D) HG21 :: 0.776(D) HG22 :: 0.776(D) HG23 :: 0.776(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.536(D) Ave N Shift Values>> N :: 121.02(4.96) 1.S31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.565(D) CA :: 58.914(D) CB :: 64.340(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.719(D) HA :: 4.485(D) HB2 :: 4.325(D) HB3 :: 4.032(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 126.310(D) Ave N Shift Values>> N :: 116.3(3.95) 1.A32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.64 A 0.2 I 0.09 C 0.03 V 0.01 C Shift Assignments>> C :: 180.666(D) CA :: 56.193(D) CB :: 18.110(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.955(D) HA :: 4.086(D) HB1 :: 1.487(D) HB2 :: 1.487(D) HB3 :: 1.487(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.200(D) Ave N Shift Values>> N :: 123.23(3.7) 1.K33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.49 C 0.47 M 0.02 C Shift Assignments>> C :: 179.339(D) CA :: 59.051(D) CB :: 31.850(D) CG :: 24.700(D) CD :: 28.900(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.424(D) HA :: 4.105(D) HB2 :: 1.890(D) HB3 :: 1.796(D) HG2 :: 1.433(D) HG3 :: 1.433(D) HD2 :: 1.661(D) HD3 :: 1.661(D) HE2 :: 2.969(D) HE3 :: 2.969(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.500(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.64 C 0.35 C Shift Assignments>> C :: 175.493(D) CA :: 66.426(D) CB :: 67.150(D) CG2 :: 24.600(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.571(D) HA :: 3.759(D) HB :: 4.281(D) HG21 :: 1.051(D) HG22 :: 1.051(D) HG23 :: 1.051(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.040(D) Ave N Shift Values>> N :: 115.7(5.05) 1.R35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.41 C 0.38 G 0.15 K 0.03 HN Overlap>> 1.V24 1.V24 C Shift Assignments>> C :: 178.033(D) CA :: 60.948(D) CB :: 29.810(D) CG :: 27.800(D) CD :: 43.500(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.937(D) HA :: 3.650(D) HB2 :: 1.863(D) HB3 :: 1.863(D) HG2 :: 1.525(D) HG3 :: 1.525(D) HD2 :: 3.240(D) HD3 :: 3.240(D) HE :: 7.504(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.130(D) NE :: 88.600(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 E 0.33 I 0.21 K 0.06 M 0.02 Q 0.02 C Shift Assignments>> C :: 179.583(D) CA :: 59.827(D) CB :: 29.750(D) CG :: 36.200(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.052(D) HA :: 4.065(D) HB2 :: 2.135(D) HB3 :: 2.135(D) HG2 :: 2.470(D) HG3 :: 2.240(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.223(D) Ave N Shift Values>> N :: 120.68(3.68) 1.K37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.43 C 0.39 R 0.14 M 0.02 G 0.01 C Shift Assignments>> C :: 179.941(D) CA :: 59.691(D) CB :: 32.920(D) CG :: 24.800(D) CD :: 29.400(D) CE :: 42.050 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.652(D) HA :: 4.180(D) HB2 :: 2.080(D) HB3 :: 1.982(D) HG2 :: 1.670(D) HG3 :: 1.580(D) HD2 :: 1.792(D) HD3 :: 1.792(D) HE2 :: 2.961(D) HE3 :: 2.961(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.422(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 177.909(D) CA :: 67.156(D) CB :: 31.520(D) CG1 :: 24.400(D) CG2 :: 23.400(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.325(D) HA :: 3.484(D) HB :: 2.175(D) HG11 :: 0.895(D) HG12 :: 0.895(D) HG13 :: 0.895(D) HG21 :: 0.920(D) HG22 :: 0.920(D) HG23 :: 0.920(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.450(D) Ave N Shift Values>> N :: 121.02(4.96) 1.E39 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.99 C Shift Assignments>> C :: 180.245(D) CA :: 60.789(D) CB :: 29.550(D) CG :: 37.600(D) CD :: 0.000(A) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.080(D) HA :: 4.065(D) HB2 :: 2.140(D) HB3 :: 2.140(D) HG2 :: 2.510(D) HG3 :: 2.090(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.848(D) Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (CD > C : 0.9907) (CD > CA : 1.0000) (CD > CB : 1.0000) (CD > CG : 1.0000) 1.A40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.3 I 0.05 C 0.03 C Shift Assignments>> C :: 180.108(D) CA :: 55.432(D) CB :: 17.900(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.066(D) HA :: 4.253(D) HB1 :: 1.580(D) HB2 :: 1.580(D) HB3 :: 1.580(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.222(D) Ave N Shift Values>> N :: 123.23(3.7) 1.A41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.44 A 0.3 L 0.08 C 0.07 V 0.04 T 0.02 C Shift Assignments>> C :: 179.173(D) CA :: 55.325(D) CB :: 20.440(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.642(D) HA :: 3.963(D) HB1 :: 1.610(D) HB2 :: 1.610(D) HB3 :: 1.610(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.641(D) Ave N Shift Values>> N :: 123.23(3.7) 1.M42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.58 M 0.36 I 0.05 C Shift Assignments>> C :: 178.142(D) CA :: 60.746(D) CB :: 33.880(D) CG :: 32.010(D) CE :: 16.200(D) Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.655(D) HA :: 3.710(D) HB2 :: 2.305(D) HB3 :: 0.000(S) HG2 :: 2.950(D) HG3 :: 2.950(D) HE1 :: 2.083(D) HE2 :: 2.083(D) HE3 :: 2.083(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.710(D) Ave N Shift Values>> N :: 120.1(3.88) 1.A43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.5 A 0.42 C 0.03 I 0.02 C Shift Assignments>> C :: 180.831(D) CA :: 54.870(D) CB :: 18.330(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.675(D) HA :: 4.240(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(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.291(D) Ave N Shift Values>> N :: 123.23(3.7) 1.E44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.33 C 0.32 I 0.13 K 0.09 Q 0.06 M 0.04 C Shift Assignments>> C :: 178.490(D) CA :: 59.244(D) CB :: 29.700(D) CG :: 35.800(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.157(D) HA :: 3.963(D) HB2 :: 2.065(D) HB3 :: 1.850(D) HG2 :: 2.330(D) HG3 :: 2.330(D) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.696(D) Ave N Shift Values>> N :: 120.68(3.68) 1.L45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.43 C 0.28 A 0.15 R 0.09 G 0.03 C Shift Assignments>> C :: 176.209(D) CA :: 54.642(D) CB :: 42.430(D) CG :: 26.700(D) CD1 :: 21.900(D) CD2 :: 25.700(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.660(D) HA :: 4.172(D) HB2 :: 1.550(D) HB3 :: 1.400(D) HG :: 1.310(D) HD11 :: 0.550(D) HD12 :: 0.550(D) HD13 :: 0.550(D) HD21 :: 0.400(D) HD22 :: 0.400(D) HD23 :: 0.400(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.685(D) Ave N Shift Values>> N :: 121.98(4.07) 1.N46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.35 C 0.28 E 0.11 Y 0.1 D 0.05 M 0.05 K 0.01 C Shift Assignments>> C :: 174.245(D) CA :: 53.996(D) CB :: 37.210(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.668(D) HA :: 4.251(D) HB2 :: 3.127(D) HB3 :: 2.630(D) HD21 :: 7.302(D) HD22 :: 6.615(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.200(D) ND2 :: 111.300(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.37 C 0.26 I 0.18 L 0.05 D 0.05 K 0.02 E 0.01 N 0.01 C Shift Assignments>> C :: 174.526(D) CA :: 58.507(D) CB :: 39.650(D) Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.991(D) HA :: 4.180(D) HB2 :: 2.595(D) HB3 :: 2.420(D) HD1 :: 6.720(D) HD2 :: 6.720(D) HE1 :: 6.720(D) HE2 :: 6.720 HH :: 9.525(D) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.433(D) Ave N Shift Values>> N :: 120.79(4.69) 1.I48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.49 C 0.47 A 0.02 C Shift Assignments>> C :: 174.526(D) CA :: 57.956(D) CB :: 41.100(D) CG1 :: 26.800(D) CG2 :: 16.600(D) CD1 :: 12.700(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.493(D) HA :: 3.950(D) HB :: 1.510(D) HG12 :: 1.350(D) HG13 :: 0.923(D) HG21 :: 0.743(D) HG22 :: 0.743(D) HG23 :: 0.743(D) HD11 :: 0.750(D) HD12 :: 0.750(D) HD13 :: 0.750(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 130.420(D) Ave N Shift Values>> N :: 121.6(4.72) 1.P49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.23 T 0.2 P 0.2 I 0.16 S 0.13 C 0.02 Y 0.01 C Shift Assignments>> C :: 176.508(D) CA :: 62.850(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.080(D) HB2 :: 2.082(D) HB3 :: 1.447(D) HG2 :: 1.880(D) HG3 :: 1.758(D) HD2 :: 3.350(D) HD3 :: 3.010(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 D 0.22 C 0.18 Y 0.12 L 0.05 E 0.01 C Shift Assignments>> C :: 175.987(D) CA :: 53.972(D) CB :: 38.941(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.354(D) HA :: 4.370(D) HB2 :: 2.990(D) HB3 :: 2.700(D) HD21 :: 6.768(D) HD22 :: 7.934(D) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.950(D) ND2 :: 113.506(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.43 C 0.35 K 0.12 G 0.05 L 0.03 C Shift Assignments>> C :: 179.707(D) CA :: 58.639(D) CB :: 29.570(D) CG :: 27.000(D) CD :: 43.100(D) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.395(D) HA :: 4.385(D) HB2 :: 1.850(D) HB3 :: 1.850(D) HG2 :: 1.711(D) HG3 :: 1.711(D) HD2 :: 3.174(D) HD3 :: 3.174(D) HE :: 7.050(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 128.586(D) NE :: 88.200(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.C52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 C 0.17 R 0.14 H 0.14 K 0.14 E 0.09 Q 0.07 V 0.01 C Shift Assignments>> C :: 