Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.530 CA :: 45.640 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.554 HA2 :: 3.994 HA3 :: 3.994 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.520 Ave N Shift Values>> N :: 109.67(3.87) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.630 CA :: 58.700 CB :: 64.480 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.345 HA :: 4.430 HB2 :: 3.815 HB3 :: 3.815 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.710 Ave N Shift Values>> N :: 116.28(3.52) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 L 0.01 C Shift Assignments>> C :: 178.040 CA :: 52.710 CB :: 19.810 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.369 HA :: 4.348 HB1 :: 1.333 HB2 :: 1.333 HB3 :: 1.333 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.240 Ave N Shift Values>> N :: 123.23(3.54) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 G 0.35 L 0.26 C Shift Assignments>> C :: 177.410 CA :: 54.990 CB :: 43.940 CD1 :: 21.210 CD2 :: 24.360 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 :: 8.168 HA :: 4.438 HB2 :: 1.450 HB3 :: 1.592 HG :: 1.652 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 HD21 :: 0.776 HD22 :: 0.776 HD23 :: 0.776 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 :: 121.470 Ave N Shift Values>> N :: 121.86(3.9) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.830 CA :: 56.940 CB :: 63.710 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.061 HA :: 4.737 HB2 :: 4.003 HB3 :: 4.394 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.660 Ave N Shift Values>> N :: 116.28(3.52) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.78 P 0.2 C Shift Assignments>> C :: 180.240 CA :: 66.580 CB :: 32.410 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 :: 4.217 HB2 :: 1.949 HB3 :: 2.427 HG2 :: 2.068 HG3 :: 2.228 HD2 :: 3.918 HD3 :: 3.947 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 E 0.16 K 0.12 R 0.11 H 0.11 Q 0.09 V 0.08 P 0.01 C Shift Assignments>> C :: 180.000 CA :: 60.530 CB :: 29.530 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 :: 8.717 HA :: 4.006 HB2 :: 1.945 HB3 :: 2.024 HG2 :: 2.273 HG3 :: 2.402 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.380 Ave N Shift Values>> N :: 120.67(3.48) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 E 0.18 V 0.18 H 0.15 K 0.13 Q 0.08 I 0.03 P 0.01 C Shift Assignments>> C :: 180.350 CA :: 59.620 CB :: 31.200 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 :: 7.902 HA :: 4.084 HB2 :: 2.346 HB3 :: 1.976 HG2 :: 2.218 HG3 :: 2.326 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 :: 122.280 Ave N Shift Values>> N :: 120.67(3.48) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.590 CA :: 66.120 CB :: 38.440 CG2 :: 15.870 CD1 :: 11.530 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 :: 8.422 HA :: 3.515 HB :: 1.837 HG12 :: 0.934 HG13 :: 1.669 HG21 :: 0.829 HG22 :: 0.829 HG23 :: 0.829 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.190 Ave N Shift Values>> N :: 121.46(4.28) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 K 0.12 P 0.11 Q 0.06 R 0.05 H 0.04 E 0.03 I 0.01 C Shift Assignments>> C :: 177.800 CA :: 60.910 CB :: 32.960 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 :: 7.924 HA :: 3.605 HB2 :: 1.899 HB3 :: 1.899 HG2 :: 1.188 HG3 :: 1.315 HD2 :: 1.682 HD3 :: 1.682 HE2 :: 3.090 HE3 :: 2.892 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.120 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 I 0.14 V 0.03 L 0.01 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> C :: 181.400 CA :: 55.800 CB :: 18.620 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.700 HA :: 4.022 HB1 :: 1.459 HB2 :: 1.459 HB3 :: 1.459 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.070 Ave N Shift Values>> N :: 123.23(3.54) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 K 0.24 Q 0.17 R 0.08 H 0.07 E 0.04 P 0.01 I 0.01 C Shift Assignments>> C :: 179.910 CA :: 59.780 CB :: 33.320 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 :: 8.050 HA :: 4.080 HB2 :: 1.914 HB3 :: 1.819 HG2 :: 1.602 HG3 :: 1.428 HD2 :: 1.623 HD3 :: 1.623 HE2 :: 2.946 HE3 :: 2.908 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 :: 119.120 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 L 0.18 V 0.11 I 0.02 C Shift Assignments>> C :: 179.530 CA :: 55.810 CB :: 20.290 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.587 HA :: 3.960 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.100 Ave N Shift Values>> N :: 123.23(3.54) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 K 0.29 L 0.14 I 0.09 D 0.06 R 0.05 C Shift Assignments>> C :: 179.980 CA :: 58.680 CB :: 41.470 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 :: 8.555 HA :: 3.963 HB2 :: 1.397 HB3 :: 1.831 HG :: 1.756 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 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 :: 117.020 Ave N Shift Values>> N :: 121.86(3.9) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 F 0.24 L 0.17 R 0.13 D 0.06 I 0.04 HN Overlap>> 1.L55 1.L55 C Shift Assignments>> C :: 178.830 CA :: 58.300 CB :: 41.990 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 :: 8.005 HA :: 4.420 HB2 :: 2.742 HB3 :: 2.742 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 :: 120.590 Ave N Shift Values>> N :: 120.65(3.86) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 G 0.14 C Shift Assignments>> C :: 180.610 CA :: 58.850 CB :: 42.770 CD1 :: 22.640 CD2 :: 22.700 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.755 HA :: 4.053 HB2 :: 1.744 HB3 :: 1.792 HG :: 1.575 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 HD21 :: 0.823 HD22 :: 0.823 HD23 :: 0.823 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.430 Ave N Shift Values>> N :: 121.86(3.9) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 G 0.35 A 0.02 C Shift Assignments>> C :: 179.580 CA :: 58.730 CB :: 43.320 CD1 :: 23.870 CD2 :: 21.100 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 :: 8.756 HA :: 3.867 HB2 :: 1.348 HB3 :: 1.818 HG :: 1.836 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.860 Ave N Shift Values>> N :: 121.86(3.9) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 I 0.19 D 0.1 L 0.08 N 0.05 E 0.02 C Shift Assignments>> C :: 179.160 CA :: 57.660 CB :: 39.070 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 :: 8.669 HA :: 4.393 HB2 :: 2.524 HB3 :: 3.009 HD21 :: 6.921 HD22 :: 7.422 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 :: 117.600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 K 0.13 P 0.11 R 0.07 Q 0.05 H 0.05 E 0.04 C Shift Assignments>> C :: 180.580 CA :: 60.810 CB :: 32.750 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 :: 7.993 HA :: 4.081 HB2 :: 2.009 HB3 :: 1.908 HG2 :: 1.569 HG3 :: 1.386 HD2 :: 1.631 HE2 :: 2.925 HE3 :: 2.925 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 :: 121.770 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 K 0.14 Q 0.11 P 0.05 R 0.04 I 0.03 H 0.03 E 0.02 C Shift Assignments>> C :: 180.130 CA :: 60.750 CB :: 33.710 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 :: 8.058 HA :: 3.957 HB2 :: 1.823 HB3 :: 2.069 HG2 :: 1.404 HG3 :: 1.404 HD2 :: 1.638 HD3 :: 1.569 HE2 :: 2.801 HE3 :: 2.801 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 G 0.06 C Shift Assignments>> C :: 178.500 CA :: 58.600 CB :: 42.520 CD1 :: 22.700 CD2 :: 24.290 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 :: 8.613 HA :: 3.979 HB2 :: 1.976 HB3 :: 1.403 HG :: 1.501 HD11 :: 0.923 HD12 :: 0.923 HD13 :: 0.923 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 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 :: 122.930 Ave N Shift Values>> N :: 121.86(3.9) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.21 R 0.16 H 0.15 I 0.13 Q 0.12 K 0.12 V 0.07 C Shift Assignments>> C :: 178.420 CA :: 59.700 CB :: 29.890 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.336 HA :: 4.402 HB2 :: 3.242 HB3 :: 3.242 HD2 :: 7.091 HE1 :: 8.059 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 :: 118.420 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 R 0.18 V 0.16 H 0.15 K 0.09 Q 0.09 I 0.07 P 0.02 C Shift Assignments>> C :: 178.050 CA :: 59.870 CB :: 30.750 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 :: 7.817 HA :: 3.994 HB2 :: 1.927 HB3 :: 1.927 HG2 :: 1.799 HG3 :: 1.655 HD2 :: 3.163 HD3 :: 3.163 HE :: 7.265 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 :: 118.900 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 I 0.04 V 0.02 L 0.02 C Shift Assignments>> C :: 180.030 CA :: 55.250 CB :: 19.150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.149 HA :: 4.149 HB1 :: 1.328 HB2 :: 1.328 HB3 :: 1.328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.930 Ave N Shift Values>> N :: 123.23(3.54) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 D 0.28 L 0.17 N 0.16 I 0.04 K 0.01 C Shift Assignments>> C :: 177.790 CA :: 55.920 CB :: 39.720 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 :: 8.167 HA :: 4.407 HB2 :: 2.670 HB3 :: 2.756 HD21 :: 6.769 HD22 :: 7.343 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 :: 115.330 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.2 V 0.17 R 0.13 H 0.1 E 0.07 HN Overlap>> 1.Q40 1.Q40 C Shift Assignments>> C :: 178.260 CA :: 58.720 CB :: 33.020 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 :: 8.013 HA :: 3.937 HB2 :: 1.534 HB3 :: 1.534 HG2 :: 1.073 HG3 :: 0.831 HD2 :: 1.459 HD3 :: 1.383 HE2 :: 2.782 HE3 :: 2.782 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 I 0.28 D 0.06 L 0.06 N 0.01 E 0.01 C Shift Assignments>> C :: 177.220 CA :: 58.440 CB :: 39.200 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 :: 8.200 HA :: 4.614 HB2 :: 3.250 HB3 :: 3.000 HD1 :: 7.345 HD2 :: 7.345 HE1 :: 7.314 HE2 :: 7.314 HZ :: 7.266 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 :: 115.850 Ave N Shift Values>> N :: 120.45(4.18) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 175.610 CA :: 47.340 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.848 HA2 :: 3.916 HA3 :: 3.884 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.240 Ave N Shift Values>> N :: 109.67(3.87) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 E 0.21 R 0.2 Q 0.19 K 0.12 I 0.01 V 0.01 HN Overlap>> 1.L61 1.L61 C Shift Assignments>> C :: 175.180 CA :: 56.930 CB :: 30.090 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 :: 8.012 HA :: 4.186 HB2 :: 2.219 HB3 :: 1.839 HG2 :: 2.404 HG3 :: 2.321 HE21 :: 6.729 HE22 :: 7.721 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 :: 117.520 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.21 R 0.17 K 0.16 F 0.07 N 0.02 G 0.01 C Shift Assignments>> C :: 177.260 CA :: 54.770 CB :: 42.470 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 :: 8.440 HA :: 4.489 HB2 :: 2.615 HB3 :: 2.791 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.600 Ave N Shift Values>> N :: 120.65(3.86) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 E 0.19 Q 0.17 H 0.15 R 0.12 I 0.11 L 0.01 V 0.01 C Shift Assignments>> C :: 177.660 CA :: 58.660 CB :: 28.960 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 :: 8.663 HA :: 3.794 HB2 :: 2.163 HB3 :: 1.963 HG2 :: 2.410 HG3 :: 2.375 HE21 :: 6.834 HE22 :: 7.833 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 :: 124.100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 I 0.09 V 0.02 L 0.01 HN Overlap>> 1.N66 1.N66 C Shift Assignments>> C :: 181.160 CA :: 55.590 CB :: 18.770 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.584 HA :: 4.167 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.430 Ave N Shift Values>> N :: 123.23(3.54) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 L 0.22 K 0.19 D 0.17 I 0.04 N 0.02 R 0.01 HN Overlap>> 1.A11 1.A11 C Shift Assignments>> C :: 179.010 CA :: 57.170 CB :: 40.960 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.682 HA :: 4.408 HB2 :: 2.609 HB3 :: 2.815 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.030 Ave N Shift Values>> N :: 120.65(3.86) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.060 CA :: 65.980 CB :: 38.370 CG2 :: 15.340 CD1 :: 11.300 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.432 HA :: 3.404 HB :: 1.865 HG12 :: 1.453 HG13 :: 0.882 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 HD11 :: 0.693 HD12 :: 0.693 HD13 :: 0.693 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.610 Ave N Shift Values>> N :: 121.46(4.28) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 K 0.18 L 0.18 D 0.12 I 0.09 R 0.01 N 0.01 C Shift Assignments>> C :: 179.660 CA :: 57.930 CB :: 40.880 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 :: 8.678 HA :: 4.321 HB2 :: 2.600 HB3 :: 2.713 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.260 Ave N Shift Values>> N :: 120.65(3.86) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 1 C Shift Assignments>> C :: 178.370 CA :: 61.890 CB :: 63.320 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.882 HA :: 4.109 HB2 :: 3.999 HB3 :: 4.017 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.760 Ave N Shift Values>> N :: 116.28(3.52) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 G 0.24 C Shift Assignments>> C :: 179.440 CA :: 58.670 CB :: 43.520 CD1 :: 23.580 CD2 :: 24.650 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.947 HA :: 4.112 HB2 :: 1.208 HB3 :: 2.061 HG :: 1.771 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 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 :: 122.830 Ave N Shift Values>> N :: 121.86(3.9) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 K 0.17 E 0.17 Q 0.13 H 0.12 R 0.11 V 0.02 C Shift Assignments>> C :: 179.500 CA :: 59.730 CB :: 29.010 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 :: 8.556 HA :: 3.965 HB2 :: 2.214 HB3 :: 2.109 HG2 :: 2.435 HG3 :: 2.308 HE21 :: 6.843 HE22 :: 7.082 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 :: 118.190 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 E 0.15 R 0.15 H 0.12 I 0.09 K 0.08 P 0.07 Q 0.06 C Shift Assignments>> C :: 180.170 CA :: 60.530 CB :: 30.820 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 :: 8.185 HA :: 4.106 HB2 :: 2.037 HB3 :: 1.889 HG2 :: 1.882 HG3 :: 1.573 HD2 :: 3.139 HD3 :: 3.284 HE :: 7.457 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 :: 118.830 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 I 0.18 R 0.14 H 0.13 K 0.12 Q 0.11 V 0.08 P 0.01 HN Overlap>> 1.K26 1.K26 C Shift Assignments>> C :: 178.760 CA :: 60.130 CB :: 29.810 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 :: 8.097 HA :: 4.076 HB2 :: 2.296 HB3 :: 2.136 HG2 :: 2.592 HG3 :: 2.292 HE21 :: 6.796 HE22 :: 7.050 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.780 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V44 1.V44 C Shift Assignments>> C :: 177.540 CA :: 66.830 CB :: 38.940 CG2 :: 14.860 CD1 :: 12.140 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 :: 8.491 HA :: 3.311 HB :: 1.879 HG12 :: 1.770 HG13 :: 1.770 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.010 Ave N Shift Values>> N :: 121.46(4.28) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 D 0.17 N 0.15 I 0.1 L 0.09 E 0.03 C Shift Assignments>> C :: 178.290 CA :: 56.640 CB :: 38.870 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 :: 8.010 HA :: 4.381 HB2 :: 2.795 HB3 :: 2.857 HD21 :: 6.964 HD22 :: 7.690 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 :: 116.710 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.21 E 0.17 R 0.16 H 0.13 I 0.09 K 0.08 Q 0.08 P 0.04 C Shift Assignments>> C :: 178.860 CA :: 60.340 CB :: 30.710 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 :: 7.974 HA :: 4.211 HB2 :: 2.114 HB3 :: 2.032 HG2 :: 1.892 HG3 :: 1.841 HD2 :: 3.225 HD3 :: 3.225 HE :: 7.267 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 :: 119.420 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I41 1.I41 C Shift Assignments>> C :: 179.690 CA :: 66.070 CB :: 31.920 CG1 :: 21.120 CG2 :: 22.060 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 :: 8.415 HA :: 3.826 HB :: 1.992 HG11 :: 0.690 HG12 :: 0.690 HG13 :: 0.690 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.980 Ave N Shift Values>> N :: 121.14(4.54) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.18 V 0.18 E 0.16 R 0.13 H 0.11 Q 0.08 K 0.07 P 0.05 C Shift Assignments>> C :: 178.800 CA :: 60.680 CB :: 30.220 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 :: 8.632 HA :: 3.773 HB2 :: 1.938 HB3 :: 2.144 HG2 :: 2.400 HG3 :: 2.400 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 :: 118.690 Ave N Shift Values>> N :: 120.67(3.48) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.27 V 0.17 E 0.1 R 0.06 H 0.05 I 0.02 F 0.01 C Shift Assignments>> C :: 178.960 CA :: 58.830 CB :: 34.150 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 :: 7.279 HA :: 3.950 HB2 :: 1.377 HB3 :: 1.018 HG2 :: 0.691 HG3 :: 0.673 HD2 :: 1.374 HD3 :: 1.374 HE2 :: 2.760 HE3 :: 2.760 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 :: 115.130 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 K 0.25 L 0.15 I 0.1 D 0.07 R 0.03 C Shift Assignments>> C :: 177.570 CA :: 58.530 CB :: 41.230 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 :: 8.758 HA :: 4.783 HB2 :: 3.238 HB3 :: 2.915 HD1 :: 7.368 HD2 :: 7.368 HE1 :: 7.329 HE2 :: 7.329 HZ :: 7.264 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 :: 115.340 Ave N Shift Values>> N :: 120.45(4.18) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.410 CA :: 45.010 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.591 HA2 :: 3.541 HA3 :: 4.303 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.720 Ave N Shift Values>> N :: 109.67(3.87) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.440 CA :: 62.030 CB :: 34.050 CG1 :: 18.630 CG2 :: 21.470 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 :: 7.938 HA :: 3.955 HB :: 1.729 HG11 :: 0.562 HG12 :: 0.562 HG13 :: 0.562 HG21 :: 0.681 HG22 :: 0.681 HG23 :: 0.681 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.900 Ave N Shift Values>> N :: 121.14(4.54) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.28 K 0.13 N 0.1 F 0.06 R 0.05 C Shift Assignments>> C :: 178.620 CA :: 53.240 CB :: 41.790 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 :: 8.744 HA :: 4.637 HB2 :: 2.608 HB3 :: 2.714 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 :: 127.470 Ave N Shift Values>> N :: 120.65(3.86) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 A 0.17 C Shift Assignments>> C :: 177.020 CA :: 57.640 CB :: 41.250 CD1 :: 23.200 CD2 :: 20.780 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 :: 9.146 HA :: 3.837 HB2 :: 1.506 HB3 :: 1.673 HG :: 1.719 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.738 HD22 :: 0.738 HD23 :: 0.738 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 :: 129.260 Ave N Shift Values>> N :: 121.86(3.9) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.24 F 0.09 L 0.07 C Shift Assignments>> C :: 175.500 CA :: 53.270 CB :: 39.040 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 :: 8.527 HA :: 4.807 HB2 :: 2.672 HB3 :: 2.839 HD21 :: 6.866 HD22 :: 7.760 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 :: 115.650 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.690 CA :: 58.430 CB :: 67.510 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.582 HA :: 4.496 HB2 :: 3.937 HB3 :: 4.326 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.170 Ave N Shift Values>> N :: 116.28(3.52) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 R 0.2 H 0.16 V 0.15 E 0.15 Q 0.06 C Shift Assignments>> C :: 179.680 CA :: 58.830 CB :: 32.000 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 :: 8.820 HA :: 4.082 HB2 :: 1.817 HB3 :: 1.817 HG2 :: 1.513 HG3 :: 1.466 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.924 HE3 :: 2.924 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 :: 122.730 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 F 0.22 L 0.18 R 0.17 D 0.06 I 0.03 HN Overlap>> 1.D15 1.D15 C Shift Assignments>> C :: 178.360 CA :: 58.160 CB :: 42.180 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 :: 8.048 HA :: 4.134 HB2 :: 1.655 HB3 :: 1.568 HG :: 1.423 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 HD21 :: 0.881 HD22 :: 0.881 HD23 :: 0.881 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.630 Ave N Shift Values>> N :: 121.86(3.9) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 I 0.13 V 0.07 L 0.03 C Shift Assignments>> C :: 179.950 CA :: 56.070 CB :: 19.160 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.390 HA :: 3.707 HB1 :: 1.412 HB2 :: 1.412 HB3 :: 1.412 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.430 Ave N Shift Values>> N :: 123.23(3.54) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.21 R 0.17 H 0.16 Q 0.13 K 0.11 I 0.11 V 0.07 C Shift Assignments>> C :: 181.130 CA :: 59.590 CB :: 30.060 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 :: 7.307 HA :: 4.090 HB2 :: 2.156 HB3 :: 2.156 HG2 :: 2.123 HG3 :: 2.315 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.610 