Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.R2 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 56.100 CB :: 78.580(A) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 4.340 HB2 :: 1.880 HB3 :: 1.770 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.500 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (CA > CB : 0.9995) 1.A3 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.74 T 0.19 C 0.05 C Shift Assignments>> CA :: 53.100 CB :: 66.780(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.460 HA :: 4.250 HB1 :: 1.420 HB2 :: 1.420 HB3 :: 1.420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.400 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (CA > CB : 0.9995) 1.Q4 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 56.200 CB :: 77.080(A) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.460 HA :: 4.290 HB2 :: 2.110 HB3 :: 2.000 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (CA > CB : 1.0000) 1.D5 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 W 0.46 C Shift Assignments>> CA :: 54.500 CB :: 89.080(A) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.240 HA :: 4.580 HB2 :: 2.700 HB3 :: 2.700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.100 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (CA > CB : 0.9989) 1.K6 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 56.500 CB :: 80.680(A) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.160 HA :: 4.280 HB2 :: 1.850 HB3 :: 1.770 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CB : 1.0000) 1.K7 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 56.500 CB :: 80.680(A) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.300 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CB : 1.0000) 1.R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N9 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.99 C Shift Assignments>> CA :: 53.300 CB :: 86.580(A) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.690 HB2 :: 2.820 HB3 :: 2.820 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 112.600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (CA > CB : 0.9995) 1.E10 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.E57 1.E57 C Shift Assignments>> CA :: 56.800 CB :: 77.980(A) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.430 HA :: 4.290 HB2 :: 2.080 HB3 :: 1.950 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.200 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CA > CB : 1.0000) 1.L11 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 55.400 CB :: 90.280(A) CG :: 74.780(A) CD1 :: 72.880(A) CD2 :: 71.180(A) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.250 HA :: 4.340 HB2 :: 1.690 HB3 :: 1.590 HG :: 1.630 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.900 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG : 0.9996) (CA > CD1 : 0.9996) (CA > CD2 : 0.9996) 1.G12 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 92.980(A) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.240 HA2 :: 3.910 HA3 :: 3.910 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.500 Ave N Shift Values>> N :: 109.67(3.87) 1.L13 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 53.000 CB :: 89.180(A) CG :: 75.280(A) CD1 :: 70.580(A) CD2 :: 73.480(A) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.030 HA :: 4.580 HB2 :: 1.530 HB3 :: 1.450 HG :: 1.620 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.700 HD22 :: 0.700 HD23 :: 0.700 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.100 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG : 0.9996) (CA > CD1 : 0.9996) (CA > CD2 : 0.9996) 1.P14 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 1 C Shift Assignments>> CA :: 63.000 CB :: 80.180(A) CG :: 75.180(A) CD :: 98.180(A) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.520 HB2 :: 2.330 HB3 :: 1.910 HG2 :: 1.970 HG3 :: 1.970 HD2 :: 3.820 HD3 :: 3.550 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CG : 1.0000) (CA > CD : 0.9976) 1.K15 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> CA :: 55.800 CB :: 82.680(A) CG :: 73.880(A) CD :: 77.480(A) CE :: 89.580(A) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.300 HA :: 5.040 HB2 :: 1.910 HB3 :: 1.630 HG2 :: 1.700 HG3 :: 1.360 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.990 HE3 :: 2.990 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) (CA > CD : 0.9995) (CA > CE : 0.9995) 1.M16 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 52.900 CB :: 83.380(A) CG :: 81.180(A) CE :: 66.680(A) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.080 HA :: 5.210 HB2 :: 1.880 HB3 :: 1.720 HG2 :: 2.750 HG3 :: 2.470 HE1 :: 2.090 HE2 :: 2.090 HE3 :: 2.090 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.000 Ave N Shift Values>> N :: 120.09(3.57) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) (CA > CE : 1.0000) 1.E17 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.99 C Shift Assignments>> CA :: 54.000 CB :: 81.480(A) CG :: 84.480(A) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.540 HA :: 5.100 HB2 :: 2.010 HB3 :: 1.860 HG2 :: 2.040 HG3 :: 2.000 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.800 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.V18 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 1 C Shift Assignments>> CA :: 63.200 CB :: 79.980(A) CG1 :: 71.980(A) CG2 :: 71.180(A) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.920 HA :: 3.970 HB :: 2.200 HG11 :: 0.840 HG12 :: 0.840 HG13 :: 0.840 HG21 :: 0.540 HG22 :: 0.540 HG23 :: 0.540 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.100 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) 1.F19 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 G 0.14 C Shift Assignments>> CA :: 56.700 CB :: 88.680(A) CD1 :: 83.920(A) CD2 :: 83.920(A) CE1 :: 83.720(A) CE2 :: 83.720(A) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.800 HA :: 5.060 HB2 :: 3.200 HB3 :: 2.560 HD1 :: 6.910 HD2 :: 6.910 HE1 :: 7.200 HE2 :: 7.200 HZ :: 7.320 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.800 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CA > CB : 0.9994) (CD1 > CB : 1.0000) (CD2 > CB : 1.0000) (CE1 > CB : 0.9982) (CE2 > CB : 0.9973) 1.Q20 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.13 C Shift Assignments>> CA :: 54.500 CB :: 79.680(A) CG :: 80.980(A) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.200 HA :: 4.410 HB2 :: 1.590 HB3 :: 1.500 HG2 :: 2.310 HG3 :: 2.210 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.300 NE2 :: 109.900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.E21 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 56.100 CB :: 77.580(A) CG :: 82.880(A) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.710 HA :: 3.920 HB2 :: 2.000 HB3 :: 2.000 HG2 :: 2.150 HG3 :: 2.150 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.600 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.NH21 Overall Status: Residue type NH2 not supported. 