176.760(D) CA :: 55.190(D) CB :: 31.654(D) Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.253(D) HA :: 4.732(D) HB2 :: 3.020(D) HB3 :: 2.670(D) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.554(D) Ave N Shift Values>> N :: 119.95(4.79) 1.A53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.56 A 0.31 I 0.04 C 0.04 V 0.01 C Shift Assignments>> C :: 180.337(D) CA :: 55.584(D) CB :: 18.660(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.935(D) HA :: 3.925(D) HB1 :: 1.767(D) HB2 :: 1.767(D) HB3 :: 1.767(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.942(D) Ave N Shift Values>> N :: 123.23(3.7) 1.Q54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 Q 0.2 K 0.17 E 0.16 M 0.07 I 0.03 R 0.02 C Shift Assignments>> C :: 178.361(D) CA :: 59.681(D) CB :: 29.870(D) CG :: 34.000(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.623(D) HA :: 3.960(D) HB2 :: 1.803(D) HB3 :: 2.052(D) HG2 :: 2.630(D) HG3 :: 2.390(D) HE21 :: 6.548(D) HE22 :: 8.253(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.506(D) NE2 :: 113.884(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 E 0.22 Q 0.19 K 0.16 M 0.06 I 0.04 R 0.01 C Shift Assignments>> C :: 179.408(D) CA :: 58.799(D) CB :: 29.740(D) CG :: 34.600(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.180(D) HA :: 3.955(D) HB2 :: 2.190(D) HB3 :: 1.917(D) HG2 :: 2.450(D) HG3 :: 2.246(D) HE21 :: 6.668(D) HE22 :: 7.304(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.103(D) NE2 :: 112.300(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.6 C 0.32 G 0.03 R 0.02 C Shift Assignments>> C :: 177.776(D) CA :: 57.686(D) CB :: 42.666(D) CG :: 26.300(D) CD1 :: 23.900(D) CD2 :: 24.160(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.162(D) HA :: 3.900(D) HB2 :: 1.380(D) HB3 :: 1.090(D) HG :: 1.190(D) HD11 :: 0.590(D) HD12 :: 0.590(D) HD13 :: 0.590(D) HD21 :: 0.050(D) HD22 :: 0.050(D) HD23 :: 0.050(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.731(D) Ave N Shift Values>> N :: 121.98(4.07) 1.A57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.43 M 0.23 L 0.2 C 0.09 V 0.01 C Shift Assignments>> C :: 178.383(D) CA :: 53.214(D) CB :: 21.450(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.583(D) HA :: 4.178(D) HB1 :: 1.387(D) HB2 :: 1.387(D) HB3 :: 1.387(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.746(D) Ave N Shift Values>> N :: 123.23(3.7) 1.G58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.579(D) CA :: 45.389(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.270(D) HA2 :: 4.100(D) HA3 :: 3.840(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.875(D) Ave N Shift Values>> N :: 109.91(4.29) 1.K59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.39 C 0.37 R 0.17 M 0.03 C Shift Assignments>> C :: 176.798(D) CA :: 56.507(D) CB :: 33.000(D) CG :: 24.500(D) CD :: 29.100(D) CE :: 42.100(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.225(D) HA :: 4.290(D) HB2 :: 1.768(D) HB3 :: 1.647(D) HG2 :: 1.360(D) HG3 :: 1.360(D) HD2 :: 1.630(D) HD3 :: 1.630(D) HE2 :: 2.990(D) HE3 :: 2.910(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.906(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.26 C 0.24 K 0.23 E 0.1 M 0.09 R 0.04 C Shift Assignments>> CA :: 55.934(D) CB :: 29.500(D) CG :: 33.700(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.393(D) HA :: 4.330(D) HB2 :: 2.100(D) HB3 :: 1.910(D) HG2 :: 2.340(D) HG3 :: 2.340(D) HE21 :: 6.730(D) HE22 :: 7.450(D) Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.497(D) NE2 :: 112.400(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 55.920(D) CB :: 63.800(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.237(D) HA :: 4.430(D) HB2 :: 3.760(D) HB3 :: 3.760(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.756(D) Ave N Shift Values>> N :: 116.3(3.95) 1.L62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 C 0.3 R 0.12 G 0.05 C Shift Assignments>> CA :: 56.700(D) CB :: 43.100(D) CG :: 27.300(D) CD1 :: 25.100(D) CD2 :: 23.700(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.783(D) HA :: 4.160(D) HB2 :: 1.540(D) HB3 :: 1.540(D) HG :: 1.490(D) HD11 :: 0.860(D) HD12 :: 0.860(D) HD13 :: 0.860(D) HD21 :: 0.810(D) HD22 :: 0.810(D) HD23 :: 0.810(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 130.236(D) Ave N Shift Values>> N :: 121.98(4.07) 2.DG1 Overall Status: Residue type DG not supported. 2.DA2 Overall Status: Residue type DA not supported. 2.DA3 Overall Status: Residue type DA not supported. 2.DT4 Overall Status: Residue type DT not supported. 2.DT5 Overall Status: Residue type DT not supported. 2.DG6 Overall Status: Residue type DG not supported. 2.DT7 Overall Status: Residue type DT not supported. 2.DG8 Overall Status: Residue type DG not supported. 2.DA9 Overall Status: Residue type DA not supported. 2.DG10 Overall Status: Residue type DG not supported. 2.DC11 Overall Status: Residue type DC not supported. 2.DG12 Overall Status: Residue type DG not supported. 2.DG13 Overall Status: Residue type DG not supported. 2.DA14 Overall Status: Residue type DA not supported. 2.DT15 Overall Status: Residue type DT not supported. 2.DA16 Overall Status: Residue type DA not supported. 2.DA17 Overall Status: Residue type DA not supported. 2.DC18 Overall Status: Residue type DC not supported. 2.DA19 Overall Status: Residue type DA not supported. 2.DA20 Overall Status: Residue type DA not supported. 2.DT21 Overall Status: Residue type DT not supported. 2.DT22 Overall Status: Residue type DT not supported. 2.DT23 Overall Status: Residue type DT not supported. 3.DA1 Overall Status: Residue type DA not supported. 3.DA2 Overall Status: Residue type DA not supported. 3.DA3 Overall Status: Residue type DA not supported. 3.DT4 Overall Status: Residue type DT not supported. 3.DT5 Overall Status: Residue type DT not supported. 3.DG6 Overall Status: Residue type DG not supported. 3.DT7 Overall Status: Residue type DT not supported. 3.DT8 Overall Status: Residue type DT not supported. 3.DA9 Overall Status: Residue type DA not supported. 3.DT10 Overall Status: Residue type DT not supported. 3.DC11 Overall Status: Residue type DC not supported. 3.DC12 Overall Status: Residue type DC not supported. 3.DG13 Overall Status: Residue type DG not supported. 3.DC14 Overall Status: Residue type DC not supported. 3.DT15 Overall Status: Residue type DT not supported. 3.DC16 Overall Status: Residue type DC not supported. 3.DA17 Overall Status: Residue type DA not supported. 3.DC18 Overall Status: Residue type DC not supported. 3.DA19 Overall Status: Residue type DA not supported. 3.DA20 Overall Status: Residue type DA not supported. 3.DT21 Overall Status: Residue type DT not supported. 3.DT22 Overall Status: Residue type DT not supported. 3.DC23 Overall Status: Residue type DC not supported. ########################################################################### Overall Results: #Consistent: 2 #Clerical: 56 #Suspicious: 1 #Anomalous: 1 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 58 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 60 #Suspicious: 2 C Shift Results: #Consistent: 5 #Duplicate: 225 #Unknown: 0 #Suspicious: 0 #Anomalous: 3 H Shift Results: #Consistent: 3 #Duplicate: 421 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 N Shift Results: #Consistent: 0 #Duplicate: 69 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P3 CA = 63.200(D), Expected = 63.30, Std = 1.6400, ChiSquare = 9.5138e-01 1.P3 CB = 32.600(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.0796e-01 1.P3 HA = 4.500(D), Expected = 4.41, Std = 0.3600, ChiSquare = 8.0259e-01 1.P3 HB2 = 2.180(D), Expected = 2.05, Std = 0.3900, ChiSquare = 7.3888e-01 1.P3 HB3 = 2.180(D), Expected = 2.05, Std = 0.3900, ChiSquare = 7.3888e-01 1.P3 HG2 = 2.120(D), Expected = 1.93, Std = 0.3600, ChiSquare = 5.9765e-01 1.P3 HG3 = 2.000(D), Expected = 1.92, Std = 0.3700, ChiSquare = 8.2882e-01 1.P3 HD2 = 3.850(D), Expected = 3.64, Std = 0.3600, ChiSquare = 5.5967e-01 1.P3 HD3 = 3.750(D), Expected = 3.63, Std = 0.4000, ChiSquare = 7.6418e-01 1.V4 C = 175.900(D), Expected = 175.69, Std = 2.0300, ChiSquare = 9.1761e-01 1.V4 CA = 62.800(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.1617e-01 1.V4 CB = 33.070(D), Expected = 32.66, Std = 1.9100, ChiSquare = 8.3003e-01 1.V4 CG1 = 22.400(D), Expected = 21.38, Std = 1.5300, ChiSquare = 5.0499e-01 1.V4 CG2 = 21.100(D), Expected = 21.31, Std = 1.7600, ChiSquare = 9.0502e-01 1.V4 H = 8.158(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.5251e-01 1.V4 HA = 4.310(D), Expected = 4.16, Std = 0.5700, ChiSquare = 7.9243e-01 1.V4 HB = 2.180(D), Expected = 1.99, Std = 0.3300, ChiSquare = 5.6478e-01 1.V4 HG11 = 1.075(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.8410e-01 1.V4 HG12 = 1.075(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.8410e-01 1.V4 HG13 = 1.075(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.8410e-01 1.V4 HG21 = 1.170(D), Expected = 0.83, Std = 0.2900, ChiSquare = 2.4103e-01 1.V4 HG22 = 1.170(D), Expected = 0.83, Std = 0.2900, ChiSquare = 2.4103e-01 1.V4 HG23 = 1.170(D), Expected = 0.83, Std = 0.2900, ChiSquare = 2.4103e-01 1.V4 N = 121.100(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.8713e-01 1.T5 C = 176.683(D), Expected = 174.60, Std = 1.8000, ChiSquare = 2.4718e-01 1.T5 CA = 60.768(D), Expected = 62.15, Std = 2.7200, ChiSquare = 6.1139e-01 1.T5 CB = 74.300(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.1220e-03 1.T5 CG2 = 21.230(D), Expected = 21.44, Std = 1.3900, ChiSquare = 8.7991e-01 1.T5 H = 9.633(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.7922e-02 1.T5 HA = 5.230(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.3361e-01 1.T5 HB = 4.770(D), Expected = 4.17, Std = 0.3700, ChiSquare = 1.0488e-01 1.T5 HG21 = 1.570(D), Expected = 1.16, Std = 0.2800, ChiSquare = 1.4312e-01 1.T5 HG22 = 1.570(D), Expected = 1.16, Std = 0.2800, ChiSquare = 1.4312e-01 1.T5 HG23 = 1.570(D), Expected = 1.16, Std = 0.2800, ChiSquare = 1.4312e-01 1.T5 N = 118.140(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.2898e-01 1.L6 C = 177.861(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.6988e-01 1.L6 CA = 58.700(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.6756e-01 1.L6 CB = 39.810(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.6871e-01 1.L6 CG = 27.500(D), Expected = 26.77, Std = 1.2500, ChiSquare = 5.5922e-01 1.L6 CD1 = 27.100(D), Expected = 24.73, Std = 1.7100, ChiSquare = 1.6576e-01 1.L6 CD2 = 24.800(D), Expected = 24.10, Std = 1.7800, ChiSquare = 6.9413e-01 1.L6 H = 9.685(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.4206e-02 1.L6 HA = 3.400(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.0295e-02 1.L6 HB2 = 1.650(D), Expected = 1.63, Std = 0.3400, ChiSquare = 9.5309e-01 1.L6 HB3 = 1.650(D), Expected = 1.57, Std = 0.3600, ChiSquare = 8.2414e-01 1.L6 HG = 1.320(D), Expected = 1.54, Std = 0.3300, ChiSquare = 5.0499e-01 1.L6 HD11 = 0.710(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2414e-01 1.L6 HD12 = 0.710(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2414e-01 1.L6 HD13 = 0.710(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2414e-01 1.L6 HD21 = 0.650(D), Expected = 0.76, Std = 0.2800, ChiSquare = 6.9442e-01 1.L6 HD22 = 0.650(D), Expected = 0.76, Std = 0.2800, ChiSquare = 6.9442e-01 1.L6 HD23 = 0.650(D), Expected = 0.76, Std = 0.2800, ChiSquare = 6.9442e-01 1.L6 N = 121.200(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.4802e-01 1.Y7 C = 179.012(D), Expected = 175.39, Std = 1.8900, ChiSquare = 5.5314e-02 1.Y7 CA = 61.048(D), Expected = 58.02, Std = 2.6400, ChiSquare = 2.5139e-01 1.Y7 CB = 37.530(D), Expected = 39.16, Std = 2.2300, ChiSquare = 4.6481e-01 1.Y7 H = 7.740(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.0091e-01 1.Y7 HA = 4.276(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.2729e-01 1.Y7 HB2 = 3.211(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.1592e-01 1.Y7 HB3 = 2.733(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.3238e-01 1.Y7 HD1 = 7.300(D), Expected = 6.87, Std = 0.6500, ChiSquare = 5.0827e-01 1.Y7 HD2 = 7.300(D), Expected = 6.86, Std = 0.6800, ChiSquare = 5.1759e-01 1.Y7 HE1 = 6.480(D), Expected = 6.64, Std = 0.5800, ChiSquare = 7.8265e-01 1.Y7 HE2 = 6.480(D), Expected = 6.63, Std = 0.6100, ChiSquare = 8.0576e-01 1.Y7 N = 118.210(D), Expected = 120.79, Std = 4.6900, ChiSquare = 5.8225e-01 1.D8 C = 179.176(D), Expected = 176.41, Std = 1.7700, ChiSquare = 1.1812e-01 1.D8 CA = 57.719(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.2768e-01 1.D8 CB = 41.500(D), Expected = 40.70, Std = 1.6700, ChiSquare = 6.3191e-01 1.D8 H = 7.411(D), Expected = 8.33, Std = 0.5700, ChiSquare = 1.0690e-01 1.D8 HA = 4.490(D), Expected = 4.61, Std = 0.3100, ChiSquare = 6.9868e-01 1.D8 HB2 = 2.980(D), Expected = 2.74, Std = 0.2900, ChiSquare = 4.0791e-01 1.D8 HB3 = 2.722(D), Expected = 2.70, Std = 0.2900, ChiSquare = 9.3953e-01 1.D8 N = 120.670(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.8860e-01 1.V9 C = 176.651(D), Expected = 175.69, Std = 2.0300, ChiSquare = 6.3593e-01 1.V9 CA = 66.044(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.4105e-01 1.V9 CB = 31.330(D), Expected = 32.66, Std = 1.9100, ChiSquare = 4.8622e-01 1.V9 CG1 = 23.730(D), Expected = 21.38, Std = 1.5300, ChiSquare = 1.2455e-01 1.V9 CG2 = 21.780(D), Expected = 21.31, Std = 1.7600, ChiSquare = 7.8943e-01 1.V9 H = 7.312(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.6837e-01 1.V9 HA = 3.215(D), Expected = 4.16, Std = 0.5700, ChiSquare = 9.7339e-02 1.V9 HB = 1.670(D), Expected = 1.99, Std = 0.3300, ChiSquare = 3.3220e-01 1.V9 HG11 = 0.690(D), Expected = 0.84, Std = 0.2700, ChiSquare = 5.7851e-01 1.V9 HG12 = 0.690(D), Expected = 0.84, Std = 0.2700, ChiSquare = 5.7851e-01 1.V9 HG13 = 0.690(D), Expected = 0.84, Std = 0.2700, ChiSquare = 5.7851e-01 1.V9 HG21 = 0.280(D), Expected = 0.83, Std = 0.2900, ChiSquare = 5.7887e-02 1.V9 HG22 = 0.280(D), Expected = 0.83, Std = 0.2900, ChiSquare = 5.7887e-02 1.V9 HG23 = 0.280(D), Expected = 0.83, Std = 0.2900, ChiSquare = 5.7887e-02 1.V9 N = 119.200(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.1367e-01 1.A10 C = 179.219(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.1510e-01 1.A10 CA = 55.860(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.8997e-01 1.A10 CB = 17.360(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.0517e-01 1.A10 H = 8.123(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9789e-01 1.A10 HA = 3.493(D), Expected = 4.26, Std = 0.4200, ChiSquare = 6.7822e-02 1.A10 HB1 = 1.549(D), Expected = 1.38, Std = 0.2500, ChiSquare = 4.9904e-01 1.A10 HB2 = 1.549(D), Expected = 1.38, Std = 0.2500, ChiSquare = 4.9904e-01 1.A10 HB3 = 1.549(D), Expected = 1.38, Std = 0.2500, ChiSquare = 4.9904e-01 1.A10 N = 122.100(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.6006e-01 1.E11 C = 179.144(D), Expected = 176.93, Std = 2.1100, ChiSquare = 2.9405e-01 1.E11 CA = 59.274(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.9723e-01 1.E11 CB = 29.810(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.8763e-01 1.E11 CG = 36.000(D), Expected = 36.01, Std = 1.5100, ChiSquare = 9.9472e-01 1.E11 H = 7.842(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.1428e-01 1.E11 HA = 4.106(D), Expected = 4.26, Std = 0.4300, ChiSquare = 7.2024e-01 1.E11 HB2 = 2.250(D), Expected = 2.04, Std = 0.2200, ChiSquare = 3.3981e-01 1.E11 HB3 = 2.170(D), Expected = 2.04, Std = 0.2300, ChiSquare = 5.7193e-01 1.E11 HG2 = 2.440(D), Expected = 2.31, Std = 0.2100, ChiSquare = 5.3589e-01 1.E11 HG3 = 2.350(D), Expected = 2.31, Std = 0.2100, ChiSquare = 8.4894e-01 1.E11 N = 117.100(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.3064e-01 1.Y12 Typing: Mistyped 1.Y12 C = 177.793(D), Expected = 175.39, Std = 1.8900, ChiSquare = 2.0358e-01 1.Y12 CA = 61.073(D), Expected = 58.02, Std = 2.6400, ChiSquare = 2.4750e-01 1.Y12 CB = 39.600(D), Expected = 39.16, Std = 2.2300, ChiSquare = 8.4359e-01 1.Y12 CD1 = 31.060(A), Expected = 132.54, Std = 1.3500, ChiSquare = 0.0000e+00 1.Y12 CD2 = 31.060(A), Expected = 132.26, Std = 1.9900, ChiSquare = 0.0000e+00 1.Y12 H = 7.790(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.3933e-01 1.Y12 HA = 4.135(D), Expected = 4.63, Std = 0.5600, ChiSquare = 3.7674e-01 1.Y12 HB2 = 3.185(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.5733e-01 1.Y12 HB3 = 3.023(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.6006e-01 1.Y12 HD1 = 7.078(D), Expected = 6.87, Std = 0.6500, ChiSquare = 7.4897e-01 1.Y12 HD2 = 7.078(D), Expected = 6.86, Std = 0.6800, ChiSquare = 7.4852e-01 1.Y12 HE1 = 6.820(D), Expected = 6.64, Std = 0.5800, ChiSquare = 7.5630e-01 1.Y12 HE2 = 6.820(D), Expected = 6.63, Std = 0.6100, ChiSquare = 7.5544e-01 1.Y12 N = 120.330(D), Expected = 120.79, Std = 4.6900, ChiSquare = 9.2187e-01 1.Y12 SRO Rule Break>> CD1 > CA : 1 1.Y12 SRO Rule Break>> CD2 > CA : 1 1.Y12 SRO Rule Break>> CD1 > CB : 1 1.Y12 SRO Rule Break>> CD2 > CB : 1 1.A13 C = 176.742(D), Expected = 177.80, Std = 2.1800, ChiSquare = 6.2745e-01 1.A13 CA = 52.347(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.9309e-01 1.A13 CB = 20.150(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.9925e-01 1.A13 H = 8.347(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0646e-01 1.A13 HA = 4.350(D), Expected = 4.26, Std = 0.4200, ChiSquare = 8.3032e-01 1.A13 HB1 = 1.307(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.7029e-01 1.A13 HB2 = 1.307(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.7029e-01 1.A13 HB3 = 1.307(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.7029e-01 1.A13 N = 117.220(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.0431e-01 1.G14 C = 179.295(D), Expected = 174.04, Std = 1.9400, ChiSquare = 6.7535e-03 1.G14 CA = 47.042(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.2796e-01 1.G14 H = 8.020(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.6543e-01 1.G14 HA2 = 3.940(D), Expected = 3.95, Std = 0.4000, ChiSquare = 9.8006e-01 1.G14 HA3 = 3.940(D), Expected = 3.93, Std = 0.4000, ChiSquare = 9.8006e-01 1.G14 N = 108.300(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.0744e-01 1.V15 C = 173.959(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.9382e-01 1.V15 CA = 