M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.54 M 0.37 A 0.06 C Shift Assignments>> CA :: 53.880 CB :: 33.586 CG :: 29.795 CE :: 14.710 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 3.898 HB2 :: 1.986 HB3 :: 1.986 HG2 :: 2.612 HG3 :: 2.612 HE :: 1.887 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 C 0.25 A 0.1 C Shift Assignments>> C :: 170.390 CA :: 58.507 CB :: 69.890 CG2 :: 19.110 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.878 HA :: 5.056 HB :: 4.376 HG2 :: 1.578 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.790 Ave N Shift Values>> N :: 115.7(5.05) P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.88 P 0.09 G 0.01 C Shift Assignments>> C :: 173.757 CA :: 60.659 CB :: 29.344 CG :: 25.253 CD :: 48.960 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.581 HB2 :: 2.064 HB3 :: 1.711 HG2 :: 2.030 HG3 :: 1.899 HD2 :: 4.370 HD3 :: 4.260 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 A 0.19 I 0.13 G 0.04 C Shift Assignments>> C :: 175.236 CA :: 56.829 CB :: 42.297 CG1 :: 23.840 CG2 :: 17.410 CD1 :: 12.277 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.306 HA :: 5.945 HB :: 1.910 HG2 :: 1.070 HG12 :: 0.806 HG13 :: 0.515 HD1 :: 0.508 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 113.718 Ave N Shift Values>> N :: 121.6(4.72) V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.33 A 0.01 C Shift Assignments>> C :: 173.149 CA :: 58.695 CB :: 34.850 CG1 :: 20.302 CG2 :: 21.780 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.708 HA :: 4.780 HB :: 2.162 HG1 :: 0.993 HG2 :: 1.009 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.210 Ave N Shift Values>> N :: 121.02(4.96) H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 H 0.36 W 0.19 C Shift Assignments>> C :: 172.927 CA :: 51.880 CB :: 32.095 CE1 :: 135.670 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.848 HA :: 5.705 HB2 :: 2.631 HB3 :: 2.953 HD2 :: 7.027 HE1 :: 7.755 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.150 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.33 A 0.09 C Shift Assignments>> C :: 173.200 CA :: 50.310 CB :: 40.840 CD1 :: 23.406 CD2 :: 25.170 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.425 HA :: 5.197 HB2 :: 1.922 HB3 :: 1.100 HG :: 1.711 HD1 :: 0.971 HD2 :: 1.035 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.911 Ave N Shift Values>> N :: 121.98(4.07) K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.32 C 0.27 Q 0.14 K 0.12 R 0.1 M 0.02 C Shift Assignments>> C :: 174.130 CA :: 51.980 CB :: 33.170 CD :: 27.400 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.673 HA :: 5.582 HB2 :: 1.670 HB3 :: 1.745 HG2 :: 1.218 HG3 :: 0.995 HD2 :: 1.814 HD3 :: 1.814 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.549 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.07 D 0.05 F 0.04 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 168.780 CA :: 43.087 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.550 HA2 :: 4.022 HA3 :: 4.369 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.660 Ave N Shift Values>> N :: 109.91(4.29) D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.3 C 0.12 L 0.1 F 0.04 Y 0.04 K 0.03 HN Overlap>> Q58 C Shift Assignments>> C :: 174.666 CA :: 51.960 CB :: 40.535 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.294 HA :: 4.603 HB2 :: 2.824 HB3 :: 2.684 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.989 Ave N Shift Values>> N :: 120.73(4.2) A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.39 C 0.01 I 0.01 C Shift Assignments>> C :: 177.907 CA :: 53.600 CB :: 16.300 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.004 HA :: 3.832 HB :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.236 Ave N Shift Values>> N :: 123.23(3.7) N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 N 0.15 C Shift Assignments>> C :: 176.023 CA :: 54.389 CB :: 35.642 CG :: 174.450 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.765 HA :: 4.541 HB2 :: 3.006 HB3 :: 2.874 HD21 :: 7.869 HD22 :: 