1.Y22 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 58.500 CB :: 89.580(A) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.500 HA :: 4.670 HB2 :: 3.090 HB3 :: 2.830 HD1 :: 7.090 HD2 :: 7.090 HE1 :: 7.260 HE2 :: 7.260 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.000 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (CA > CB : 0.9986) 1.Y23 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 54.500 CB :: 85.180(A) CD1 :: 84.820(A) CD2 :: 84.820(A) CE1 :: 70.120(A) CE2 :: 70.120(A) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.800 HA :: 4.720 HB2 :: 3.220 HB3 :: 2.790 HD1 :: 6.980 HD2 :: 6.980 HE1 :: 6.750 HE2 :: 6.750 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.100 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (CA > CB : 0.9986) (CD1 > CB : 1.0000) (CD2 > CB : 1.0000) (CE1 > CB : 1.0000) (CE2 > CB : 1.0000) 1.G24 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 92.180(A) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 4.400(S) HA2 :: 2.410(S) HA3 :: 2.410(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.500 Ave N Shift Values>> N :: 109.67(3.87) 1.I25 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 57.000 CB :: 87.680(A) CG1 :: 74.380(A) CG2 :: 64.480(A) CD1 :: 59.780(A) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.450 HA :: 4.260 HB :: 1.680 HG12 :: 1.270 HG13 :: 0.990 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 HD11 :: 0.790 HD12 :: 0.790 HD13 :: 0.790 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.600 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG1 : 0.9988) (CA > CG2 : 1.0000) (CA > CD1 : 0.9988) 1.P26 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 1 C Shift Assignments>> CA :: 62.400 CB :: 81.080(A) CG :: 72.580(A) CD :: 98.280(A) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.140 HB2 :: 2.620 HB3 :: 2.400 HG2 :: 2.210 HG3 :: 2.210 HD2 :: 3.870 HD3 :: 3.670 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CG : 1.0000) (CA > CD : 0.9976) 1.P27 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 1 C Shift Assignments>> CA :: 61.300 CB :: 78.080(A) CG :: 74.680(A) CD :: 98.080(A) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.700 HB2 :: 2.300 HB3 :: 1.910 HG2 :: 2.130 HG3 :: 2.040 HD2 :: 3.800 HD3 :: 3.800 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CG : 1.0000) (CA > CD : 0.9976) 1.P28 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 1 C Shift Assignments>> CA :: 59.900 CB :: 77.680(A) CG :: 75.380(A) CD :: 97.580(A) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 2.370(S) HB2 :: 1.420 HB3 :: 1.290 HG2 :: 2.110 HG3 :: 2.110 HD2 :: 4.120 HD3 :: 3.680 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CG : 1.0000) (CA > CD : 0.9976) 1.P29 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 1 C Shift Assignments>> CA :: 62.500 CB :: 79.380(A) CG :: 75.280(A) CD :: 96.780(A) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.030 HB2 :: 2.010 HB3 :: 1.150 HG2 :: 1.600 HG3 :: 1.390 HD2 :: 2.220(S) HD3 :: 1.680(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CG : 1.0000) (CA > CD : 0.9976) 1.G30 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 94.480(A) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.290 HA2 :: 3.650 HA3 :: 3.650 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.000 Ave N Shift Values>> N :: 109.67(3.87) 1.A31 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.96 C 0.02 T 0.01 C Shift Assignments>> CA :: 52.800 CB :: 66.080(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.720 HA :: 3.960 HB1 :: 0.910 HB2 :: 0.910 HB3 :: 0.910 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.000 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (CA > CB : 0.9995) 1.F32 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 56.900 CB :: 84.380(A) CD1 :: 82.620(A) CD2 :: 82.620(A) CE1 :: 82.620(A) CE2 :: 82.620(A) CZ :: 82.020(A) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.450 HA :: 4.000 HB2 :: 2.070 HB3 :: 1.270(S) HD1 :: 6.130 HD2 :: 6.130 HE1 :: 6.910 HE2 :: 6.910 HZ :: 6.910 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.200 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CA > CB : 0.9994) (CD1 > CB : 1.0000) (CD2 > CB : 1.0000) (CE1 > CB : 0.9982) (CE2 > CB : 0.9973) (CZ > CB : 1.0000) 1.G33 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 92.680(A) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.600 HA2 :: 4.270 HA3 :: 3.880 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.300 Ave N Shift Values>> N :: 109.67(3.87) 1.G34 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 92.880(A) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.570 HA2 :: 4.330 HA3 :: 3.950 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.800 Ave N Shift Values>> N :: 109.67(3.87) 1.F35 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 56.200 CB :: 88.780(A) CD1 :: 84.220(A) CD2 :: 84.220(A) CE1 :: 70.420(A) CE2 :: 70.420(A) CZ :: 71.420(A) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.940 HA :: 5.810 HB2 :: 3.900 HB3 :: 3.160 HD1 :: 7.180 HD2 :: 7.180 HE1 :: 7.030 HE2 :: 7.030 HZ :: 7.800 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.700 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CA > CB : 0.9994) (CD1 > CB : 1.0000) (CD2 > CB : 1.0000) (CE1 > CB : 0.9982) (CE2 > CB : 0.9973) (CZ > CB : 1.0000) 1.L36 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 G 0.07 C Shift Assignments>> CA :: 52.600 CB :: 93.180(A) CG :: 73.880(A) CD1 :: 73.880(A) CD2 :: 71.980(A) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.070 HA :: 4.570 HB2 :: 1.950 HB3 :: 0.930 HG :: 1.380 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.600 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG : 0.9996) (CA > CD1 : 0.9996) (CA > CD2 : 0.9996) 1.R37 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 57.000 CB :: 78.280(A) CG :: 76.580(A) CD :: 91.280(A) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.430 HA :: 4.590 HB2 :: 1.870 HB3 :: 1.870 HG2 :: 1.890 HG3 :: 1.580 HD2 :: 3.340 HD3 :: 3.340 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.700 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (CA > CB : 0.9995) (CA > CG : 0.9993) (CA > CD : 1.0000) 1.L38 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 53.800 CB :: 92.980(A) CG :: 73.080(A) CD1 :: 70.180(A) CD2 :: 72.980(A) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.330 HA :: 4.510 HB2 :: 1.840 HB3 :: 1.490 HG :: 2.030 HD11 :: 0.360 HD12 :: 0.360 HD13 :: 0.360 HD21 :: 0.480 HD22 :: 0.480 HD23 :: 0.480 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.200 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG : 0.9996) (CA > CD1 : 0.9996) (CA > CD2 : 0.9996) 1.N39 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 1 C Shift Assignments>> CA :: 97.680(A) CB :: 87.580(A) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.590 HA :: 5.260 HB2 :: 2.810 HB3 :: 2.570 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.000 ND2 :: 116.900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P40 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 1 C Shift Assignments>> CA :: 