58.475(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.8769e-01 1.V15 CB = 35.500(D), Expected = 32.66, Std = 1.9100, ChiSquare = 1.3704e-01 1.V15 CG1 = 21.370(D), Expected = 21.38, Std = 1.5300, ChiSquare = 9.9479e-01 1.V15 CG2 = 18.500(D), Expected = 21.31, Std = 1.7600, ChiSquare = 1.1036e-01 1.V15 H = 7.886(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.6935e-01 1.V15 HA = 4.920(D), Expected = 4.16, Std = 0.5700, ChiSquare = 1.8242e-01 1.V15 HB = 2.270(D), Expected = 1.99, Std = 0.3300, ChiSquare = 3.9617e-01 1.V15 HG11 = 0.880(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.8223e-01 1.V15 HG12 = 0.880(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.8223e-01 1.V15 HG13 = 0.880(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.8223e-01 1.V15 HG21 = 0.670(D), Expected = 0.83, Std = 0.2900, ChiSquare = 5.8114e-01 1.V15 HG22 = 0.670(D), Expected = 0.83, Std = 0.2900, ChiSquare = 5.8114e-01 1.V15 HG23 = 0.670(D), Expected = 0.83, Std = 0.2900, ChiSquare = 5.8114e-01 1.V15 N = 110.580(D), Expected = 121.02, Std = 4.9600, ChiSquare = 3.5305e-02 1.S16 C = 177.944(D), Expected = 174.53, Std = 1.7300, ChiSquare = 4.8449e-02 1.S16 CA = 58.376(D), Expected = 58.57, Std = 2.1200, ChiSquare = 9.2709e-01 1.S16 H = 8.696(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.1257e-01 1.S16 HA = 4.930(D), Expected = 4.51, Std = 0.4300, ChiSquare = 3.2870e-01 1.S16 HB3 = 3.400(D), Expected = 3.87, Std = 0.3100, ChiSquare = 1.2949e-01 1.S16 N = 113.430(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.6748e-01 1.Y17 C = 175.920(D), Expected = 175.39, Std = 1.8900, ChiSquare = 7.7915e-01 1.Y17 CA = 60.161(D), Expected = 58.02, Std = 2.6400, ChiSquare = 4.1737e-01 1.Y17 CB = 36.670(D), Expected = 39.16, Std = 2.2300, ChiSquare = 2.6417e-01 1.Y17 H = 8.302(D), Expected = 8.37, Std = 0.7500, ChiSquare = 9.2776e-01 1.Y17 HA = 3.810(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.4312e-01 1.Y17 HB2 = 2.650(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.8224e-01 1.Y17 HB3 = 2.650(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.8224e-01 1.Y17 HD1 = 7.020(D), Expected = 6.87, Std = 0.6500, ChiSquare = 8.1749e-01 1.Y17 HD2 = 7.020(D), Expected = 6.86, Std = 0.6800, ChiSquare = 8.1398e-01 1.Y17 HE1 = 6.990(D), Expected = 6.64, Std = 0.5800, ChiSquare = 5.4621e-01 1.Y17 HE2 = 6.990(D), Expected = 6.63, Std = 0.6100, ChiSquare = 5.5508e-01 1.Y17 N = 118.100(D), Expected = 120.79, Std = 4.6900, ChiSquare = 5.6627e-01 1.Q18 C = 177.943(D), Expected = 176.39, Std = 1.9600, ChiSquare = 4.2816e-01 1.Q18 CA = 56.004(D), Expected = 56.62, Std = 2.1900, ChiSquare = 7.7850e-01 1.Q18 CB = 28.150(D), Expected = 29.10, Std = 1.9700, ChiSquare = 6.2964e-01 1.Q18 H = 5.600(A), Expected = 8.22, Std = 0.6200, ChiSquare = 2.3809e-05 1.Q18 HA = 4.250(D), Expected = 4.28, Std = 0.4400, ChiSquare = 9.4564e-01 1.Q18 HB2 = 2.230(D), Expected = 2.05, Std = 0.2800, ChiSquare = 5.2032e-01 1.Q18 HB3 = 2.340(D), Expected = 2.04, Std = 0.2900, ChiSquare = 3.0091e-01 1.Q18 HG2 = 2.450(D), Expected = 2.32, Std = 0.2900, ChiSquare = 6.5395e-01 1.Q18 HG3 = 2.450(D), Expected = 2.32, Std = 0.2900, ChiSquare = 6.5395e-01 1.Q18 HE21 = 6.651(D), Expected = 7.17, Std = 0.4600, ChiSquare = 2.5921e-01 1.Q18 HE22 = 7.244(D), Expected = 7.07, Std = 0.4900, ChiSquare = 7.2251e-01 1.Q18 N = 121.900(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.2147e-01 1.Q18 NE2 = 110.650(D), Expected = 111.81, Std = 2.2000, ChiSquare = 5.9800e-01 1.T19 C = 175.784(D), Expected = 174.60, Std = 1.8000, ChiSquare = 5.1068e-01 1.T19 CA = 66.493(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.1033e-01 1.T19 CB = 66.500(D), Expected = 69.64, Std = 1.7000, ChiSquare = 6.4739e-02 1.T19 CG2 = 24.100(D), Expected = 21.44, Std = 1.3900, ChiSquare = 5.5663e-02 1.T19 H = 7.252(D), Expected = 8.27, Std = 0.6200, ChiSquare = 1.0060e-01 1.T19 HA = 3.920(D), Expected = 4.48, Std = 0.5000, ChiSquare = 2.6271e-01 1.T19 HB = 4.275(D), Expected = 4.17, Std = 0.3700, ChiSquare = 7.7658e-01 1.T19 HG21 = 1.111(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.6108e-01 1.T19 HG22 = 1.111(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.6108e-01 1.T19 HG23 = 1.111(D), Expected = 1.16, Std = 0.2800, ChiSquare = 8.6108e-01 1.T19 N = 120.620(D), Expected = 115.70, Std = 5.0500, ChiSquare = 3.2993e-01 1.V20 C = 176.742(D), Expected = 175.69, Std = 2.0300, ChiSquare = 6.0430e-01 1.V20 CA = 67.920(D), Expected = 62.48, Std = 3.0400, ChiSquare = 7.3539e-02 1.V20 CB = 30.000(D), Expected = 32.66, Std = 1.9100, ChiSquare = 1.6372e-01 1.V20 CG1 = 21.300(D), Expected = 21.38, Std = 1.5300, ChiSquare = 9.5830e-01 1.V20 CG2 = 21.900(D), Expected = 21.31, Std = 1.7600, ChiSquare = 7.3745e-01 1.V20 H = 7.078(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.7814e-02 1.V20 HA = 3.380(D), Expected = 4.16, Std = 0.5700, ChiSquare = 1.7118e-01 1.V20 HB = 2.280(D), Expected = 1.99, Std = 0.3300, ChiSquare = 3.7952e-01 1.V20 HG11 = 0.775(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.0976e-01 1.V20 HG12 = 0.775(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.0976e-01 1.V20 HG13 = 0.775(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.0976e-01 1.V20 HG21 = 0.780(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.6311e-01 1.V20 HG22 = 0.780(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.6311e-01 1.V20 HG23 = 0.780(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.6311e-01 1.V20 N = 120.120(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.5601e-01 1.S21 C = 178.878(D), Expected = 174.53, Std = 1.7300, ChiSquare = 1.1961e-02 1.S21 CA = 61.873(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.1923e-01 1.S21 H = 7.659(D), Expected = 8.29, Std = 0.6200, ChiSquare = 3.0880e-01 1.S21 HA = 3.970(D), Expected = 4.51, Std = 0.4300, ChiSquare = 2.0918e-01 1.S21 HB2 = 3.710(D), Expected = 3.88, Std = 0.2900, ChiSquare = 5.5774e-01 1.S21 HB3 = 3.710(D), Expected = 3.87, Std = 0.3100, ChiSquare = 6.0576e-01 1.S21 N = 113.180(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.2960e-01 1.R22 C = 178.619(D), Expected = 176.49, Std = 2.1600, ChiSquare = 3.2431e-01 1.R22 CA = 60.539(D), Expected = 56.95, Std = 2.4100, ChiSquare = 1.3643e-01 1.R22 CB = 32.610(D), Expected = 30.66, Std = 1.7700, ChiSquare = 2.7059e-01 1.R22 H = 8.148(D), Expected = 8.24, Std = 0.6000, ChiSquare = 8.7814e-01 1.R22 HA = 3.970(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.9535e-01 1.R22 HB2 = 1.750(D), Expected = 1.79, Std = 0.2800, ChiSquare = 8.8640e-01 1.R22 HB3 = 1.910(D), Expected = 1.78, Std = 0.2800, ChiSquare = 6.4244e-01 1.R22 HG2 = 1.650(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.9544e-01 1.R22 HG3 = 1.650(D), Expected = 1.58, Std = 0.2700, ChiSquare = 7.9544e-01 1.R22 HD2 = 3.540(D), Expected = 3.13, Std = 0.2300, ChiSquare = 7.4650e-02 1.R22 HD3 = 3.540(D), Expected = 3.13, Std = 0.2200, ChiSquare = 6.2373e-02 1.R22 HE = 7.050(D), Expected = 7.32, Std = 0.5200, ChiSquare = 6.0360e-01 1.R22 N = 118.300(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.5364e-01 1.R22 NE = 87.800(D), Expected = 89.80, Std = 12.8300, ChiSquare = 8.7612e-01 1.V23 C = 180.465(D), Expected = 175.69, Std = 2.0300, ChiSquare = 1.8662e-02 1.V23 CA = 67.187(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.2154e-01 1.V23 CB = 31.650(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.9695e-01 1.V23 CG1 = 24.700(D), Expected = 21.38, Std = 1.5300, ChiSquare = 3.0012e-02 1.V23 CG2 = 21.100(D), Expected = 21.31, Std = 1.7600, ChiSquare = 9.0502e-01 1.V23 H = 7.821(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.0889e-01 1.V23 HA = 3.680(D), Expected = 4.16, Std = 0.5700, ChiSquare = 3.9973e-01 1.V23 HB = 2.262(D), Expected = 1.99, Std = 0.3300, ChiSquare = 4.0980e-01 1.V23 HG11 = 1.072(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.9020e-01 1.V23 HG12 = 1.072(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.9020e-01 1.V23 HG13 = 1.072(D), Expected = 0.84, Std = 0.2700, ChiSquare = 3.9020e-01 1.V23 HG21 = 0.900(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.0926e-01 1.V23 HG22 = 0.900(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.0926e-01 1.V23 HG23 = 0.900(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.0926e-01 1.V23 N = 119.320(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.3179e-01 1.V24 C = 177.161(D), Expected = 175.69, Std = 2.0300, ChiSquare = 4.6868e-01 1.V24 CA = 66.528(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.8300e-01 1.V24 CB = 32.060(D), Expected = 32.66, Std = 1.9100, ChiSquare = 7.5342e-01 1.V24 CG1 = 24.160(D), Expected = 21.38, Std = 1.5300, ChiSquare = 6.9218e-02 1.V24 CG2 = 20.300(D), Expected = 21.31, Std = 1.7600, ChiSquare = 5.6606e-01 1.V24 H = 8.886(D), Expected = 8.29, Std = 0.7100, ChiSquare = 4.0122e-01 1.V24 HA = 3.625(D), Expected = 4.16, Std = 0.5700, ChiSquare = 3.4794e-01 1.V24 HB = 2.256(D), Expected = 1.99, Std = 0.3300, ChiSquare = 4.2021e-01 1.V24 HG11 = 1.170(D), Expected = 0.84, Std = 0.2700, ChiSquare = 2.2162e-01 1.V24 HG12 = 1.170(D), Expected = 0.84, Std = 0.2700, ChiSquare = 2.2162e-01 1.V24 HG13 = 1.170(D), Expected = 0.84, Std = 0.2700, ChiSquare = 2.2162e-01 1.V24 HG21 = 0.923(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.4845e-01 1.V24 HG22 = 0.923(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.4845e-01 1.V24 HG23 = 0.923(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.4845e-01 1.V24 N = 123.200(D), Expected = 121.02, Std = 4.9600, ChiSquare = 6.6029e-01 1.N25 C = 173.549(D), Expected = 175.16, Std = 1.7600, ChiSquare = 3.6001e-01 1.N25 CA = 54.863(D), Expected = 53.43, Std = 1.9400, ChiSquare = 4.6011e-01 1.N25 CB = 39.570(D), Expected = 38.66, Std = 1.7800, ChiSquare = 6.0919e-01 1.N25 H = 7.796(D), Expected = 8.37, Std = 0.6500, ChiSquare = 3.7719e-01 1.N25 HA = 4.620(D), Expected = 4.70, Std = 0.3900, ChiSquare = 8.3747e-01 1.N25 HB2 = 2.800(D), Expected = 2.80, Std = 0.3400, ChiSquare = 1.0000e+00 1.N25 HB3 = 2.587(D), Expected = 2.78, Std = 0.3400, ChiSquare = 5.7027e-01 1.N25 HD21 = 7.479(D), Expected = 7.27, Std = 0.5200, ChiSquare = 6.8774e-01 1.N25 HD22 = 7.941(D), Expected = 7.20, Std = 0.5200, ChiSquare = 1.5416e-01 1.N25 N = 114.300(D), Expected = 119.13, Std = 4.4200, ChiSquare = 2.7450e-01 1.N25 ND2 = 118.873(D), Expected = 112.83, Std = 2.6000, ChiSquare = 2.0113e-02 1.Q26 C = 175.316(D), Expected = 176.39, Std = 1.9600, ChiSquare = 5.8372e-01 1.Q26 CA = 56.687(D), Expected = 56.62, Std = 2.1900, ChiSquare = 9.7559e-01 1.Q26 CB = 25.950(D), Expected = 29.10, Std = 1.9700, ChiSquare = 1.0982e-01 1.Q26 CG = 34.100(D), Expected = 33.72, Std = 1.1000, ChiSquare = 7.2975e-01 1.Q26 H = 7.879(D), Expected = 8.22, Std = 0.6200, ChiSquare = 5.8232e-01 1.Q26 HA = 3.960(D), Expected = 4.28, Std = 0.4400, ChiSquare = 4.6706e-01 1.Q26 HB2 = 2.230(D), Expected = 2.05, Std = 0.2800, ChiSquare = 5.2032e-01 1.Q26 HB3 = 2.230(D), Expected = 2.04, Std = 0.2900, ChiSquare = 5.1236e-01 1.Q26 HG2 = 2.266(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.5228e-01 1.Q26 HG3 = 2.266(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.5228e-01 1.Q26 HE21 = 6.675(D), Expected = 7.17, Std = 0.4600, ChiSquare = 2.8189e-01 1.Q26 HE22 = 7.373(D), Expected = 7.07, Std = 0.4900, ChiSquare = 5.3633e-01 1.Q26 N = 116.903(D), Expected = 119.92, Std = 4.0100, ChiSquare = 4.5183e-01 1.Q26 NE2 = 111.900(D), Expected = 111.81, Std = 2.2000, ChiSquare = 9.6737e-01 1.A27 C = 178.100(D), Expected = 177.80, Std = 2.1800, ChiSquare = 8.9055e-01 1.A27 CA = 52.234(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.5306e-01 1.A27 CB = 20.150(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.9925e-01 1.A27 H = 8.559(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.4962e-01 1.A27 HA = 4.248(D), Expected = 4.26, Std = 0.4200, ChiSquare = 9.7721e-01 1.A27 HB1 = 1.382(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.9362e-01 1.A27 HB2 = 1.382(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.9362e-01 1.A27 HB3 = 1.382(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.9362e-01 1.A27 N = 120.705(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.9497e-01 1.S28 C = 174.834(D), Expected = 174.53, Std = 1.7300, ChiSquare = 8.6051e-01 1.S28 CA = 59.210(D), Expected = 58.57, Std = 2.1200, ChiSquare = 7.6274e-01 1.S28 CB = 63.820(D), Expected = 63.80, Std = 1.5700, ChiSquare = 9.8984e-01 1.S28 H = 8.115(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.7775e-01 1.S28 HA = 4.172(D), Expected = 4.51, Std = 0.4300, ChiSquare = 4.3184e-01 1.S28 HB2 = 3.440(D), Expected = 3.88, Std = 0.2900, ChiSquare = 1.2921e-01 1.S28 HB3 = 3.440(D), Expected = 3.87, Std = 0.3100, ChiSquare = 1.6541e-01 1.S28 N = 113.687(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.0828e-01 1.H29 C = 173.817(D), Expected = 175.19, Std = 2.1400, ChiSquare = 5.2114e-01 1.H29 CA = 55.589(D), Expected = 56.37, Std = 2.4000, ChiSquare = 7.4487e-01 1.H29 H = 8.206(D), Expected = 8.25, Std = 0.7400, ChiSquare = 9.5259e-01 1.H29 HA = 5.010(D), Expected = 4.62, Std = 0.5100, ChiSquare = 4.4445e-01 1.H29 HB2 = 3.296(D), Expected = 3.12, Std = 0.4300, ChiSquare = 6.8232e-01 1.H29 HB3 = 2.635(D), Expected = 3.11, Std = 0.4500, ChiSquare = 2.9117e-01 1.H29 HD2 = 7.350(D), Expected = 7.08, Std = 0.5000, ChiSquare = 5.8920e-01 1.H29 HE1 = 8.820(D), Expected = 8.08, Std = 0.5700, ChiSquare = 1.9420e-01 1.H29 N = 113.800(D), Expected = 119.44, Std = 4.5200, ChiSquare = 2.1211e-01 1.V30 C = 177.259(D), Expected = 175.69, Std = 2.0300, ChiSquare = 4.3958e-01 1.V30 CA = 60.527(D), Expected = 62.48, Std = 3.0400, ChiSquare = 5.2059e-01 1.V30 CB = 33.560(D), Expected = 32.66, Std = 1.9100, ChiSquare = 6.3749e-01 1.V30 CG1 = 21.800(D), Expected = 21.38, Std = 1.5300, ChiSquare = 7.8369e-01 1.V30 CG2 = 21.700(D), Expected = 21.31, Std = 1.7600, ChiSquare = 8.2463e-01 1.V30 H = 7.571(D), Expected = 8.29, Std = 0.7100, ChiSquare = 3.1122e-01 1.V30 HA = 4.700(D), Expected = 4.16, Std = 0.5700, ChiSquare = 3.4345e-01 1.V30 HB = 1.780(D), Expected = 1.99, Std = 0.3300, ChiSquare = 5.2454e-01 1.V30 HG11 = 0.990(D), Expected = 0.84, Std = 0.2700, ChiSquare = 5.7851e-01 1.V30 HG12 = 0.990(D), Expected = 0.84, Std = 0.2700, ChiSquare = 5.7851e-01 1.V30 HG13 = 0.990(D), Expected = 0.84, Std = 0.2700, ChiSquare = 5.7851e-01 1.V30 HG21 = 0.776(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.5228e-01 1.V30 HG22 = 0.776(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.5228e-01 1.V30 HG23 = 0.776(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.5228e-01 1.V30 N = 118.536(D), Expected = 121.02, Std = 4.9600, ChiSquare = 6.1651e-01 1.S31 C = 174.565(D), Expected = 174.53, Std = 1.7300, ChiSquare = 9.8386e-01 1.S31 CA = 58.914(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.7110e-01 1.S31 CB = 64.340(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.3088e-01 1.S31 H = 9.719(D), Expected = 8.29, Std = 0.6200, ChiSquare = 2.1176e-02 1.S31 HA = 4.485(D), Expected = 4.51, Std = 0.4300, ChiSquare = 9.5364e-01 1.S31 HB2 = 4.325(D), Expected = 3.88, Std = 0.2900, ChiSquare = 1.2491e-01 1.S31 HB3 = 4.032(D), Expected = 3.87, Std = 0.3100, ChiSquare = 6.0127e-01 1.S31 N = 126.310(D), Expected = 116.30, Std = 3.9500, ChiSquare = 1.1271e-02 1.A32 C = 180.666(D), Expected = 177.80, Std = 2.1800, ChiSquare = 1.8862e-01 1.A32 CA = 56.193(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.4093e-01 1.A32 CB = 18.110(D), Expected = 18.90, Std = 1.8500, ChiSquare = 6.6936e-01 1.A32 H = 8.955(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0827e-01 1.A32 HA = 4.086(D), Expected = 4.26, Std = 0.4200, ChiSquare = 6.7866e-01 1.A32 HB1 = 1.487(D), Expected = 1.38, Std = 0.2500, ChiSquare = 6.6865e-01 1.A32 HB2 = 1.487(D), Expected = 1.38, Std = 0.2500, ChiSquare = 6.6865e-01 1.A32 HB3 = 1.487(D), Expected = 1.38, Std = 0.2500, ChiSquare = 6.6865e-01 1.A32 N = 126.200(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.2215e-01 1.K33 C = 179.339(D), Expected = 176.46, Std = 2.0500, ChiSquare = 1.6020e-01 1.K33 CA = 59.051(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.2577e-01 1.K33 CB = 31.850(D), Expected = 32.83, Std = 1.8800, ChiSquare = 6.0217e-01 1.K33 CG = 24.700(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.7264e-01 1.K33 CD = 28.900(D), Expected = 28.78, Std = 1.3900, ChiSquare = 9.3120e-01 1.K33 H = 8.424(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.4992e-01 1.K33 HA = 4.105(D), Expected = 4.28, Std = 0.4500, ChiSquare = 6.9736e-01 1.K33 HB2 = 1.890(D), Expected = 1.79, Std = 0.2500, ChiSquare = 6.8916e-01 1.K33 HB3 = 1.796(D), Expected = 1.78, Std = 0.2600, ChiSquare = 9.5093e-01 1.K33 HG2 = 1.433(D), Expected = 1.38, Std = 0.2700, ChiSquare = 8.4438e-01 1.K33 HG3 = 1.433(D), Expected = 1.37, Std = 0.2900, ChiSquare = 8.2802e-01 1.K33 HD2 = 1.661(D), Expected = 1.61, Std = 0.2500, ChiSquare = 8.3835e-01 1.K33 HD3 = 1.661(D), Expected = 1.61, Std = 0.2500, ChiSquare = 8.3835e-01 1.K33 HE2 = 2.969(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.4539e-01 1.K33 HE3 = 2.969(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.4539e-01 1.K33 N = 116.500(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.5687e-01 1.T34 C = 175.493(D), Expected = 174.60, Std = 1.8000, ChiSquare = 6.1982e-01 1.T34 CA = 66.426(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.1594e-01 1.T34 CB = 67.150(D), Expected = 69.64, Std = 1.7000, ChiSquare = 1.4300e-01 1.T34 CG2 = 24.600(D), Expected = 21.44, Std = 1.3900, ChiSquare = 2.3003e-02 1.T34 H = 7.571(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.5957e-01 1.T34 HA = 3.759(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.4930e-01 1.T34 HB = 4.281(D), Expected = 4.17, Std = 0.3700, ChiSquare = 7.6418e-01 1.T34 HG21 = 1.051(D), Expected = 1.16, Std = 0.2800, ChiSquare = 6.9706e-01 1.T34 HG22 = 1.051(D), Expected = 1.16, Std = 0.2800, ChiSquare = 6.9706e-01 1.T34 HG23 = 1.051(D), Expected = 1.16, Std = 0.2800, ChiSquare = 6.9706e-01 1.T34 N = 120.040(D), Expected = 115.70, Std = 5.0500, ChiSquare = 3.9012e-01 1.R35 C = 178.033(D), Expected = 176.49, Std = 2.1600, ChiSquare = 4.7501e-01 1.R35 CA = 60.948(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.7132e-02 