7.049 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.910 ND2 :: 113.720 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 C 0.18 S 0.18 C Shift Assignments>> C :: 174.914 CA :: 64.460 CB :: 65.520 CG2 :: 19.590 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.234 HA :: 3.974 HB :: 4.229 HG2 :: 1.189 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.470 Ave N Shift Values>> N :: 115.7(5.05) L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 A 0.14 L 0.12 C Shift Assignments>> C :: 176.073 CA :: 56.040 CB :: 39.330 CG :: 24.320 CD1 :: 23.970 CD2 :: 21.570 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.164 HA :: 3.808 HB2 :: 1.625 HB3 :: 1.293 HG :: 1.538 HD1 :: 0.629 HD2 :: 0.634 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.440 Ave N Shift Values>> N :: 121.98(4.07) K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 L 0.05 R 0.02 K 0.02 C Shift Assignments>> C :: 176.990 CA :: 57.670 CB :: 29.900 CG :: 22.900 CD :: 26.510 CE :: 39.450 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.972 HA :: 3.872 HB2 :: 2.099 HB3 :: 2.099 HG2 :: 1.627 HG3 :: 1.627 HD2 :: 1.672 HD3 :: 1.672 HE2 :: 3.054 HE3 :: 3.054 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.900 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 I 0.2 C 0.17 V 0.13 L 0.09 T 0.07 R 0.05 M 0.02 W 0.01 C Shift Assignments>> C :: 175.603 CA :: 60.096 CB :: 24.230 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.542 HA :: 4.261 HB2 :: 3.165 HB3 :: 3.054 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.910 Ave N Shift Values>> N :: 119.95(4.79) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.38 A 0.08 C Shift Assignments>> C :: 174.880 CA :: 55.000 CB :: 39.469 CD1 :: 22.660 CD2 :: 24.270 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.146 HA :: 3.836 HB2 :: 1.617 HB3 :: 1.280 HD1 :: 0.949 HD2 :: 0.904 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.320 Ave N Shift Values>> N :: 121.98(4.07) R18 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 L 0.29 C 0.24 R 0.12 C Shift Assignments>> C :: 176.400 CA :: 57.360 CB :: 27.700 CG :: 26.011 CD :: 41.870 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.954 HA :: 3.177 HB2 :: 1.642 HB3 :: 1.890 HG2 :: 1.508 HG3 :: 1.704 HD2 :: 3.307 HD3 :: 3.307 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.294 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 Y 0.29 H 0.03 C Shift Assignments>> C :: 176.561 CA :: 58.750 CB :: 35.600 CD1 :: 130.930 CD2 :: 130.930 CE1 :: 116.230 CE2 :: 116.230 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.348 HA :: 4.299 HB2 :: 3.231 HB3 :: 3.231 HD1 :: 7.263 HD2 :: 7.263 HE1 :: 6.942 HE2 :: 6.942 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.310 Ave N Shift Values>> N :: 120.79(4.69) R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 L 0.33 C 0.24 R 0.06 HN Overlap>> V66 C Shift Assignments>> C :: 177.291 CA :: 56.560 CB :: 27.810 CG :: 25.415 CD :: 41.380 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.724 HA :: 4.233 HB2 :: 2.128 HB3 :: 2.128 HG2 :: 2.009 HG3 :: 1.871 HD2 :: 3.313 HD3 :: 3.391 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.980 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.21 Q 0.17 K 0.14 E 0.08 H 0.02 W 0.02 R 0.02 N 0.02 Y 0.01 HN Overlap>> L63 C Shift Assignments>> C :: 176.460 CA :: 54.424 CB :: 34.480 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.359 HA :: 4.988 HB2 :: 3.500 HB3 :: 3.500 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 6.716 HE2 :: 6.716 HZ :: 7.028 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.776 Ave N Shift Values>> N :: 120.69(4.18) K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 K 0.12 L 0.05 M 0.01 A 0.01 C Shift Assignments>> C :: 176.287 CA :: 57.460 CB :: 29.780 CG :: 22.687 CD :: 27.104 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.802 HA :: 4.392 HB2 :: 2.030 HB3 :: 2.030 HG2 :: 1.415 HG3 :: 1.415 HD2 :: 1.799 HD3 :: 1.799 HE2 :: 3.003 HE3 :: 3.003 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.633 