64.300 CB :: 79.080(A) CG :: 76.180(A) CD :: 98.380(A) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.640 HB2 :: 2.130 HB3 :: 1.920 HG2 :: 2.320 HG3 :: 1.630 HD2 :: 3.740 HD3 :: 3.630 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CG : 1.0000) (CA > CD : 0.9976) 1.G41 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 92.580(A) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.790 HA2 :: 4.480 HA3 :: 3.690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.600 Ave N Shift Values>> N :: 109.67(3.87) 1.D42 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 55.600 CB :: 88.880(A) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.140 HA :: 4.420 HB2 :: 2.680 HB3 :: 2.680 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.200 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (CA > CB : 0.9989) 1.I43 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 1 C Shift Assignments>> CA :: 58.700 CB :: 84.880(A) CG1 :: 74.780(A) CG2 :: 65.480(A) CD1 :: 58.880(A) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.500 HA :: 4.780 HB :: 1.720 HG12 :: 1.220 HG13 :: 1.030 HG21 :: 0.570 HG22 :: 0.570 HG23 :: 0.570 HD11 :: 0.300 HD12 :: 0.300 HD13 :: 0.300 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.600 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG1 : 0.9988) (CA > CG2 : 1.0000) (CA > CD1 : 0.9988) 1.V44 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 1 C Shift Assignments>> CA :: 59.600 CB :: 83.080(A) CG1 :: 69.380(A) CG2 :: 68.880(A) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.360 HA :: 4.880 HB :: 1.520 HG11 :: 0.410 HG12 :: 0.410 HG13 :: 0.410 HG21 :: 0.550 HG22 :: 0.550 HG23 :: 0.550 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.400 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) 1.E45 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.97 C 0.02 C Shift Assignments>> CA :: 54.000 CB :: 79.380(A) CG :: 84.480(A) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.980 HA :: 4.820 HB2 :: 1.950 HB3 :: 1.840 HG2 :: 2.110 HG3 :: 2.110 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.800 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.L46 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 55.600 CB :: 90.280(A) CG :: 73.880(A) CD1 :: 72.180(A) CD2 :: 73.280(A) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.640 HA :: 4.460 HB2 :: 1.640 HB3 :: 1.120 HG :: 1.600 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.470 HD22 :: 0.470 HD23 :: 0.470 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.100 Ave N Shift Values>> N :: 121.86(3.9) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG : 0.9996) (CA > CD1 : 0.9996) (CA > CD2 : 0.9996) 1.T47 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 1 C Shift Assignments>> CA :: 62.700 CB :: 68.300 CG2 :: 70.780(A) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.000 HA :: 4.300 HB :: 4.020 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.900 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (CA > CG2 : 0.9994) (CB > CG2 : 1.0000) 1.K48 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 57.100 CB :: 82.980(A) CG :: 77.380(A) CD :: 73.080(A) CE :: 89.980(A) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.500 HA :: 4.280 HB2 :: 1.800 HB3 :: 1.580 HG2 :: 1.830 HG3 :: 1.650 HD2 :: 1.360 HD3 :: 1.360 HE2 :: 3.110 HE3 :: 3.110 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) (CA > CD : 0.9995) (CA > CE : 0.9995) 1.A49 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.98 C 0.01 C Shift Assignments>> CA :: 51.600 CB :: 67.280(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.520 HA :: 4.060 HB1 :: 0.260(S) HB2 :: 0.260(S) HB3 :: 0.260(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.700 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (CA > CB : 0.9995) 1.E50 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 55.800 CB :: 78.280(A) CG :: 84.180(A) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.350 HA :: 4.400 HB2 :: 2.020 HB3 :: 1.720 HG2 :: 2.250 HG3 :: 2.250 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.500 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.A51 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 54.500 CB :: 66.780(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.740 HA :: 4.290 HB1 :: 1.400 HB2 :: 1.400 HB3 :: 1.400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.400 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (CA > CB : 0.9995) 1.E52 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 57.100 CB :: 77.080(A) CG :: 84.180(A) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.800 HA :: 4.260 HB2 :: 2.110 HB3 :: 2.030 HG2 :: 2.180 HG3 :: 2.180 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.000 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.H53 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 55.400 CB :: 80.780(A) CD2 :: 70.820(A) CE1 :: 90.720(A) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.980 HA :: 4.940 HB2 :: 3.530 HB3 :: 3.530 HD2 :: 7.150 HE1 :: 7.920 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.600 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (CA > CB : 1.0000) (CD2 > CB : 1.0000) 1.N54 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.99 C Shift Assignments>> CA :: 53.700 CB :: 86.480(A) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.630 HB2 :: 2.620 HB3 :: 2.620 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 112.300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (CA > CB : 0.9995) 1.W55 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 56.400 CB :: 78.780(A) CD1 :: 79.120(A) CE3 :: 71.420(A) CZ2 :: 66.620(A) CZ3 :: 73.220(A) CH2 :: 77.320(A) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.610 HA :: 4.690 HB2 :: 3.030 HB3 :: 2.560 HD1 :: 7.200 HE3 :: 7.220 HZ2 :: 7.270 HZ3 :: 7.040 HH2 :: 7.100 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.900 NE1 :: 128.700 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (CA > CB : 1.0000) (CE3 > CB : 1.0000) (CZ2 > CB : 1.0000) (CZ3 > CB : 1.0000) (CH2 > CB : 1.0000) 1.W56 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 53.000 CB :: 82.080(A) CD1 :: 76.020(A) CE3 :: 74.720(A) CZ2 :: 66.720(A) CZ3 :: 72.620(A) CH2 :: 76.620(A) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.650 HA :: 5.230 HB2 :: 2.830 HB3 :: 2.070 HD1 :: 7.300 HE3 :: 6.960 HZ2 :: 7.410 HZ3 :: 7.230 HH2 :: 7.170 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.800 NE1 :: 127.600 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (CA > CB : 1.0000) (CD1 > CB : 1.0000) (CE3 > CB : 1.0000) (CZ2 > CB : 1.0000) (CZ3 > CB : 1.0000) (CH2 > CB : 1.0000) 1.E57 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.99 HN Overlap>> 1.E10 1.E10 C Shift Assignments>> CA :: 52.800 CB :: 79.980(A) CG :: 84.580(A) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.460 HA :: 4.330 HB2 :: 1.220(S) HB3 :: -0.790(A) HG2 :: 1.540(S) HG3 :: 0.580(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.300 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.G58 