Ave N Shift Values>> N :: 120.67(3.48) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 R 0.16 H 0.15 I 0.13 Q 0.11 K 0.1 V 0.09 P 0.01 C Shift Assignments>> C :: 179.470 CA :: 59.930 CB :: 30.060 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 :: 8.442 HA :: 3.962 HB2 :: 2.053 HB3 :: 2.152 HG2 :: 2.362 HG3 :: 2.362 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 :: 122.750 Ave N Shift Values>> N :: 120.67(3.48) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 A 0.23 G 0.23 C Shift Assignments>> C :: 177.410 CA :: 55.480 CB :: 43.730 CD1 :: 24.500 CD2 :: 21.300 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.822 HA :: 4.189 HB2 :: 1.530 HB3 :: 1.734 HG :: 1.827 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 HD21 :: 0.775 HD22 :: 0.775 HD23 :: 0.775 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 :: 115.960 Ave N Shift Values>> N :: 121.86(3.9) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.06 C Shift Assignments>> C :: 175.900 CA :: 46.530 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.839 HA2 :: 3.901 HA3 :: 4.004 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.220 Ave N Shift Values>> N :: 109.67(3.87) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 L 0.36 G 0.06 HN Overlap>> 1.Q29 1.Q29 C Shift Assignments>> C :: 176.900 CA :: 55.790 CB :: 42.600 CD1 :: 23.630 CD2 :: 20.160 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.929 HA :: 4.193 HB2 :: 1.539 HB3 :: 1.582 HG :: 1.534 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 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 :: 117.530 Ave N Shift Values>> N :: 121.86(3.9) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 I 0.08 C Shift Assignments>> C :: 175.640 CA :: 60.990 CB :: 34.650 CG1 :: 19.340 CG2 :: 18.110 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 :: 7.442 HA :: 4.245 HB :: 1.989 HG11 :: 0.852 HG12 :: 0.852 HG13 :: 0.852 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 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 :: 114.920 Ave N Shift Values>> N :: 121.14(4.54) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.700 CA :: 58.410 CB :: 64.400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.406 HA :: 4.432 HB2 :: 3.762 HB3 :: 3.762 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.160 Ave N Shift Values>> N :: 116.28(3.52) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 H 0.23 K 0.19 E 0.17 Q 0.13 V 0.02 C Shift Assignments>> C :: 176.580 CA :: 56.350 CB :: 31.380 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 :: 8.465 HA :: 4.299 HB2 :: 1.780 HB3 :: 1.669 HG2 :: 1.561 HG3 :: 1.528 HD2 :: 3.128 HD3 :: 3.128 HE :: 7.242 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 :: 123.520 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.33 R 0.09 H 0.09 E 0.04 V 0.04 C Shift Assignments>> C :: 176.610 CA :: 56.720 CB :: 33.720 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 :: 8.386 HA :: 4.247 HB2 :: 1.759 HB3 :: 1.680 HG2 :: 1.378 HG3 :: 1.332 HD2 :: 1.602 HD3 :: 1.602 HE2 :: 2.920 HE3 :: 2.920 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 :: 122.860 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.3 F 0.12 L 0.1 HN Overlap>> 1.A32 1.A32 C Shift Assignments>> C :: 174.510 CA :: 53.850 CB :: 39.410 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 :: 8.528 HA :: 4.667 HB2 :: 2.672 HB3 :: 2.832 HD21 :: 6.862 HD22 :: 7.591 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.430 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 R 0.21 H 0.18 E 0.17 V 0.1 Q 0.08 C Shift Assignments>> C :: 181.500 CA :: 58.430 CB :: 31.730 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 :: 7.875 HA :: 4.064 HB2 :: 1.965 HB3 :: 2.006 HG2 :: 2.108 HG3 :: 2.108 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 :: 125.700 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 67 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 67 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 67 #Suspicious: 0 C Shift Results: #Consistent: 225 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 496 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 66 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0