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 A 0.16 L 0.05 K 0.04 M 0.01 C Shift Assignments>> C :: 174.719 CA :: 55.090 CB :: 29.970 CG :: 22.050 CD :: 26.702 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.562 HA :: 4.296 HB2 :: 1.811 HB3 :: 1.725 HG2 :: 1.268 HG3 :: 1.268 HD2 :: 1.721 HD3 :: 1.721 HE2 :: 2.998 HE3 :: 2.998 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.998 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.48 W 0.27 C 0.24 HN Overlap>> D60 C Shift Assignments>> C :: 174.424 CA :: 52.760 CB :: 27.790 CD2 :: 120.680 CE1 :: 135.670 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.079 HA :: 5.212 HB2 :: 3.536 HB3 :: 3.021 HD2 :: 7.000 HE1 :: 7.737 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.580 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 L 0.19 C 0.14 R 0.12 I 0.08 Q 0.03 W 0.02 H 0.02 M 0.01 V 0.01 C Shift Assignments>> C :: 172.393 CA :: 58.089 CB :: 25.055 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.481 HA :: 4.152 HB2 :: 3.099 HB3 :: 3.099 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.303 Ave N Shift Values>> N :: 119.95(4.79) T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.44 T 0.36 C 0.18 C Shift Assignments>> C :: 173.793 CA :: 60.420 CB :: 66.368 CG2 :: 19.880 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.834 HA :: 4.487 HB :: 4.575 HG2 :: 1.355 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.426 Ave N Shift Values>> N :: 115.7(5.05) L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 L 0.24 C 0.23 C Shift Assignments>> C :: 171.126 CA :: 52.330 CB :: 41.190 CD1 :: 23.310 CD2 :: 21.210 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.250 HA :: 4.640 HB2 :: 2.291 HB3 :: 2.154 HG :: 1.755 HD1 :: 0.952 HD2 :: 0.870 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.030 Ave N Shift Values>> N :: 121.98(4.07) Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Y 0.44 C Shift Assignments>> C :: 172.080 CA :: 53.970 CB :: 37.230 CD1 :: 131.630 CD2 :: 131.630 CE1 :: 115.510 CE2 :: 115.510 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.953 HA :: 4.617 HB2 :: 2.619 HB3 :: 2.444 HD1 :: 6.650 HD2 :: 6.650 HE1 :: 6.783 HE2 :: 6.783 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 109.939 Ave N Shift Values>> N :: 120.79(4.69) T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.51 S 0.31 C 0.17 C Shift Assignments>> C :: 172.401 CA :: 60.920 CB :: 66.350 CG2 :: 20.700 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.910 HA :: 4.284 HB :: 4.030 HG2 :: 1.167 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.484 Ave N Shift Values>> N :: 115.7(5.05) A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.06 C 0.04 G 0.01 C Shift Assignments>> C :: 172.163 CA :: 49.510 CB :: 20.180 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.388 HA :: 4.844 HB :: 1.003 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.859 Ave N Shift Values>> N :: 123.23(3.7) V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 A 0.14 V 0.02 C Shift Assignments>> C :: 173.179 CA :: 56.830 CB :: 32.380 CG1 :: 17.430 CG2 :: 20.150 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.935 HA :: 5.541 HB :: 1.830 HG1 :: 1.127 HG2 :: 1.054 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.214 Ave N Shift Values>> N :: 121.02(4.96) S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.933 CA :: 57.087 CB :: 64.730 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.980 HA :: 5.354 HB2 :: 4.230 HB3 :: 3.589 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 127.650 Ave N Shift Values>> N :: 116.3(3.95) S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 HN Overlap>> T76 C Shift Assignments>> C :: 172.020 CA :: 56.500 CB :: 61.380 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.697 HA :: 4.390 HB2 :: 4.333 HB3 :: 3.195 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.180 Ave N Shift Values>> N :: 116.3(3.95) T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.46 S 0.32 C 0.21 C