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 93.880(A) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.670 HA2 :: 4.890 HA3 :: 3.790 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.900 Ave N Shift Values>> N :: 109.67(3.87) 1.R59 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.28 C Shift Assignments>> CA :: 52.900 CB :: 82.180(A) CG :: 75.280(A) CD :: 90.580(A) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.050 HA :: 5.390 HB2 :: 1.870 HB3 :: 1.510 HG2 :: 1.270 HG3 :: 1.030 HD2 :: 3.240 HD3 :: 3.060 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.300 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (CA > CB : 0.9995) (CA > CG : 0.9993) (CA > CD : 1.0000) 1.N60 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.99 C Shift Assignments>> CA :: 53.200 CB :: 86.680(A) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.110 HA :: 4.620 HB2 :: 3.460 HB3 :: 2.430 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.400 ND2 :: 112.600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (CA > CB : 0.9995) 1.T61 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 1 C Shift Assignments>> CA :: 64.500 CB :: 68.900 CG2 :: 69.680(A) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.050 HA :: 4.090 HB :: 4.350 HG21 :: 1.250 HG22 :: 1.250 HG23 :: 1.250 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.800 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (CA > CG2 : 0.9994) (CB > CG2 : 1.0000) 1.A62 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.01 P 0.01 C Shift Assignments>> CA :: 54.100 CB :: 67.180(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.760 HA :: 4.420 HB1 :: 1.540 HB2 :: 1.540 HB3 :: 1.540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.700 Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (CA > CB : 0.9995) 1.T63 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 1 C Shift Assignments>> CA :: 60.900 CB :: 71.200 CG2 :: 68.980(A) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.000 HA :: 4.390 HB :: 4.340 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 104.400 Ave N Shift Values>> N :: 115.42(4.75) SRO Rule Breaks>> (CA > CG2 : 0.9994) 1.N64 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 W 0.44 C Shift Assignments>> CA :: 55.100 CB :: 85.680(A) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.770 HA :: 4.220 HB2 :: 3.180 HB3 :: 2.870 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.400 ND2 :: 112.300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (CA > CB : 0.9995) 1.E65 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 56.300 CB :: 79.380(A) CG :: 84.480(A) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.490 HA :: 4.400 HB2 :: 2.010 HB3 :: 1.820 HG2 :: 2.250 HG3 :: 2.250 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.600 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CA > CB : 1.0000) (CA > CG : 1.0000) 1.V66 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 1 HN Overlap>> 1.K15 1.K15 C Shift Assignments>> CA :: 59.800 CB :: 83.080(A) CG1 :: 68.680(A) CG2 :: 68.480(A) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.350 HA :: 5.400 HB :: 1.830 HG11 :: 0.840 HG12 :: 0.840 HG13 :: 0.840 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.600 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) 1.G67 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 93.480(A) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.580 HA2 :: 4.240 HA3 :: 4.070 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.000 Ave N Shift Values>> N :: 109.67(3.87) 1.W68 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 57.100 CB :: 79.380(A) CD1 :: 78.920(A) CE3 :: 72.920(A) CZ2 :: 66.720(A) CZ3 :: 73.220(A) CH2 :: 76.720(A) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.980 HA :: 5.870 HB2 :: 3.240 HB3 :: 3.000 HD1 :: 7.530 HE3 :: 7.360 HZ2 :: 7.350 HZ3 :: 7.090 HH2 :: 7.020 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.000 NE1 :: 129.500 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (CA > CB : 1.0000) (CD1 > CB : 1.0000) (CE3 > CB : 1.0000) (CZ2 > CB : 1.0000) (CZ3 > CB : 1.0000) (CH2 > CB : 1.0000) 1.F69 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 G 0.25 C Shift Assignments>> CA :: 55.400 CB :: 86.580(A) CD1 :: 86.820(A) CD2 :: 86.820(A) CE1 :: 84.120(A) CE2 :: 84.120(A) CZ :: 80.400(A) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.450 HA :: 5.290 HB2 :: 3.240 HB3 :: 3.000 HD1 :: 7.030 HD2 :: 7.030 HE1 :: 7.290 HE2 :: 7.290 HZ :: 7.000 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.100 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (CA > CB : 0.9994) (CE1 > CB : 0.9982) (CE2 > CB : 0.9973) (CZ > CB : 1.0000) 1.P70 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 1 C Shift Assignments>> CA :: 61.100 CB :: 78.280(A) CG :: 75.080(A) CD :: 96.880(A) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.680 HB2 :: 1.500 HB3 :: 1.250 HG2 :: 1.230 HG3 :: 0.880 HD2 :: 2.440(S) HD3 :: 2.360 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CG : 1.0000) (CA > CD : 0.9976) 1.C71 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 59.200 CB :: 72.180(A) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.560 HA :: 3.370 HB2 :: 0.890(S) HB3 :: 0.630(S) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.400 Ave N Shift Values>> N :: 120.17(4.64) SRO Rule Breaks>> (CA > CB : 1.0000) 1.N72 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.99 C Shift Assignments>> CA :: 53.100 CB :: 84.680(A) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.490 HA :: 4.520 HB2 :: 3.170 HB3 :: 2.660 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.100 ND2 :: 109.200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (CA > CB : 0.9995) 1.R73 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 55.600 CB :: 78.280(A) CG :: 76.180(A) CD :: 90.080(A) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.200 HA :: 3.950 HB2 :: 2.540 HB3 :: 1.460 HG2 :: 1.710 HG3 :: 1.380 HD2 :: 2.940 HD3 :: 2.780 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.400 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (CA > CB : 0.9995) (CA > CG : 0.9993) (CA > CD : 1.0000) 1.V74 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 58.000 CB :: 83.580(A) CG1 :: 69.780(A) CG2 :: 67.480(A) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.370 HA :: 5.340 HB :: 2.080 HG11 :: 0.570 HG12 :: 0.570 HG13 :: 0.570 HG21 :: 1.170 HG22 :: 1.170 HG23 :: 1.170 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 107.400 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) 1.H75 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 G 0.02 C Shift Assignments>> CA :: 52.900 CB :: 79.180(A) CD2 :: 72.020(A) CE1 :: 89.620(A) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.000 HA :: 5.390 HB2 :: 3.270 HB3 :: 3.180 HD2 :: 7.110 HE1 :: 7.820 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (CA > CB : 1.0000) (CD2 > CB : 1.0000) 1.P76 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 1 C Shift Assignments>> CA :: 64.900 CB :: 79.880(A) CG :: 76.280(A) CD :: 