1.R35 CB = 29.810(D), Expected = 30.66, Std = 1.7700, ChiSquare = 6.3107e-01 1.R35 CG = 27.800(D), Expected = 27.31, Std = 1.6500, ChiSquare = 7.6649e-01 1.R35 CD = 43.500(D), Expected = 43.10, Std = 1.1000, ChiSquare = 7.1613e-01 1.R35 H = 8.937(D), Expected = 8.24, Std = 0.6000, ChiSquare = 2.4537e-01 1.R35 HA = 3.650(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.5881e-01 1.R35 HB2 = 1.863(D), Expected = 1.79, Std = 0.2800, ChiSquare = 7.9431e-01 1.R35 HB3 = 1.863(D), Expected = 1.78, Std = 0.2800, ChiSquare = 7.6690e-01 1.R35 HG2 = 1.525(D), Expected = 1.58, Std = 0.2700, ChiSquare = 8.3859e-01 1.R35 HG3 = 1.525(D), Expected = 1.58, Std = 0.2700, ChiSquare = 8.3859e-01 1.R35 HD2 = 3.240(D), Expected = 3.13, Std = 0.2300, ChiSquare = 6.3246e-01 1.R35 HD3 = 3.240(D), Expected = 3.13, Std = 0.2200, ChiSquare = 6.1707e-01 1.R35 HE = 7.504(D), Expected = 7.32, Std = 0.5200, ChiSquare = 7.2345e-01 1.R35 N = 123.130(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.1818e-01 1.R35 NE = 88.600(D), Expected = 89.80, Std = 12.8300, ChiSquare = 9.2548e-01 1.E36 C = 179.583(D), Expected = 176.93, Std = 2.1100, ChiSquare = 2.0863e-01 1.E36 CA = 59.827(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.7173e-01 1.E36 CB = 29.750(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.6193e-01 1.E36 CG = 36.200(D), Expected = 36.01, Std = 1.5100, ChiSquare = 8.9987e-01 1.E36 H = 8.052(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.3683e-01 1.E36 HA = 4.065(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.5020e-01 1.E36 HB2 = 2.135(D), Expected = 2.04, Std = 0.2200, ChiSquare = 6.6587e-01 1.E36 HB3 = 2.135(D), Expected = 2.04, Std = 0.2300, ChiSquare = 6.7957e-01 1.E36 HG2 = 2.470(D), Expected = 2.31, Std = 0.2100, ChiSquare = 4.4612e-01 1.E36 HG3 = 2.240(D), Expected = 2.31, Std = 0.2100, ChiSquare = 7.3888e-01 1.E36 N = 117.223(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.4752e-01 1.K37 C = 179.941(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.9499e-02 1.K37 CA = 59.691(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.0512e-01 1.K37 CB = 32.920(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.6182e-01 1.K37 CG = 24.800(D), Expected = 24.91, Std = 1.3100, ChiSquare = 9.3308e-01 1.K37 CD = 29.400(D), Expected = 28.78, Std = 1.3900, ChiSquare = 6.5557e-01 1.K37 H = 7.652(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.7481e-01 1.K37 HA = 4.180(D), Expected = 4.28, Std = 0.4500, ChiSquare = 8.2414e-01 1.K37 HB2 = 2.080(D), Expected = 1.79, Std = 0.2500, ChiSquare = 2.4605e-01 1.K37 HB3 = 1.982(D), Expected = 1.78, Std = 0.2600, ChiSquare = 4.3720e-01 1.K37 HG2 = 1.670(D), Expected = 1.38, Std = 0.2700, ChiSquare = 2.8279e-01 1.K37 HG3 = 1.580(D), Expected = 1.37, Std = 0.2900, ChiSquare = 4.6898e-01 1.K37 HD2 = 1.792(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.6661e-01 1.K37 HD3 = 1.792(D), Expected = 1.61, Std = 0.2500, ChiSquare = 4.6661e-01 1.K37 HE2 = 2.961(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.7682e-01 1.K37 HE3 = 2.961(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.7682e-01 1.K37 N = 119.422(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.7239e-01 1.V38 C = 177.909(D), Expected = 175.69, Std = 2.0300, ChiSquare = 2.7435e-01 1.V38 CA = 67.156(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.2401e-01 1.V38 CB = 31.520(D), Expected = 32.66, Std = 1.9100, ChiSquare = 5.5060e-01 1.V38 CG1 = 24.400(D), Expected = 21.38, Std = 1.5300, ChiSquare = 4.8398e-02 1.V38 CG2 = 23.400(D), Expected = 21.31, Std = 1.7600, ChiSquare = 2.3503e-01 1.V38 H = 8.325(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.6068e-01 1.V38 HA = 3.484(D), Expected = 4.16, Std = 0.5700, ChiSquare = 2.3564e-01 1.V38 HB = 2.175(D), Expected = 1.99, Std = 0.3300, ChiSquare = 5.7507e-01 1.V38 HG11 = 0.895(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.3859e-01 1.V38 HG12 = 0.895(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.3859e-01 1.V38 HG13 = 0.895(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.3859e-01 1.V38 HG21 = 0.920(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.5630e-01 1.V38 HG22 = 0.920(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.5630e-01 1.V38 HG23 = 0.920(D), Expected = 0.83, Std = 0.2900, ChiSquare = 7.5630e-01 1.V38 N = 120.450(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.0851e-01 1.E39 Typing: Mistyped 1.E39 C = 180.245(D), Expected = 176.93, Std = 2.1100, ChiSquare = 1.1616e-01 1.E39 CA = 60.789(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.2396e-01 1.E39 CB = 29.550(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.7748e-01 1.E39 CG = 37.600(D), Expected = 36.01, Std = 1.5100, ChiSquare = 2.9235e-01 1.E39 CD = 0.000(A), Expected = 181.94, Std = 1.8500, ChiSquare = 0.0000e+00 1.E39 H = 9.080(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.2509e-01 1.E39 HA = 4.065(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.5020e-01 1.E39 HB2 = 2.140(D), Expected = 2.04, Std = 0.2200, ChiSquare = 6.4944e-01 1.E39 HB3 = 2.140(D), Expected = 2.04, Std = 0.2300, ChiSquare = 6.6372e-01 1.E39 HG2 = 2.510(D), Expected = 2.31, Std = 0.2100, ChiSquare = 3.4090e-01 1.E39 HG3 = 2.090(D), Expected = 2.31, Std = 0.2100, ChiSquare = 2.9481e-01 1.E39 N = 120.848(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.6359e-01 1.E39 SRO Rule Break>> CD > C : 0.990654205607477 1.E39 SRO Rule Break>> CD > CA : 1 1.E39 SRO Rule Break>> CD > CB : 1 1.E39 SRO Rule Break>> CD > CG : 1 1.A40 C = 180.108(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.8973e-01 1.A40 CA = 55.432(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.7007e-01 1.A40 CB = 17.900(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.8882e-01 1.A40 H = 8.066(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.2328e-01 1.A40 HA = 4.253(D), Expected = 4.26, Std = 0.4200, ChiSquare = 9.8670e-01 1.A40 HB1 = 1.580(D), Expected = 1.38, Std = 0.2500, ChiSquare = 4.2371e-01 1.A40 HB2 = 1.580(D), Expected = 1.38, Std = 0.2500, ChiSquare = 4.2371e-01 1.A40 HB3 = 1.580(D), Expected = 1.38, Std = 0.2500, ChiSquare = 4.2371e-01 1.A40 N = 122.222(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.8529e-01 1.A41 C = 179.173(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.2881e-01 1.A41 CA = 55.325(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.9327e-01 1.A41 CB = 20.440(D), Expected = 18.90, Std = 1.8500, ChiSquare = 4.0517e-01 1.A41 H = 7.642(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5237e-01 1.A41 HA = 3.963(D), Expected = 4.26, Std = 0.4200, ChiSquare = 4.7948e-01 1.A41 HB1 = 1.610(D), Expected = 1.38, Std = 0.2500, ChiSquare = 3.5757e-01 1.A41 HB2 = 1.610(D), Expected = 1.38, Std = 0.2500, ChiSquare = 3.5757e-01 1.A41 HB3 = 1.610(D), Expected = 1.38, Std = 0.2500, ChiSquare = 3.5757e-01 1.A41 N = 121.641(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.6759e-01 1.M42 C = 178.142(D), Expected = 176.30, Std = 2.1300, ChiSquare = 3.8716e-01 1.M42 CA = 60.746(D), Expected = 56.16, Std = 2.3400, ChiSquare = 5.0016e-02 1.M42 CB = 33.880(D), Expected = 32.90, Std = 2.2300, ChiSquare = 6.6033e-01 1.M42 CG = 32.010(D), Expected = 32.07, Std = 1.4500, ChiSquare = 9.6699e-01 1.M42 CE = 16.200(D), Expected = 17.21, Std = 3.4200, ChiSquare = 7.6775e-01 1.M42 H = 8.655(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.1032e-01 1.M42 HA = 3.710(D), Expected = 4.39, Std = 0.4600, ChiSquare = 1.3934e-01 1.M42 HB2 = 2.305(D), Expected = 2.03, Std = 0.3800, ChiSquare = 4.6926e-01 1.M42 HB3 = 0.000(S), Expected = 2.01, Std = 0.3600, ChiSquare = 2.3595e-08 1.M42 HG2 = 2.950(D), Expected = 2.44, Std = 0.3600, ChiSquare = 1.5658e-01 1.M42 HG3 = 2.950(D), Expected = 2.41, Std = 0.4000, ChiSquare = 1.7702e-01 1.M42 HE1 = 2.083(D), Expected = 1.86, Std = 0.4700, ChiSquare = 6.3517e-01 1.M42 HE2 = 2.083(D), Expected = 1.86, Std = 0.4700, ChiSquare = 6.3517e-01 1.M42 HE3 = 2.083(D), Expected = 1.86, Std = 0.4700, ChiSquare = 6.3517e-01 1.M42 N = 115.710(D), Expected = 120.10, Std = 3.8800, ChiSquare = 2.5787e-01 1.A43 C = 180.831(D), Expected = 177.80, Std = 2.1800, ChiSquare = 1.6442e-01 1.A43 CA = 54.870(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.0648e-01 1.A43 CB = 18.330(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.5800e-01 1.A43 H = 7.675(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.8157e-01 1.A43 HA = 4.240(D), Expected = 4.26, Std = 0.4200, ChiSquare = 9.6202e-01 1.A43 HB1 = 1.530(D), Expected = 1.38, Std = 0.2500, ChiSquare = 5.4851e-01 1.A43 HB2 = 1.530(D), Expected = 1.38, Std = 0.2500, ChiSquare = 5.4851e-01 1.A43 HB3 = 1.530(D), Expected = 1.38, Std = 0.2500, ChiSquare = 5.4851e-01 1.A43 N = 120.291(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.2701e-01 1.E44 C = 178.490(D), Expected = 176.93, Std = 2.1100, ChiSquare = 4.5970e-01 1.E44 CA = 59.244(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.0491e-01 1.E44 CB = 29.700(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.4063e-01 1.E44 CG = 35.800(D), Expected = 36.01, Std = 1.5100, ChiSquare = 8.8939e-01 1.E44 H = 