Shift Assignments>> C :: 173.110 CA :: 60.931 CB :: 66.231 CG2 :: 21.720 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.990 HA :: 4.804 HB :: 4.121 HG2 :: 1.218 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.850 Ave N Shift Values>> N :: 115.7(5.05) W35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 169.863(M) CA :: 52.818 CB :: 29.530 CD1 :: 126.700 CE3 :: 116.870 CZ2 :: 111.050(M) CH2 :: 119.800 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.672 HA :: 4.865 HB2 :: 2.963 HB3 :: 2.708 HD1 :: 7.102 HE1 :: 8.569 HE3 :: 6.683 HZ2 :: 6.420 HZ3 :: 3.877 HH2 :: 6.150 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 129.342 NE1 :: 126.010 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.48 W 0.28 C 0.23 C Shift Assignments>> C :: 172.002 CA :: 52.510 CB :: 29.920 CD2 :: 121.015 CE1 :: 135.630 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.071 HA :: 4.318 HB2 :: 3.126 HB3 :: 3.126 HD2 :: 6.842 HE1 :: 7.980 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 110.738 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) W37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 W 0.33 H 0.01 C Shift Assignments>> C :: 174.956 CA :: 54.127 CB :: 29.130 CD1 :: 125.990 CE3 :: 118.510 CZ2 :: 112.230 CZ3 :: 119.480 CH2 :: 122.310 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.822 HA :: 5.280 HB2 :: 3.329 HB3 :: 3.058 HD1 :: 7.110 HE1 :: 10.110 HE3 :: 7.343 HZ2 :: 7.420 HZ3 :: 6.971 HH2 :: 6.865 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.580 NE1 :: 128.490 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 C 0.23 A 0.09 C Shift Assignments>> C :: 172.150 CA :: 58.500 CB :: 69.062 CG2 :: 19.340 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.868 HA :: 4.904 HB :: 4.414 HG2 :: 1.317 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.860 Ave N Shift Values>> N :: 115.7(5.05) G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.3 R 0.25 K 0.12 D 0.08 C 0.07 F 0.06 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> CA :: 42.697 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.144 HA3 :: 4.553 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.57 C 0.31 W 0.1 C Shift Assignments>> C :: 173.220 CA :: 53.500 CB :: 28.730 CD2 :: 117.330 CE1 :: 136.310 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.243 HA :: 4.752 HB2 :: 3.220 HB3 :: 3.140 HD2 :: 6.968 HE1 :: 7.762 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.890 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.45 C Shift Assignments>> C :: 172.855 CA :: 50.860 CB :: 35.900 CG :: 175.430 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.735 HB2 :: 2.824 HB3 :: 2.708 HD21 :: 7.563 HD22 :: 6.890 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 112.120 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.14 I 0.06 C Shift Assignments>> C :: 174.160 CA :: 60.106 CB :: 30.480 CG1 :: 18.250 CG2 :: 19.250 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.690 HA :: 4.093 HB :: 2.124 HG1 :: 0.896 HG2 :: 0.944 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.590 Ave N Shift Values>> N :: 121.02(4.96) K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.74 A 0.13 R 0.03 K 0.02 L 0.02 M 0.02 C Shift Assignments>> CA :: 54.680 CB :: 30.470 CG :: 22.490 CD :: 26.602 CE :: 39.700 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.281 HB2 :: 1.708 HB3 :: 1.741 HG2 :: 1.330 HG3 :: 1.330 HD2 :: 1.831 HD3 :: 1.831 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) H44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.53 C 0.34 W 0.12 C Shift Assignments>> C :: 173.880 CA :: 55.000 CB :: 28.670 CD2 :: 117.250 CE1 :: 136.490 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.687 HB2 :: 3.210 HB3 :: 3.210 HD2 :: 7.071 HE1 :: 7.799 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.68 A 0.19 R 0.04 K 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 174.390 CA :: 54.120 CB :: 30.480 CG :: 22.370 CD :: 26.800 CE :: 39.790 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.437 