98.580(A) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.950 HB2 :: 2.400 HB3 :: 1.830 HG2 :: 2.220 HG3 :: 1.950 HD2 :: 4.050 HD3 :: 3.660 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (CA > CB : 0.9989) (CA > CG : 1.0000) (CA > CD : 0.9976) 1.Y77 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 56.700 CB :: 86.780(A) CD1 :: 84.920(A) CD2 :: 84.920(A) CE1 :: 70.720(A) CE2 :: 70.720(A) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.560 HA :: 4.830 HB2 :: 2.810 HB3 :: 2.720 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 6.740 HE2 :: 6.740 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.300 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (CA > CB : 0.9986) (CD1 > CB : 1.0000) (CD2 > CB : 1.0000) (CE1 > CB : 1.0000) (CE2 > CB : 1.0000) 1.V78 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 1 C Shift Assignments>> CA :: 61.900 CB :: 80.580(A) CG1 :: 67.880(A) CG2 :: 68.880(A) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.150 HA :: 4.030 HB :: 1.940 HG11 :: 0.730 HG12 :: 0.730 HG13 :: 0.730 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.200 Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (CA > CB : 0.9997) (CA > CG1 : 0.9996) (CA > CG2 : 1.0000) 1.H79 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 57.200 CB :: 78.580(A) CD2 :: 72.820(A) CE1 :: 89.520(A) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.370 HA :: 4.240 HB2 :: 2.940 HB3 :: 2.830 HD2 :: 6.810 HE1 :: 8.000 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 127.600 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (CA > CB : 1.0000) (CD2 > CB : 1.0000) ########################################################################### Overall Results: #Consistent: 1 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 77 #Indeterminable: 0 Typing Results: #Consistent: 0 #Suspicious: 0 #Mistyped: 77 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 10 #Suspicious: 68 C Shift Results: #Consistent: 71 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 195 H Shift Results: #Consistent: 484 #Duplicate: 0 #Unknown: 0 #Suspicious: 16 #Anomalous: 1 N Shift Results: #Consistent: 77 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R2 Typing: Mistyped 1.R2 CB = 78.580(A), Expected = 30.70, Std = 1.8300, ChiSquare = 0.0000e+00 1.R2 SRO Rule Break>> CA > CB : 0.99954954954955 1.A3 Typing: Mistyped 1.A3 CB = 66.780(A), Expected = 19.01, Std = 1.8300, ChiSquare = 0.0000e+00 1.A3 SRO Rule Break>> CA > CB : 0.999452804377565 1.Q4 Typing: Mistyped 1.Q4 CB = 77.080(A), Expected = 29.19, Std = 1.8200, ChiSquare = 0.0000e+00 1.Q4 SRO Rule Break>> CA > CB : 1 1.D5 Typing: Mistyped 1.D5 CB = 89.080(A), Expected = 40.88, Std = 1.6200, ChiSquare = 0.0000e+00 1.D5 SRO Rule Break>> CA > CB : 0.998947737635917 1.K6 Typing: Mistyped 1.K6 CB = 80.680(A), Expected = 32.79, Std = 1.7800, ChiSquare = 0.0000e+00 1.K6 SRO Rule Break>> CA > CB : 1 1.K7 Typing: Mistyped 1.K7 CB = 80.680(A), Expected = 32.79, Std = 1.7800, ChiSquare = 0.0000e+00 1.K7 SRO Rule Break>> CA > CB : 1 1.N9 Typing: Mistyped 1.N9 CB = 86.580(A), Expected = 38.69, Std = 1.6900, ChiSquare = 0.0000e+00 1.N9 SRO Rule Break>> CA > CB : 0.999500748876685 1.E10 Typing: Mistyped 1.E10 CB = 77.980(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 1.E10 SRO Rule Break>> CA > CB : 1 1.L11 Typing: Mistyped 1.L11 CB = 90.280(A), Expected = 42.31, Std = 1.8800, ChiSquare = 0.0000e+00 1.L11 CG = 74.780(A), Expected = 26.78, Std = 1.1000, ChiSquare = 0.0000e+00 1.L11 CD1 = 72.880(A), Expected = 24.72, Std = 1.5900, ChiSquare = 0.0000e+00 1.L11 CD2 = 71.180(A), Expected = 24.05, Std = 1.7000, ChiSquare = 0.0000e+00 1.L11 SRO Rule Break>> CA > CB : 0.999742135121196 1.L11 SRO Rule Break>> CA > CG : 0.99959595959596 1.L11 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L11 SRO Rule Break>> CA > CD2 : 0.999623210248681 1.G12 Typing: Mistyped 1.G12 CA = 92.980(A), Expected = 45.35, Std = 1.3400, ChiSquare = 0.0000e+00 1.L13 Typing: Mistyped 1.L13 CB = 89.180(A), Expected = 42.31, Std = 1.8800, ChiSquare = 0.0000e+00 1.L13 CG = 75.280(A), Expected = 26.78, Std = 1.1000, ChiSquare = 0.0000e+00 1.L13 CD1 = 70.580(A), Expected = 24.72, Std = 1.5900, ChiSquare = 0.0000e+00 1.L13 CD2 = 73.480(A), Expected = 24.05, Std = 1.7000, ChiSquare = 0.0000e+00 1.L13 SRO Rule Break>> CA > CB : 0.999742135121196 1.L13 SRO Rule Break>> CA > CG : 0.99959595959596 1.L13 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L13 SRO Rule Break>> CA > CD2 : 0.999623210248681 1.P14 Typing: Mistyped 1.P14 CB = 80.180(A), Expected = 31.85, Std = 1.1800, ChiSquare = 0.0000e+00 1.P14 CG = 75.180(A), Expected = 27.17, Std = 1.0900, ChiSquare = 0.0000e+00 1.P14 CD = 98.180(A), Expected = 50.32, Std = 0.9900, ChiSquare = 0.0000e+00 1.P14 SRO Rule Break>> CA > CB : 0.998920669185105 1.P14 SRO Rule Break>> CA > CG : 1 1.P14 SRO Rule Break>> CA > CD : 0.997572815533981 1.K15 Typing: Mistyped 1.K15 CB = 82.680(A), Expected = 32.79, Std = 1.7800, ChiSquare = 0.0000e+00 1.K15 CG = 73.880(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K15 CD = 77.480(A), Expected = 28.96, Std = 1.0800, ChiSquare = 0.0000e+00 1.K15 CE = 89.580(A), Expected = 41.89, Std = 0.8200, ChiSquare = 0.0000e+00 1.K15 SRO Rule Break>> CA > CB : 1 1.K15 SRO Rule Break>> CA > CG : 1 1.K15 SRO Rule Break>> CA > CD : 0.999509563511525 1.K15 SRO Rule Break>> CA > CE : 0.999493414387031 1.M16 Typing: Mistyped 1.M16 CB = 83.380(A), Expected = 32.99, Std = 2.2400, ChiSquare = 0.0000e+00 1.M16 CG = 81.180(A), Expected = 32.01, Std = 1.2400, ChiSquare = 0.0000e+00 1.M16 CE = 66.680(A), Expected = 17.07, Std = 1.5800, ChiSquare = 0.0000e+00 1.M16 SRO Rule Break>> CA > CB : 1 1.M16 SRO Rule Break>> CA > CG : 1 1.M16 SRO Rule Break>> CA > CE : 1 1.E17 Typing: Mistyped 1.E17 CB = 81.480(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 1.E17 CG = 84.480(A), Expected = 36.11, Std = 1.1900, ChiSquare = 0.0000e+00 1.E17 SRO Rule Break>> CA > CB : 1 1.E17 SRO Rule Break>> CA > CG : 1 1.V18 Typing: Mistyped 1.V18 CB = 79.980(A), Expected = 32.73, Std = 1.7900, ChiSquare = 0.0000e+00 1.V18 CG1 = 71.980(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V18 CG2 = 71.180(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V18 SRO Rule Break>> CA > CB : 0.999680511182109 1.V18 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V18 SRO Rule Break>> CA > CG2 : 1 1.F19 Typing: Mistyped 1.F19 CB = 88.680(A), Expected = 39.99, Std = 2.0900, ChiSquare = 0.0000e+00 1.F19 CD1 = 83.920(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F19 CD2 = 83.920(A), Expected = 131.63, Std = 1.1200, ChiSquare = 0.0000e+00 1.F19 CE1 = 83.720(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F19 CE2 = 83.720(A), Expected = 130.76, Std = 1.1300, ChiSquare = 0.0000e+00 1.F19 SRO Rule Break>> CA > CB : 0.999434389140271 1.F19 SRO Rule Break>> CD1 > CB : 1 1.F19 SRO Rule Break>> CD2 > CB : 1 1.F19 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.F19 SRO Rule Break>> CE2 > CB : 0.997282608695652 1.Q20 Typing: Mistyped 1.Q20 CB = 