8.157(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.6418e-01 1.E44 HA = 3.963(D), Expected = 4.26, Std = 0.4300, ChiSquare = 4.8976e-01 1.E44 HB2 = 2.065(D), Expected = 2.04, Std = 0.2200, ChiSquare = 9.0953e-01 1.E44 HB3 = 1.850(D), Expected = 2.04, Std = 0.2300, ChiSquare = 4.0876e-01 1.E44 HG2 = 2.330(D), Expected = 2.31, Std = 0.2100, ChiSquare = 9.2413e-01 1.E44 HG3 = 2.330(D), Expected = 2.31, Std = 0.2100, ChiSquare = 9.2413e-01 1.E44 N = 119.696(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.8917e-01 1.L45 C = 176.209(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.1577e-01 1.L45 CA = 54.642(D), Expected = 55.65, Std = 2.2100, ChiSquare = 6.4831e-01 1.L45 CB = 42.430(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.7427e-01 1.L45 CG = 26.700(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.5534e-01 1.L45 CD1 = 21.900(D), Expected = 24.73, Std = 1.7100, ChiSquare = 9.7930e-02 1.L45 CD2 = 25.700(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.6872e-01 1.L45 H = 7.660(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.8894e-01 1.L45 HA = 4.172(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.5284e-01 1.L45 HB2 = 1.550(D), Expected = 1.63, Std = 0.3400, ChiSquare = 8.1398e-01 1.L45 HB3 = 1.400(D), Expected = 1.57, Std = 0.3600, ChiSquare = 6.3677e-01 1.L45 HG = 1.310(D), Expected = 1.54, Std = 0.3300, ChiSquare = 4.8582e-01 1.L45 HD11 = 0.550(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.1518e-01 1.L45 HD12 = 0.550(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.1518e-01 1.L45 HD13 = 0.550(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.1518e-01 1.L45 HD21 = 0.400(D), Expected = 0.76, Std = 0.2800, ChiSquare = 1.9854e-01 1.L45 HD22 = 0.400(D), Expected = 0.76, Std = 0.2800, ChiSquare = 1.9854e-01 1.L45 HD23 = 0.400(D), Expected = 0.76, Std = 0.2800, ChiSquare = 1.9854e-01 1.L45 N = 114.685(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.3072e-02 1.N46 C = 174.245(D), Expected = 175.16, Std = 1.7600, ChiSquare = 6.0314e-01 1.N46 CA = 53.996(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.7048e-01 1.N46 CB = 37.210(D), Expected = 38.66, Std = 1.7800, ChiSquare = 4.1530e-01 1.N46 H = 7.668(D), Expected = 8.37, Std = 0.6500, ChiSquare = 2.8014e-01 1.N46 HA = 4.251(D), Expected = 4.70, Std = 0.3900, ChiSquare = 2.4962e-01 1.N46 HB2 = 3.127(D), Expected = 2.80, Std = 0.3400, ChiSquare = 3.3617e-01 1.N46 HB3 = 2.630(D), Expected = 2.78, Std = 0.3400, ChiSquare = 6.5909e-01 1.N46 HD21 = 7.302(D), Expected = 7.27, Std = 0.5200, ChiSquare = 9.5093e-01 1.N46 HD22 = 6.615(D), Expected = 7.20, Std = 0.5200, ChiSquare = 2.6059e-01 1.N46 N = 117.200(D), Expected = 119.13, Std = 4.4200, ChiSquare = 6.6236e-01 1.N46 ND2 = 111.300(D), Expected = 112.83, Std = 2.6000, ChiSquare = 5.5622e-01 1.Y47 C = 174.526(D), Expected = 175.39, Std = 1.8900, ChiSquare = 6.4757e-01 1.Y47 CA = 58.507(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.5365e-01 1.Y47 CB = 39.650(D), Expected = 39.16, Std = 2.2300, ChiSquare = 8.2608e-01 1.Y47 H = 7.991(D), Expected = 8.37, Std = 0.7500, ChiSquare = 6.1332e-01 1.Y47 HA = 4.180(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.2164e-01 1.Y47 HB2 = 2.595(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.9457e-01 1.Y47 HB3 = 2.420(D), Expected = 2.91, Std = 0.3700, ChiSquare = 1.8540e-01 1.Y47 HD1 = 6.720(D), Expected = 6.87, Std = 0.6500, ChiSquare = 8.1749e-01 1.Y47 HD2 = 6.720(D), Expected = 6.86, Std = 0.6800, ChiSquare = 8.3688e-01 1.Y47 HE1 = 6.720(D), Expected = 6.64, Std = 0.5800, ChiSquare = 8.9030e-01 1.Y47 HH = 9.525(D), Expected = 9.25, Std = 1.3400, ChiSquare = 8.3740e-01 1.Y47 N = 116.433(D), Expected = 120.79, Std = 4.6900, ChiSquare = 3.5289e-01 1.I48 C = 174.526(D), Expected = 175.82, Std = 1.9500, ChiSquare = 5.0695e-01 1.I48 CA = 57.956(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.9115e-01 1.I48 CB = 41.100(D), Expected = 38.58, Std = 2.0900, ChiSquare = 2.2792e-01 1.I48 CG1 = 26.800(D), Expected = 27.65, Std = 2.3200, ChiSquare = 7.1408e-01 1.I48 CG2 = 16.600(D), Expected = 17.36, Std = 1.6000, ChiSquare = 6.3479e-01 1.I48 CD1 = 12.700(D), Expected = 13.41, Std = 1.9100, ChiSquare = 7.1010e-01 1.I48 H = 7.493(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.8002e-01 1.I48 HA = 3.950(D), Expected = 4.20, Std = 0.5600, ChiSquare = 6.5529e-01 1.I48 HB = 1.510(D), Expected = 1.80, Std = 0.3100, ChiSquare = 3.4954e-01 1.I48 HG12 = 1.350(D), Expected = 1.30, Std = 0.4000, ChiSquare = 9.0052e-01 1.I48 HG13 = 0.923(D), Expected = 1.24, Std = 0.4000, ChiSquare = 4.2807e-01 1.I48 HG21 = 0.743(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.4418e-01 1.I48 HG22 = 0.743(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.4418e-01 1.I48 HG23 = 0.743(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.4418e-01 1.I48 HD11 = 0.750(D), Expected = 0.70, Std = 0.3000, ChiSquare = 8.6763e-01 1.I48 HD12 = 0.750(D), Expected = 0.70, Std = 0.3000, ChiSquare = 8.6763e-01 1.I48 HD13 = 0.750(D), Expected = 0.70, Std = 0.3000, ChiSquare = 8.6763e-01 1.I48 N = 130.420(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.1673e-02 1.P49 C = 176.508(D), Expected = 176.70, Std = 1.6900, ChiSquare = 9.0955e-01 1.P49 CA = 62.850(D), Expected = 63.30, Std = 1.6400, ChiSquare = 7.8378e-01 1.P49 HA = 4.080(D), Expected = 4.41, Std = 0.3600, ChiSquare = 3.5932e-01 1.P49 HB2 = 2.082(D), Expected = 2.05, Std = 0.3900, ChiSquare = 9.3461e-01 1.P49 HB3 = 1.447(D), Expected = 2.05, Std = 0.3900, ChiSquare = 1.2207e-01 1.P49 HG2 = 1.880(D), Expected = 1.93, Std = 0.3600, ChiSquare = 8.8954e-01 1.P49 HG3 = 1.758(D), Expected = 1.92, Std = 0.3700, ChiSquare = 6.6150e-01 1.P49 HD2 = 3.350(D), Expected = 3.64, Std = 0.3600, ChiSquare = 4.2050e-01 1.P49 HD3 = 3.010(D), Expected = 3.63, Std = 0.4000, ChiSquare = 1.2114e-01 1.N50 C = 175.987(D), Expected = 175.16, Std = 1.7600, ChiSquare = 6.3844e-01 1.N50 CA = 53.972(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.7995e-01 1.N50 CB = 38.941(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.7456e-01 1.N50 H = 9.354(D), Expected = 8.37, Std = 0.6500, ChiSquare = 1.3006e-01 1.N50 HA = 4.370(D), Expected = 4.70, Std = 0.3900, ChiSquare = 3.9747e-01 1.N50 HB2 = 2.990(D), Expected = 2.80, Std = 0.3400, ChiSquare = 5.7628e-01 1.N50 HB3 = 2.700(D), Expected = 2.78, Std = 0.3400, ChiSquare = 8.1398e-01 1.N50 HD21 = 6.768(D), Expected = 7.27, Std = 0.5200, ChiSquare = 3.3435e-01 1.N50 HD22 = 7.934(D), Expected = 7.20, Std = 0.5200, ChiSquare = 1.5809e-01 1.N50 N = 123.950(D), Expected = 119.13, Std = 4.4200, ChiSquare = 2.7549e-01 1.N50 ND2 = 113.506(D), Expected = 112.83, Std = 2.6000, ChiSquare = 7.9486e-01 1.R51 C = 179.707(D), Expected = 176.49, Std = 2.1600, ChiSquare = 1.3639e-01 1.R51 CA = 58.639(D), Expected = 56.95, Std = 2.4100, ChiSquare = 4.8341e-01 1.R51 CB = 29.570(D), Expected = 30.66, Std = 1.7700, ChiSquare = 5.3801e-01 1.R51 CG = 27.000(D), Expected = 27.31, Std = 1.6500, ChiSquare = 8.5097e-01 1.R51 CD = 43.100(D), Expected = 43.10, Std = 1.1000, ChiSquare = 1.0000e+00 1.R51 H = 8.395(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.9615e-01 1.R51 HA = 4.385(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.9381e-01 1.R51 HB2 = 1.850(D), Expected = 1.79, Std = 0.2800, ChiSquare = 8.3032e-01 1.R51 HB3 = 1.850(D), Expected = 1.78, Std = 0.2800, ChiSquare = 8.0259e-01 1.R51 HG2 = 1.711(D), Expected = 1.58, Std = 0.2700, ChiSquare = 6.2754e-01 1.R51 HG3 = 1.711(D), Expected = 1.58, Std = 0.2700, ChiSquare = 6.2754e-01 1.R51 HD2 = 3.174(D), Expected = 3.13, Std = 0.2300, ChiSquare = 8.4829e-01 1.R51 HD3 = 3.174(D), Expected = 3.13, Std = 0.2200, ChiSquare = 8.4148e-01 1.R51 HE = 7.050(D), Expected = 7.32, Std = 0.5200, ChiSquare = 6.0360e-01 1.R51 N = 128.586(D), Expected = 120.61, Std = 3.9000, ChiSquare = 4.0842e-02 1.R51 NE = 88.200(D), Expected = 89.80, Std = 12.8300, ChiSquare = 9.0076e-01 1.C52 C = 176.760(D), Expected = 174.78, Std = 1.9900, ChiSquare = 3.1975e-01 1.C52 CA = 55.190(D), Expected = 57.43, Std = 3.4100, ChiSquare = 5.1125e-01 1.C52 CB = 31.654(D), Expected = 34.15, Std = 6.7700, ChiSquare = 7.1236e-01 1.C52 H = 8.253(D), Expected = 8.42, Std = 0.6600, ChiSquare = 8.0024e-01 1.C52 HA = 4.732(D), Expected = 4.73, Std = 0.5700, ChiSquare = 9.9720e-01 1.C52 HB2 = 3.020(D), Expected = 2.95, Std = 0.4300, ChiSquare = 8.7068e-01 1.C52 HB3 = 2.670(D), Expected = 2.98, Std = 0.4500, ChiSquare = 4.9089e-01 1.C52 N = 117.554(D), Expected = 119.95, Std = 4.7900, ChiSquare = 6.1693e-01 1.A53 C = 180.337(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.4452e-01 1.A53 CA = 55.584(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.3932e-01 1.A53 CB = 18.660(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.9678e-01 1.A53 H = 7.935(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.5873e-01 1.A53 HA = 3.925(D), Expected = 4.26, Std = 0.4200, ChiSquare = 4.2509e-01 1.A53 HB1 = 1.767(D), Expected = 1.38, Std = 0.2500, ChiSquare = 1.2162e-01 1.A53 HB2 = 1.767(D), Expected = 1.38, Std = 0.2500, ChiSquare = 1.2162e-01 1.A53 HB3 = 1.767(D), Expected = 