HB2 :: 1.785 HB3 :: 1.944 HG2 :: 1.484 HG3 :: 1.484 HD2 :: 1.704 HD3 :: 1.704 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.563 CA :: 56.018 CB :: 62.001 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.044 HA :: 4.509 HB2 :: 3.861 HB3 :: 3.789 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.199 Ave N Shift Values>> N :: 116.3(3.95) A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 G 0.07 M 0.06 C 0.02 C Shift Assignments>> C :: 173.383 CA :: 48.970 CB :: 18.231 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.255 HA :: 4.526 HB :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.601 Ave N Shift Values>> N :: 123.23(3.7) I48 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.7 I 0.28 A 0.01 C Shift Assignments>> C :: 172.775 CA :: 58.162 CB :: 38.430 CG1 :: 24.630 CG2 :: 15.820 CD1 :: 10.900 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.495 HA :: 4.828 HB :: -1.040(M) HG2 :: 0.050 HG12 :: 0.809 HG13 :: 0.061 HD1 :: -0.489(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.093 Ave N Shift Values>> N :: 121.6(4.72) SRO Rule Breaks>> (HB > HG2 : 0.9950) (HB > HD1 : 0.9941) V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.38 I 0.01 C Shift Assignments>> C :: 171.976 CA :: 59.780 CB :: 34.230 CG1 :: 23.210 CG2 :: 20.162 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.458 HA :: 4.011 HB :: 1.805 HG1 :: 0.947 HG2 :: 1.021 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.500 Ave N Shift Values>> N :: 121.02(4.96) T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.17 S 0.01 A 0.01 C Shift Assignments>> C :: 171.844 CA :: 59.059 CB :: 68.512 CG2 :: 20.710 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.246 HA :: 5.618 HB :: 3.670 HG2 :: 1.437 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.496 Ave N Shift Values>> N :: 115.7(5.05) L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.2 G 0.06 R 0.05 A 0.01 C Shift Assignments>> C :: 173.712 CA :: 53.308 CB :: 42.891 CG :: 27.170 CD1 :: 23.960 CD2 :: 24.780 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.288 HA :: 5.507 HB2 :: 1.432 HB3 :: 1.043 HG :: 1.468 HD1 :: 0.662 HD2 :: -0.121 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.155 Ave N Shift Values>> N :: 121.98(4.07) T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.36 T 0.36 C 0.25 C Shift Assignments>> C :: 171.059 CA :: 56.604 CB :: 68.796 CG2 :: 20.410 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.157 HA :: 5.026 HB :: 4.007 HG2 :: 0.899 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.446 Ave N Shift Values>> N :: 115.7(5.05) Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Y 0.43 C Shift Assignments>> C :: 173.730 CA :: 54.936 CB :: 40.883 CD1 :: 130.850 CD2 :: 130.850 CE1 :: 115.260 CE2 :: 115.260 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.330 HA :: 4.925 HB2 :: 3.661 HB3 :: 2.357 HD1 :: 6.780 HD2 :: 6.780 HE1 :: 6.390 HE2 :: 6.390 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.093 Ave N Shift Values>> N :: 120.79(4.69) D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.29 C 0.12 L 0.09 F 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 174.459 CA :: 53.037 CB :: 39.947 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.479 HA :: 4.663 HB2 :: 2.730 HB3 :: 2.645 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.419 Ave N Shift Values>> N :: 120.73(4.2) S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.539 CA :: 54.675 CB :: 63.370 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.539 HA :: 4.856 HB2 :: 4.340 HB3 :: 4.340 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 105.881 Ave N Shift Values>> N :: 116.3(3.95) E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 E 0.36 Q 0.05 C Shift Assignments>> C :: 175.943 CA :: 58.471 CB :: 27.212 CG :: 36.200 CD :: 181.080 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.594 HA :: 3.802 HB2 :: 2.360 HB3 :: 2.176 HG2 :: 2.545 HG3 :: 2.324 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.727 Ave N Shift Values>> N :: 120.68(3.68) W57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 W 0.34 C Shift Assignments>> C :: 175.976 CA :: 58.911 CB :: 26.341 CD1 :: 125.350 CE3 :: 118.430 CZ2 :: 112.560 CZ3 :: 119.650 CH2 :: 122.430 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.436 HA :: 4.448 HB2 :: 3.513 HB3 :: 3.354 HD1 :: 7.378 HE1 :: 10.200 HE3 :: 7.528 HZ2 :: 7.468 HZ3 :: 7.197 HH2 :: 7.245 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.871 NE1 :: 129.520 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 Q 0.02 HN Overlap>> D10 C Shift Assignments>> C :: 175.230 CA :: 57.148 CB :: 27.668 CG :: 31.860 CD :: 176.330 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.345 HA :: 3.613 HB2 :: 2.601 HB3 :: 2.302 HG2 :: 2.837 HG3 :: 2.551 HE21 :: 7.096 HE22 :: 6.371 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.896 NE2 :: 110.890 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.42 C 0.35 K 0.19 A 0.01 C Shift Assignments>> C :: 175.073 CA :: 57.130 CB :: 27.640 CG :: 22.360 CD :: 41.930 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.353 HA :: 2.989 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 0.662(S) HG3 :: 0.624(S) HD2 :: 2.946 HD3 :: 2.380(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.975 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 N 0.22 Y 0.15 E 0.12 F 0.09 D 0.06 M 0.03 I 0.02 L 0.01 K 0.01 HN Overlap>> H24 C Shift Assignments>> C :: 177.854 CA :: 55.035 CB :: 37.562 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.114 HA :: 4.356 HB2 :: 2.819 HB3 :: 2.593 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.588 Ave N Shift Values>> N :: 120.73(4.2) Q61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.98 Q 0.01 C Shift Assignments>> C :: 176.297 CA :: 56.206 CB :: 26.140 CG :: 30.485 CD :: 177.800 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.031 HA :: 3.844 HB2 :: 2.019 HB3 :: 1.890 HG2 :: 1.578 HG3 :: 1.347(S) HE21 :: 6.671 HE22 :: 6.644 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.326 NE2 :: 112.470 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F62 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 F 0.36 C Shift Assignments>> C :: 174.655 CA :: 60.114 CB :: 36.010 CD1 :: 130.095 CD2 :: 130.095 CE1 :: 130.850 CE2 :: 130.850 CZ :: 128.300 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.694 HA :: 3.958 HB2 :: 4.066 HB3 :: 3.549 HD1 :: 7.240 HD2 :: 7.240 HE1 :: 6.700 HE2 :: 6.700 HZ :: 7.051 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.683 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HA > HB2 : 0.9952) L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 C 0.44 L 0.02 HN Overlap>> F21 C Shift Assignments>> C :: 176.866 CA :: 54.467 CB :: 38.970 CG :: 25.030 CD1 :: 20.190 CD2 :: 23.410 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.432 HA :: 4.112 HB2 :: 1.923 HB3 :: 1.545 HG :: 1.980 HD1 :: 1.031 HD2 :: 0.889 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.770 Ave N Shift Values>> N :: 121.98(4.07) S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.555 CA :: 57.650 CB :: 61.460 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.798 HA :: 4.418 HB2 :: 4.012 HB3 :: 3.948 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.919 Ave N Shift Values>> N :: 116.3(3.95) Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 Q 0.25 C Shift Assignments>> C :: 174.107 CA :: 54.730 CB :: 28.340 CG :: 32.115 CD :: 177.870 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.648 HA :: 4.281 HB2 :: 1.958 HB3 :: 1.703 HG2 :: 2.387 HG3 :: 2.307 HE21 :: 7.270 HE22 :: 6.790 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.729 NE2 :: 111.410 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 I 0.21 V 0.02 HN Overlap>> R20 C Shift Assignments>> C :: 172.569 CA :: 59.820 CB :: 29.090 CG1 :: 18.520 CG2 :: 17.707 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.738 HA :: 3.643 HB :: 1.256 HG1 :: 0.441 HG2 :: 0.005 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.080 Ave N Shift Values>> N :: 