79.680(A), Expected = 29.19, Std = 1.8200, ChiSquare = 0.0000e+00 1.Q20 CG = 80.980(A), Expected = 33.76, Std = 1.1100, ChiSquare = 0.0000e+00 1.Q20 SRO Rule Break>> CA > CB : 1 1.Q20 SRO Rule Break>> CA > CG : 1 1.E21 Typing: Mistyped 1.E21 CB = 77.580(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 1.E21 CG = 82.880(A), Expected = 36.11, Std = 1.1900, ChiSquare = 0.0000e+00 1.E21 SRO Rule Break>> CA > CB : 1 1.E21 SRO Rule Break>> CA > CG : 1 1.Y22 Typing: Mistyped 1.Y22 CB = 89.580(A), Expected = 39.32, Std = 2.1600, ChiSquare = 0.0000e+00 1.Y22 SRO Rule Break>> CA > CB : 0.998620689655172 1.Y23 Typing: Mistyped 1.Y23 CB = 85.180(A), Expected = 39.32, Std = 2.1600, ChiSquare = 0.0000e+00 1.Y23 CD1 = 84.820(A), Expected = 132.77, Std = 1.1700, ChiSquare = 0.0000e+00 1.Y23 CD2 = 84.820(A), Expected = 132.73, Std = 1.3000, ChiSquare = 0.0000e+00 1.Y23 CE1 = 70.120(A), Expected = 117.93, Std = 1.1900, ChiSquare = 0.0000e+00 1.Y23 CE2 = 70.120(A), Expected = 117.90, Std = 1.1800, ChiSquare = 0.0000e+00 1.Y23 SRO Rule Break>> CA > CB : 0.998620689655172 1.Y23 SRO Rule Break>> CD1 > CB : 1 1.Y23 SRO Rule Break>> CD2 > CB : 1 1.Y23 SRO Rule Break>> CE1 > CB : 1 1.Y23 SRO Rule Break>> CE2 > CB : 1 1.G24 Typing: Mistyped 1.G24 CA = 92.180(A), Expected = 45.35, Std = 1.3400, ChiSquare = 0.0000e+00 1.G24 H = 4.400(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.4834e-09 1.G24 HA2 = 2.410(S), Expected = 3.97, Std = 0.3700, ChiSquare = 2.4844e-05 1.G24 HA3 = 2.410(S), Expected = 3.90, Std = 0.3700, ChiSquare = 5.6487e-05 1.I25 Typing: Mistyped 1.I25 CB = 87.680(A), Expected = 38.63, Std = 2.0200, ChiSquare = 0.0000e+00 1.I25 CG1 = 74.380(A), Expected = 27.71, Std = 1.6800, ChiSquare = 0.0000e+00 1.I25 CG2 = 64.480(A), Expected = 17.53, Std = 1.3600, ChiSquare = 0.0000e+00 1.I25 CD1 = 59.780(A), Expected = 13.43, Std = 1.6700, ChiSquare = 0.0000e+00 1.I25 SRO Rule Break>> CA > CB : 1 1.I25 SRO Rule Break>> CA > CG1 : 0.998759305210918 1.I25 SRO Rule Break>> CA > CG2 : 1 1.I25 SRO Rule Break>> CA > CD1 : 0.998828353837141 1.P26 Typing: Mistyped 1.P26 CB = 81.080(A), Expected = 31.85, Std = 1.1800, ChiSquare = 0.0000e+00 1.P26 CG = 72.580(A), Expected = 27.17, Std = 1.0900, ChiSquare = 0.0000e+00 1.P26 CD = 98.280(A), Expected = 50.32, Std = 0.9900, ChiSquare = 0.0000e+00 1.P26 SRO Rule Break>> CA > CB : 0.998920669185105 1.P26 SRO Rule Break>> CA > CG : 1 1.P26 SRO Rule Break>> CA > CD : 0.997572815533981 1.P27 Typing: Mistyped 1.P27 CB = 78.080(A), Expected = 31.85, Std = 1.1800, ChiSquare = 0.0000e+00 1.P27 CG = 74.680(A), Expected = 27.17, Std = 1.0900, ChiSquare = 0.0000e+00 1.P27 CD = 98.080(A), Expected = 50.32, Std = 0.9900, ChiSquare = 0.0000e+00 1.P27 SRO Rule Break>> CA > CB : 0.998920669185105 1.P27 SRO Rule Break>> CA > CG : 1 1.P27 SRO Rule Break>> CA > CD : 0.997572815533981 1.P28 Typing: Mistyped 1.P28 CB = 77.680(A), Expected = 31.85, Std = 1.1800, ChiSquare = 0.0000e+00 1.P28 CG = 75.380(A), Expected = 27.17, Std = 1.0900, ChiSquare = 0.0000e+00 1.P28 CD = 97.580(A), Expected = 50.32, Std = 0.9900, ChiSquare = 0.0000e+00 1.P28 HA = 2.370(S), Expected = 4.40, Std = 0.3300, ChiSquare = 7.6746e-10 1.P28 SRO Rule Break>> CA > CB : 0.998920669185105 1.P28 SRO Rule Break>> CA > CG : 1 1.P28 SRO Rule Break>> CA > CD : 0.997572815533981 1.P29 Typing: Mistyped 1.P29 CB = 79.380(A), Expected = 31.85, Std = 1.1800, ChiSquare = 0.0000e+00 1.P29 CG = 75.280(A), Expected = 27.17, Std = 1.0900, ChiSquare = 0.0000e+00 1.P29 CD = 96.780(A), Expected = 50.32, Std = 0.9900, ChiSquare = 0.0000e+00 1.P29 HD2 = 2.220(S), Expected = 3.65, Std = 0.3500, ChiSquare = 4.3941e-05 1.P29 HD3 = 1.680(S), Expected = 3.61, Std = 0.3900, ChiSquare = 7.4704e-07 1.P29 SRO Rule Break>> CA > CB : 0.998920669185105 1.P29 SRO Rule Break>> CA > CG : 1 1.P29 SRO Rule Break>> CA > CD : 0.997572815533981 1.G30 Typing: Mistyped 1.G30 CA = 94.480(A), Expected = 45.35, Std = 1.3400, ChiSquare = 0.0000e+00 1.A31 Typing: Mistyped 1.A31 CB = 66.080(A), Expected = 19.01, Std = 1.8300, ChiSquare = 0.0000e+00 1.A31 SRO Rule Break>> CA > CB : 0.999452804377565 1.F32 Typing: Mistyped 1.F32 CB = 84.380(A), Expected = 39.99, Std = 2.0900, ChiSquare = 0.0000e+00 1.F32 CD1 = 82.620(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F32 CD2 = 82.620(A), Expected = 131.63, Std = 1.1200, ChiSquare = 0.0000e+00 1.F32 CE1 = 82.620(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F32 CE2 = 82.620(A), Expected = 130.76, Std = 1.1300, ChiSquare = 0.0000e+00 1.F32 CZ = 82.020(A), Expected = 129.21, Std = 1.4300, ChiSquare = 0.0000e+00 1.F32 HB3 = 1.270(S), Expected = 2.93, Std = 0.4000, ChiSquare = 3.3248e-05 1.F32 SRO Rule Break>> CA > CB : 0.999434389140271 1.F32 SRO Rule Break>> CD1 > CB : 1 1.F32 SRO Rule Break>> CD2 > CB : 1 1.F32 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.F32 SRO Rule Break>> CE2 > CB : 0.997282608695652 1.F32 SRO Rule Break>> CZ > CB : 1 1.G33 Typing: Mistyped 1.G33 CA = 92.680(A), Expected = 45.35, Std = 1.3400, ChiSquare = 0.0000e+00 1.G34 Typing: Mistyped 1.G34 CA = 92.880(A), Expected = 45.35, Std = 1.3400, ChiSquare = 0.0000e+00 1.F35 Typing: Mistyped 1.F35 CB = 88.780(A), Expected = 39.99, Std = 2.0900, ChiSquare = 0.0000e+00 1.F35 CD1 = 84.220(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F35 CD2 = 84.220(A), Expected = 131.63, Std = 1.1200, ChiSquare = 0.0000e+00 1.F35 CE1 = 70.420(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F35 CE2 = 70.420(A), Expected = 130.76, Std = 1.1300, ChiSquare = 0.0000e+00 1.F35 CZ = 71.420(A), Expected = 129.21, Std = 1.4300, ChiSquare = 0.0000e+00 1.F35 SRO Rule Break>> CA > CB : 0.999434389140271 1.F35 SRO Rule Break>> CD1 > CB : 1 1.F35 SRO Rule Break>> CD2 > CB : 1 1.F35 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.F35 SRO Rule Break>> CE2 > CB : 0.997282608695652 1.F35 SRO Rule Break>> CZ > CB : 1 1.L36 Typing: Mistyped 1.L36 CB = 93.180(A), Expected = 42.31, Std = 1.8800, ChiSquare = 0.0000e+00 1.L36 CG = 73.880(A), Expected = 26.78, Std = 1.1000, ChiSquare = 0.0000e+00 1.L36 CD1 = 73.880(A), Expected = 24.72, Std = 1.5900, ChiSquare = 0.0000e+00 1.L36 CD2 = 71.980(A), Expected = 24.05, Std = 1.7000, ChiSquare = 0.0000e+00 1.L36 SRO Rule Break>> CA > CB : 0.999742135121196 1.L36 SRO Rule Break>> CA > CG : 0.99959595959596 1.L36 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L36 SRO Rule Break>> CA > CD2 : 0.999623210248681 1.R37 Typing: Mistyped 1.R37 CB = 78.280(A), Expected = 30.70, Std = 1.8300, ChiSquare = 0.0000e+00 1.R37 CG = 76.580(A), Expected = 27.21, Std = 1.2000, ChiSquare = 0.0000e+00 1.R37 CD = 91.280(A), Expected = 43.16, Std = 0.8800, ChiSquare = 0.0000e+00 1.R37 SRO Rule Break>> CA > CB : 0.99954954954955 1.R37 SRO Rule Break>> CA > CG : 0.999257609502598 1.R37 SRO Rule Break>> CA > CD : 1 1.L38 Typing: Mistyped 1.L38 CB = 92.980(A), Expected = 42.31, Std = 1.8800, ChiSquare = 0.0000e+00 1.L38 CG = 73.080(A), Expected = 26.78, Std = 1.1000, ChiSquare = 0.0000e+00 1.L38 CD1 = 70.180(A), Expected = 24.72, Std = 1.5900, ChiSquare = 0.0000e+00 1.L38 CD2 = 72.980(A), Expected = 24.05, Std = 1.7000, ChiSquare = 0.0000e+00 1.L38 SRO Rule Break>> CA > CB : 0.999742135121196 1.L38 SRO Rule Break>> CA > CG : 0.99959595959596 1.L38 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L38 SRO Rule Break>> CA > CD2 : 0.999623210248681 1.N39 Typing: Mistyped 1.N39 CA = 97.680(A), Expected = 53.54, Std = 1.8800, ChiSquare = 0.0000e+00 1.N39 CB = 87.580(A), Expected = 38.69, Std = 1.6900, ChiSquare = 0.0000e+00 1.P40 Typing: Mistyped 1.P40 CB = 79.080(A), Expected = 31.85, Std = 1.1800, ChiSquare = 0.0000e+00 1.P40 CG = 76.180(A), Expected = 27.17, Std = 1.0900, ChiSquare = 0.0000e+00 1.P40 CD = 98.380(A), Expected = 50.32, Std = 0.9900, ChiSquare = 0.0000e+00 1.P40 SRO Rule Break>> CA > CB : 0.998920669185105 1.P40 SRO Rule Break>> CA > CG : 1 1.P40 SRO Rule Break>> CA > CD : 0.997572815533981 1.G41 Typing: Mistyped 1.G41 CA = 92.580(A), Expected = 45.35, Std = 1.3400, ChiSquare = 0.0000e+00 1.D42 Typing: Mistyped 1.D42 CB = 88.880(A), Expected = 40.88, Std = 1.6200, ChiSquare = 0.0000e+00 1.D42 SRO Rule Break>> CA > CB : 0.998947737635917 1.I43 Typing: Mistyped 1.I43 CB = 84.880(A), Expected = 38.63, Std = 2.0200, ChiSquare = 0.0000e+00 1.I43 CG1 = 74.780(A), Expected = 27.71, Std = 1.6800, ChiSquare = 0.0000e+00 1.I43 CG2 = 65.480(A), Expected = 17.53, Std = 1.3600, ChiSquare = 0.0000e+00 1.I43 CD1 = 58.880(A), Expected = 13.43, Std = 1.6700, ChiSquare = 0.0000e+00 1.I43 SRO Rule Break>> CA > CB : 1 1.I43 SRO Rule Break>> CA > CG1 : 0.998759305210918 1.I43 SRO Rule Break>> CA > CG2 : 1 1.I43 SRO Rule Break>> CA > CD1 : 0.998828353837141 1.V44 Typing: Mistyped 1.V44 CB = 83.080(A), Expected = 32.73, Std = 1.7900, ChiSquare = 0.0000e+00 1.V44 CG1 = 69.380(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V44 CG2 = 68.880(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V44 SRO Rule Break>> CA > CB : 0.999680511182109 1.V44 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V44 SRO Rule Break>> CA > CG2 : 1 1.E45 Typing: Mistyped 1.E45 CB = 79.380(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 1.E45 CG = 84.480(A), Expected = 36.11, Std = 1.1900, ChiSquare = 0.0000e+00 1.E45 SRO Rule Break>> CA > CB : 1 1.E45 SRO Rule Break>> CA > CG : 1 1.L46 Typing: Mistyped 1.L46 CB = 90.280(A), Expected = 42.31, Std = 1.8800, ChiSquare = 0.0000e+00 1.L46 CG = 73.880(A), Expected = 26.78, Std = 1.1000, ChiSquare = 0.0000e+00 1.L46 CD1 = 72.180(A), Expected = 24.72, Std = 1.5900, ChiSquare = 0.0000e+00 1.L46 CD2 = 73.280(A), Expected = 24.05, Std = 1.7000, ChiSquare = 0.0000e+00 1.L46 SRO Rule Break>> CA > CB : 0.999742135121196 1.L46 SRO Rule Break>> CA > CG : 0.99959595959596 1.L46 SRO Rule Break>> CA > CD1 : 0.999638074556641 1.L46 SRO Rule Break>> CA > CD2 : 0.999623210248681 1.T47 Typing: Mistyped 1.T47 CG2 = 70.780(A), Expected = 21.55, Std = 1.1100, ChiSquare = 0.0000e+00 1.T47 SRO Rule Break>> CA > CG2 : 0.999449642267474 1.T47 SRO Rule Break>> CB > CG2 : 1 1.K48 Typing: Mistyped 1.K48 CB = 82.980(A), Expected = 32.79, Std = 1.7800, ChiSquare = 0.0000e+00 1.K48 CG = 77.380(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 1.K48 CD = 73.080(A), Expected = 28.96, Std = 1.0800, ChiSquare = 0.0000e+00 1.K48 CE = 89.980(A), Expected = 41.89, Std = 0.8200, ChiSquare = 0.0000e+00 1.K48 SRO Rule Break>> CA > CB : 1 1.K48 SRO Rule Break>> CA > CG : 1 1.K48 SRO Rule Break>> CA > CD : 0.999509563511525 1.K48 SRO Rule Break>> CA > CE : 0.999493414387031 1.A49 Typing: Mistyped 1.A49 CB = 67.280(A), Expected = 19.01, Std = 1.8300, ChiSquare = 0.0000e+00 1.A49 HB1 = 0.260(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.7613e-05 1.A49 HB2 = 0.260(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.7613e-05 1.A49 HB3 = 0.260(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.7613e-05 1.A49 SRO Rule Break>> CA > CB : 0.999452804377565 1.E50 Typing: Mistyped 1.E50 CB = 78.280(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 1.E50 CG = 84.180(A), Expected = 36.11, Std = 1.1900, ChiSquare = 0.0000e+00 1.E50 SRO Rule Break>> CA > CB : 1 1.E50 SRO Rule Break>> CA > CG : 1 1.A51 Typing: Mistyped 1.A51 CB = 66.780(A), Expected = 19.01, Std = 1.8300, ChiSquare = 0.0000e+00 1.A51 SRO Rule Break>> CA > CB : 0.999452804377565 1.E52 Typing: Mistyped 1.E52 CB = 77.080(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 1.E52 CG = 84.180(A), Expected = 36.11, Std = 1.1900, ChiSquare = 0.0000e+00 1.E52 SRO Rule Break>> CA > CB : 1 1.E52 SRO Rule Break>> CA > CG : 1 1.H53 Typing: Mistyped 1.H53 CB = 80.780(A), Expected = 30.24, Std = 2.0700, ChiSquare = 0.0000e+00 1.H53 CD2 = 70.820(A), Expected = 120.49, Std = 3.4200, ChiSquare = 8.6140e-48 1.H53 CE1 = 90.720(A), Expected = 137.71, Std = 2.1200, ChiSquare = 0.0000e+00 1.H53 SRO Rule Break>> CA > CB : 1 1.H53 SRO Rule Break>> CD2 > CB : 1 1.N54 Typing: Mistyped 1.N54 CB = 86.480(A), Expected = 38.69, Std = 1.6900, ChiSquare = 0.0000e+00 1.N54 SRO Rule Break>> CA > CB : 0.999500748876685 1.W55 Typing: Mistyped 1.W55 CB = 78.780(A), Expected = 30.01, Std = 2.0100, ChiSquare = 0.0000e+00 1.W55 CD1 = 79.120(A), Expected = 126.51, Std = 1.8300, ChiSquare = 0.0000e+00 1.W55 CE3 = 71.420(A), Expected = 120.43, Std = 1.7900, ChiSquare = 0.0000e+00 1.W55 CZ2 = 66.620(A), Expected = 114.26, Std = 1.1200, ChiSquare = 0.0000e+00 1.W55 CZ3 = 73.220(A), Expected = 121.35, Std = 1.5300, ChiSquare = 0.0000e+00 1.W55 CH2 = 77.320(A), Expected = 123.86, Std = 1.4200, ChiSquare = 0.0000e+00 1.W55 SRO Rule Break>> CA > CB : 1 1.W55 SRO Rule Break>> CE3 > CB : 1 1.W55 SRO Rule Break>> CZ2 > CB : 1 1.W55 SRO Rule Break>> CZ3 > CB : 1 1.W55 SRO Rule Break>> CH2 > CB : 1 1.W56 Typing: Mistyped 1.W56 CB = 82.080(A), Expected = 30.01, Std = 2.0100, ChiSquare = 0.0000e+00 1.W56 CD1 = 76.020(A), Expected = 126.51, Std = 1.8300, ChiSquare = 0.0000e+00 1.W56 CE3 = 74.720(A), Expected = 120.43, Std = 1.7900, ChiSquare = 0.0000e+00 1.W56 CZ2 = 66.720(A), Expected = 114.26, Std = 1.1200, ChiSquare = 0.0000e+00 1.W56 CZ3 = 72.620(A), Expected = 121.35, Std = 1.5300, ChiSquare = 0.0000e+00 1.W56 CH2 = 76.620(A), Expected = 123.86, Std = 1.4200, ChiSquare = 0.0000e+00 1.W56 SRO Rule Break>> CA > CB : 1 1.W56 SRO Rule Break>> CD1 > CB : 1 1.W56 SRO Rule Break>> CE3 > CB : 1 1.W56 SRO Rule Break>> CZ2 > CB : 1 1.W56 SRO Rule Break>> CZ3 > CB : 1 1.W56 SRO Rule Break>> CH2 > CB : 1 1.E57 Typing: Mistyped 1.E57 CB = 79.980(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 1.E57 CG = 84.580(A), Expected = 36.11, Std = 1.1900, ChiSquare = 0.0000e+00 1.E57 HB2 = 1.220(S), Expected = 2.02, Std = 0.2100, ChiSquare = 1.3923e-04 1.E57 HB3 = -0.790(A), Expected = 1.99, Std = 0.2300, ChiSquare = 1.2379e-33 1.E57 HG2 = 1.540(S), Expected = 2.27, Std = 0.2100, ChiSquare = 5.0859e-04 1.E57 HG3 = 0.580(S), Expected = 2.25, Std = 0.2200, ChiSquare = 3.1767e-14 1.E57 SRO Rule Break>> CA > CB : 1 1.E57 SRO Rule Break>> CA > CG : 1 1.G58 Typing: Mistyped 1.G58 CA = 93.880(A), Expected = 45.35, Std = 1.3400, ChiSquare = 0.0000e+00 