1.38, Std = 0.2500, ChiSquare = 1.2162e-01 1.A53 N = 124.942(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.4358e-01 1.Q54 C = 178.361(D), Expected = 176.39, Std = 1.9600, ChiSquare = 3.1460e-01 1.Q54 CA = 59.681(D), Expected = 56.62, Std = 2.1900, ChiSquare = 1.6220e-01 1.Q54 CB = 29.870(D), Expected = 29.10, Std = 1.9700, ChiSquare = 6.9590e-01 1.Q54 CG = 34.000(D), Expected = 33.72, Std = 1.1000, ChiSquare = 7.9907e-01 1.Q54 H = 7.623(D), Expected = 8.22, Std = 0.6200, ChiSquare = 3.3560e-01 1.Q54 HA = 3.960(D), Expected = 4.28, Std = 0.4400, ChiSquare = 4.6706e-01 1.Q54 HB2 = 1.803(D), Expected = 2.05, Std = 0.2800, ChiSquare = 3.7770e-01 1.Q54 HB3 = 2.052(D), Expected = 2.04, Std = 0.2900, ChiSquare = 9.6699e-01 1.Q54 HG2 = 2.630(D), Expected = 2.32, Std = 0.2900, ChiSquare = 2.8509e-01 1.Q54 HG3 = 2.390(D), Expected = 2.32, Std = 0.2900, ChiSquare = 8.0926e-01 1.Q54 HE21 = 6.548(D), Expected = 7.17, Std = 0.4600, ChiSquare = 1.7632e-01 1.Q54 HE22 = 8.253(D), Expected = 7.07, Std = 0.4900, ChiSquare = 1.5766e-02 1.Q54 N = 113.506(D), Expected = 119.92, Std = 4.0100, ChiSquare = 1.0971e-01 1.Q54 NE2 = 113.884(D), Expected = 111.81, Std = 2.2000, ChiSquare = 3.4582e-01 1.Q55 C = 179.408(D), Expected = 176.39, Std = 1.9600, ChiSquare = 1.2361e-01 1.Q55 CA = 58.799(D), Expected = 56.62, Std = 2.1900, ChiSquare = 3.1975e-01 1.Q55 CB = 29.740(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.4528e-01 1.Q55 CG = 34.600(D), Expected = 33.72, Std = 1.1000, ChiSquare = 4.2371e-01 1.Q55 H = 8.180(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.4856e-01 1.Q55 HA = 3.955(D), Expected = 4.28, Std = 0.4400, ChiSquare = 4.6013e-01 1.Q55 HB2 = 2.190(D), Expected = 2.05, Std = 0.2800, ChiSquare = 6.1707e-01 1.Q55 HB3 = 1.917(D), Expected = 2.04, Std = 0.2900, ChiSquare = 6.7146e-01 1.Q55 HG2 = 2.450(D), Expected = 2.32, Std = 0.2900, ChiSquare = 6.5395e-01 1.Q55 HG3 = 2.246(D), Expected = 2.32, Std = 0.2900, ChiSquare = 7.9859e-01 1.Q55 HE21 = 6.668(D), Expected = 7.17, Std = 0.4600, ChiSquare = 2.7514e-01 1.Q55 HE22 = 7.304(D), Expected = 7.07, Std = 0.4900, ChiSquare = 6.3297e-01 1.Q55 N = 118.103(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.5046e-01 1.Q55 NE2 = 112.300(D), Expected = 111.81, Std = 2.2000, ChiSquare = 8.2375e-01 1.L56 C = 177.776(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.9976e-01 1.L56 CA = 57.686(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.5691e-01 1.L56 CB = 42.666(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.7356e-01 1.L56 CG = 26.300(D), Expected = 26.77, Std = 1.2500, ChiSquare = 7.0692e-01 1.L56 CD1 = 23.900(D), Expected = 24.73, Std = 1.7100, ChiSquare = 6.2741e-01 1.L56 CD2 = 24.160(D), Expected = 24.10, Std = 1.7800, ChiSquare = 9.7311e-01 1.L56 H = 8.162(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.2890e-01 1.L56 HA = 3.900(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.7153e-01 1.L56 HB2 = 1.380(D), Expected = 1.63, Std = 0.3400, ChiSquare = 4.6216e-01 1.L56 HB3 = 1.090(D), Expected = 1.57, Std = 0.3600, ChiSquare = 1.8242e-01 1.L56 HG = 1.190(D), Expected = 1.54, Std = 0.3300, ChiSquare = 2.8887e-01 1.L56 HD11 = 0.590(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0499e-01 1.L56 HD12 = 0.590(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0499e-01 1.L56 HD13 = 0.590(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0499e-01 1.L56 HD21 = 0.050(D), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1222e-02 1.L56 HD22 = 0.050(D), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1222e-02 1.L56 HD23 = 0.050(D), Expected = 0.76, Std = 0.2800, ChiSquare = 1.1222e-02 1.L56 N = 120.731(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.5893e-01 1.A57 C = 178.383(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.8914e-01 1.A57 CA = 53.214(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.7909e-01 1.A57 CB = 21.450(D), Expected = 18.90, Std = 1.8500, ChiSquare = 1.6809e-01 1.A57 H = 6.583(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0389e-03 1.A57 HA = 4.178(D), Expected = 4.26, Std = 0.4200, ChiSquare = 8.4521e-01 1.A57 HB1 = 1.387(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.7766e-01 1.A57 HB2 = 1.387(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.7766e-01 1.A57 HB3 = 1.387(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.7766e-01 1.A57 N = 116.746(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.9700e-02 1.G58 C = 174.579(D), Expected = 174.04, Std = 1.9400, ChiSquare = 7.8114e-01 1.G58 CA = 45.389(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.6686e-01 1.G58 H = 7.270(D), Expected = 8.34, Std = 0.7400, ChiSquare = 1.4819e-01 1.G58 HA2 = 4.100(D), Expected = 3.95, Std = 0.4000, ChiSquare = 7.0766e-01 1.G58 HA3 = 3.840(D), Expected = 3.93, Std = 0.4000, ChiSquare = 8.2198e-01 1.G58 N = 102.875(D), Expected = 109.91, Std = 4.2900, ChiSquare = 1.0103e-01 1.K59 C = 176.798(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.6904e-01 1.K59 CA = 56.507(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.8234e-01 1.K59 CB = 33.000(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.2795e-01 1.K59 CG = 24.500(D), Expected = 24.91, Std = 1.3100, ChiSquare = 7.5430e-01 1.K59 CD = 29.100(D), Expected = 28.78, Std = 1.3900, ChiSquare = 8.1792e-01 1.K59 CE = 42.100(D), Expected = 41.78, Std = 0.9800, ChiSquare = 7.4402e-01 1.K59 H = 8.225(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.9377e-01 1.K59 HA = 4.290(D), Expected = 4.28, Std = 0.4500, ChiSquare = 9.8227e-01 1.K59 HB2 = 1.768(D), Expected = 1.79, Std = 0.2500, ChiSquare = 9.2988e-01 1.K59 HB3 = 1.647(D), Expected = 1.78, Std = 0.2600, ChiSquare = 6.0897e-01 1.K59 HG2 = 1.360(D), Expected = 1.38, Std = 0.2700, ChiSquare = 9.4095e-01 1.K59 HG3 = 1.360(D), Expected = 1.37, Std = 0.2900, ChiSquare = 9.7249e-01 1.K59 HD2 = 1.630(D), Expected = 1.61, Std = 0.2500, ChiSquare = 9.3624e-01 1.K59 HD3 = 1.630(D), Expected = 1.61, Std = 0.2500, ChiSquare = 9.3624e-01 1.K59 HE2 = 2.990(D), Expected = 2.93, Std = 0.2000, ChiSquare = 7.6418e-01 1.K59 HE3 = 2.910(D), Expected = 2.93, Std = 0.2000, ChiSquare = 9.2034e-01 1.K59 N = 120.906(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.5072e-01 1.Q60 CA = 55.934(D), Expected = 56.62, Std = 2.1900, ChiSquare = 7.5410e-01 1.Q60 CB = 29.500(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.3910e-01 1.Q60 CG = 33.700(D), Expected = 33.72, Std = 1.1000, ChiSquare = 9.8549e-01 1.Q60 H = 8.393(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.8022e-01 1.Q60 HA = 4.330(D), Expected = 4.28, Std = 0.4400, ChiSquare = 9.0953e-01 1.Q60 HB2 = 2.100(D), Expected = 2.05, Std = 0.2800, ChiSquare = 8.5827e-01 1.Q60 HB3 = 1.910(D), Expected = 2.04, Std = 0.2900, ChiSquare = 6.5395e-01 1.Q60 HG2 = 2.340(D), Expected = 2.32, Std = 0.2900, ChiSquare = 9.4502e-01 1.Q60 HG3 = 2.340(D), Expected = 2.32, Std = 0.2900, ChiSquare = 9.4502e-01 1.Q60 HE21 = 6.730(D), Expected = 7.17, Std = 0.4600, ChiSquare = 3.3881e-01 1.Q60 HE22 = 7.450(D), Expected = 7.07, Std = 0.4900, ChiSquare = 4.3804e-01 1.Q60 N = 122.497(D), Expected = 119.92, Std = 4.0100, ChiSquare = 5.2046e-01 1.Q60 NE2 = 112.400(D), Expected = 111.81, Std = 2.2000, ChiSquare = 7.8856e-01 1.S61 CA = 55.920(D), Expected = 58.57, Std = 2.1200, ChiSquare = 2.1130e-01 1.S61 CB = 63.800(D), Expected = 63.80, Std = 1.5700, ChiSquare = 1.0000e+00 1.S61 H = 8.237(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.3188e-01 1.S61 HA = 4.430(D), Expected = 4.51, Std = 0.4300, ChiSquare = 8.5241e-01 1.S61 HB2 = 3.760(D), Expected = 3.88, Std = 0.2900, ChiSquare = 6.7903e-01 1.S61 HB3 = 3.760(D), Expected = 3.87, Std = 0.3100, ChiSquare = 7.2271e-01 1.S61 N = 117.756(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.1242e-01 1.L62 CA = 56.700(D), Expected = 55.65, Std = 2.2100, ChiSquare = 6.3471e-01 1.L62 CB = 43.100(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.9471e-01 1.L62 CG = 27.300(D), Expected = 26.77, Std = 1.2500, ChiSquare = 6.7157e-01 1.L62 CD1 = 25.100(D), Expected = 24.73, Std = 1.7100, ChiSquare = 8.2870e-01 1.L62 CD2 = 23.700(D), Expected = 24.10, Std = 1.7800, ChiSquare = 8.2220e-01 1.L62 H = 7.783(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.0139e-01 1.L62 HA = 4.160(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.3354e-01 1.L62 HB2 = 1.540(D), Expected = 1.63, Std = 0.3400, ChiSquare = 7.9124e-01 1.L62 HB3 = 1.540(D), Expected = 1.57, Std = 0.3600, ChiSquare = 9.3359e-01 1.L62 HG = 1.490(D), Expected = 1.54, Std = 0.3300, ChiSquare = 8.7957e-01 1.L62 HD11 = 0.860(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.3888e-01 1.L62 HD12 = 0.860(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.3888e-01 1.L62 HD13 = 0.860(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.3888e-01 1.L62 HD21 = 0.810(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5827e-01 1.L62 HD22 = 0.810(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5827e-01 1.L62 HD23 = 0.810(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5827e-01 1.L62 N = 130.236(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.2509e-02