1.R59 Typing: Mistyped 1.R59 CB = 82.180(A), Expected = 30.70, Std = 1.8300, ChiSquare = 0.0000e+00 1.R59 CG = 75.280(A), Expected = 27.21, Std = 1.2000, ChiSquare = 0.0000e+00 1.R59 CD = 90.580(A), Expected = 43.16, Std = 0.8800, ChiSquare = 0.0000e+00 1.R59 SRO Rule Break>> CA > CB : 0.99954954954955 1.R59 SRO Rule Break>> CA > CG : 0.999257609502598 1.R59 SRO Rule Break>> CA > CD : 1 1.N60 Typing: Mistyped 1.N60 CB = 86.680(A), Expected = 38.69, Std = 1.6900, ChiSquare = 0.0000e+00 1.N60 SRO Rule Break>> CA > CB : 0.999500748876685 1.T61 Typing: Mistyped 1.T61 CG2 = 69.680(A), Expected = 21.55, Std = 1.1100, ChiSquare = 0.0000e+00 1.T61 SRO Rule Break>> CA > CG2 : 0.999449642267474 1.T61 SRO Rule Break>> CB > CG2 : 1 1.A62 Typing: Mistyped 1.A62 CB = 67.180(A), Expected = 19.01, Std = 1.8300, ChiSquare = 0.0000e+00 1.A62 SRO Rule Break>> CA > CB : 0.999452804377565 1.T63 Typing: Mistyped 1.T63 CG2 = 68.980(A), Expected = 21.55, Std = 1.1100, ChiSquare = 0.0000e+00 1.T63 SRO Rule Break>> CA > CG2 : 0.999449642267474 1.N64 Typing: Mistyped 1.N64 CB = 85.680(A), Expected = 38.69, Std = 1.6900, ChiSquare = 0.0000e+00 1.N64 SRO Rule Break>> CA > CB : 0.999500748876685 1.E65 Typing: Mistyped 1.E65 CB = 79.380(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 1.E65 CG = 84.480(A), Expected = 36.11, Std = 1.1900, ChiSquare = 0.0000e+00 1.E65 SRO Rule Break>> CA > CB : 1 1.E65 SRO Rule Break>> CA > CG : 1 1.V66 Typing: Mistyped 1.V66 CB = 83.080(A), Expected = 32.73, Std = 1.7900, ChiSquare = 0.0000e+00 1.V66 CG1 = 68.680(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V66 CG2 = 68.480(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V66 SRO Rule Break>> CA > CB : 0.999680511182109 1.V66 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V66 SRO Rule Break>> CA > CG2 : 1 1.G67 Typing: Mistyped 1.G67 CA = 93.480(A), Expected = 45.35, Std = 1.3400, ChiSquare = 0.0000e+00 1.W68 Typing: Mistyped 1.W68 CB = 79.380(A), Expected = 30.01, Std = 2.0100, ChiSquare = 0.0000e+00 1.W68 CD1 = 78.920(A), Expected = 126.51, Std = 1.8300, ChiSquare = 0.0000e+00 1.W68 CE3 = 72.920(A), Expected = 120.43, Std = 1.7900, ChiSquare = 0.0000e+00 1.W68 CZ2 = 66.720(A), Expected = 114.26, Std = 1.1200, ChiSquare = 0.0000e+00 1.W68 CZ3 = 73.220(A), Expected = 121.35, Std = 1.5300, ChiSquare = 0.0000e+00 1.W68 CH2 = 76.720(A), Expected = 123.86, Std = 1.4200, ChiSquare = 0.0000e+00 1.W68 SRO Rule Break>> CA > CB : 1 1.W68 SRO Rule Break>> CD1 > CB : 1 1.W68 SRO Rule Break>> CE3 > CB : 1 1.W68 SRO Rule Break>> CZ2 > CB : 1 1.W68 SRO Rule Break>> CZ3 > CB : 1 1.W68 SRO Rule Break>> CH2 > CB : 1 1.F69 Typing: Mistyped 1.F69 CB = 86.580(A), Expected = 39.99, Std = 2.0900, ChiSquare = 0.0000e+00 1.F69 CD1 = 86.820(A), Expected = 131.58, Std = 1.1800, ChiSquare = 0.0000e+00 1.F69 CD2 = 86.820(A), Expected = 131.63, Std = 1.1200, ChiSquare = 0.0000e+00 1.F69 CE1 = 84.120(A), Expected = 130.71, Std = 1.3000, ChiSquare = 0.0000e+00 1.F69 CE2 = 84.120(A), Expected = 130.76, Std = 1.1300, ChiSquare = 0.0000e+00 1.F69 CZ = 80.400(A), Expected = 129.21, Std = 1.4300, ChiSquare = 0.0000e+00 1.F69 SRO Rule Break>> CA > CB : 0.999434389140271 1.F69 SRO Rule Break>> CE1 > CB : 0.998242530755712 1.F69 SRO Rule Break>> CE2 > CB : 0.997282608695652 1.F69 SRO Rule Break>> CZ > CB : 1 1.P70 Typing: Mistyped 1.P70 CB = 78.280(A), Expected = 31.85, Std = 1.1800, ChiSquare = 0.0000e+00 1.P70 CG = 75.080(A), Expected = 27.17, Std = 1.0900, ChiSquare = 0.0000e+00 1.P70 CD = 96.880(A), Expected = 50.32, Std = 0.9900, ChiSquare = 0.0000e+00 1.P70 HD2 = 2.440(S), Expected = 3.65, Std = 0.3500, ChiSquare = 5.4594e-04 1.P70 SRO Rule Break>> CA > CB : 0.998920669185105 1.P70 SRO Rule Break>> CA > CG : 1 1.P70 SRO Rule Break>> CA > CD : 0.997572815533981 1.C71 Typing: Mistyped 1.C71 CB = 72.180(A), Expected = 32.49, Std = 6.0100, ChiSquare = 4.0023e-11 1.C71 HB2 = 0.890(S), Expected = 2.96, Std = 0.4400, ChiSquare = 2.5443e-06 1.C71 HB3 = 0.630(S), Expected = 2.89, Std = 0.4600, ChiSquare = 8.9673e-07 1.C71 SRO Rule Break>> CA > CB : 1 1.N72 Typing: Mistyped 1.N72 CB = 84.680(A), Expected = 38.69, Std = 1.6900, ChiSquare = 0.0000e+00 1.N72 SRO Rule Break>> CA > CB : 0.999500748876685 1.R73 Typing: Mistyped 1.R73 CB = 78.280(A), Expected = 30.70, Std = 1.8300, ChiSquare = 0.0000e+00 1.R73 CG = 76.180(A), Expected = 27.21, Std = 1.2000, ChiSquare = 0.0000e+00 1.R73 CD = 90.080(A), Expected = 43.16, Std = 0.8800, ChiSquare = 0.0000e+00 1.R73 SRO Rule Break>> CA > CB : 0.99954954954955 1.R73 SRO Rule Break>> CA > CG : 0.999257609502598 1.R73 SRO Rule Break>> CA > CD : 1 1.V74 Typing: Mistyped 1.V74 CB = 83.580(A), Expected = 32.73, Std = 1.7900, ChiSquare = 0.0000e+00 1.V74 CG1 = 69.780(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V74 CG2 = 67.480(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V74 SRO Rule Break>> CA > CB : 0.999680511182109 1.V74 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V74 SRO Rule Break>> CA > CG2 : 1 1.H75 Typing: Mistyped 1.H75 CB = 79.180(A), Expected = 30.24, Std = 2.0700, ChiSquare = 0.0000e+00 1.H75 CD2 = 72.020(A), Expected = 120.49, Std = 3.4200, ChiSquare = 1.3556e-45 1.H75 CE1 = 89.620(A), Expected = 137.71, Std = 2.1200, ChiSquare = 0.0000e+00 1.H75 SRO Rule Break>> CA > CB : 1 1.H75 SRO Rule Break>> CD2 > CB : 1 1.P76 Typing: Mistyped 1.P76 CB = 79.880(A), Expected = 31.85, Std = 1.1800, ChiSquare = 0.0000e+00 1.P76 CG = 76.280(A), Expected = 27.17, Std = 1.0900, ChiSquare = 0.0000e+00 1.P76 CD = 98.580(A), Expected = 50.32, Std = 0.9900, ChiSquare = 0.0000e+00 1.P76 SRO Rule Break>> CA > CB : 0.998920669185105 1.P76 SRO Rule Break>> CA > CG : 1 1.P76 SRO Rule Break>> CA > CD : 0.997572815533981 1.Y77 Typing: Mistyped 1.Y77 CB = 86.780(A), Expected = 39.32, Std = 2.1600, ChiSquare = 0.0000e+00 1.Y77 CD1 = 84.920(A), Expected = 132.77, Std = 1.1700, ChiSquare = 0.0000e+00 1.Y77 CD2 = 84.920(A), Expected = 132.73, Std = 1.3000, ChiSquare = 0.0000e+00 1.Y77 CE1 = 70.720(A), Expected = 117.93, Std = 1.1900, ChiSquare = 0.0000e+00 1.Y77 CE2 = 70.720(A), Expected = 117.90, Std = 1.1800, ChiSquare = 0.0000e+00 1.Y77 SRO Rule Break>> CA > CB : 0.998620689655172 1.Y77 SRO Rule Break>> CD1 > CB : 1 1.Y77 SRO Rule Break>> CD2 > CB : 1 1.Y77 SRO Rule Break>> CE1 > CB : 1 1.Y77 SRO Rule Break>> CE2 > CB : 1 1.V78 Typing: Mistyped 1.V78 CB = 80.580(A), Expected = 32.73, Std = 1.7900, ChiSquare = 0.0000e+00 1.V78 CG1 = 67.880(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 1.V78 CG2 = 68.880(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 1.V78 SRO Rule Break>> CA > CB : 0.999680511182109 1.V78 SRO Rule Break>> CA > CG1 : 0.999566348655681 1.V78 SRO Rule Break>> CA > CG2 : 1 1.H79 Typing: Mistyped 1.H79 CB = 78.580(A), Expected = 30.24, Std = 2.0700, ChiSquare = 0.0000e+00 1.H79 CD2 = 72.820(A), Expected = 120.49, Std = 3.4200, ChiSquare = 3.6913e-44 1.H79 CE1 = 89.520(A), Expected = 137.71, Std = 2.1200, ChiSquare = 0.0000e+00 1.H79 SRO Rule Break>> CA > CB : 1 1.H79 SRO Rule Break>> CD2 > CB : 1