121.02(4.96) K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 A 0.26 L 0.13 K 0.02 C Shift Assignments>> C :: 173.698 CA :: 53.380 CB :: 29.584 CG :: 22.330 CD :: 26.410 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.113 HA :: 4.269 HB2 :: 1.804 HB3 :: 1.733 HG2 :: 1.351 HG3 :: 1.351 HD2 :: 1.695 HD3 :: 1.695 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.890 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 A 0.06 I 0.01 C Shift Assignments>> C :: 172.800 CA :: 54.750 CB :: 36.990 CG1 :: 25.060 CG2 :: 14.610 CD1 :: 9.650 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.534 HA :: 4.579 HB :: 1.921 HG2 :: 1.031 HG12 :: 1.605 HG13 :: 1.322 HD1 :: 0.917 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.600 Ave N Shift Values>> N :: 121.6(4.72) P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.83 P 0.15 C Shift Assignments>> C :: 175.419 CA :: 60.645 CB :: 30.642 CG :: 24.790 CD :: 49.510 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.606 HB2 :: 2.542 HB3 :: 2.029 HG2 :: 2.124 HG3 :: 1.979 HD2 :: 3.554 HD3 :: 3.989 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) K70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 M 0.14 K 0.1 L 0.08 R 0.03 A 0.03 V 0.03 C Shift Assignments>> C :: 174.749 CA :: 55.759 CB :: 29.680 CG :: 22.830 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.727 HA :: 4.372 HB2 :: 2.052 HB3 :: 1.998 HG2 :: 1.663 HG3 :: 1.663 HD2 :: 3.020(S) HD3 :: 3.020(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.700 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.55 T 0.23 C 0.19 A 0.01 C Shift Assignments>> C :: 172.274 CA :: 59.560 CB :: 66.130 CG2 :: 20.420 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.140 HA :: 4.250 HB :: 4.569 HG2 :: 1.338 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.218 Ave N Shift Values>> N :: 115.7(5.05) I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 A 0.33 C Shift Assignments>> C :: 172.991 CA :: 54.672 CB :: 35.090 CG1 :: 24.760 CG2 :: 16.620 CD1 :: 7.910 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.863 HA :: 4.801 HB :: 2.218 HG2 :: 0.806 HG12 :: 1.573 HD1 :: 0.727 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.884 Ave N Shift Values>> N :: 121.6(4.72) T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.21 S 0.07 A 0.01 C Shift Assignments>> C :: 171.529 CA :: 59.850 CB :: 67.996 CG2 :: 19.080 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.006 HA :: 4.534 HB :: 4.141 HG2 :: 1.296 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.360 Ave N Shift Values>> N :: 115.7(5.05) V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.3 C Shift Assignments>> C :: 174.203 CA :: 59.540 CB :: 31.292 CG1 :: 19.400 CG2 :: 19.200 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.819 HA :: 4.723 HB :: 2.117 HG1 :: 1.013 HG2 :: 0.939 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.071 Ave N Shift Values>> N :: 121.02(4.96) S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 171.290 CA :: 54.669 CB :: 63.096 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.138 HA :: 5.169 HB2 :: 4.091 HB3 :: 3.862 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.038 Ave N Shift Values>> N :: 116.3(3.95) T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.35 T 0.32 C 0.27 S 0.04 HN Overlap>> S33 C Shift Assignments>> C :: 171.802 CA :: 57.386 CB :: 68.236 CG2 :: 19.330 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.685 HA :: 4.963 HB :: 4.184 HG2 :: 1.169 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.150 Ave N Shift Values>> N :: 115.7(5.05) G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.1 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 170.176 CA :: 43.510 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.445 HA2 :: 4.323 HA3 :: 4.183 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.333 Ave N Shift Values>> N :: 109.91(4.29) F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 F 0.2 G 0.16 Y 0.1 C Shift Assignments>> C :: 172.243 CA :: 54.401 CB :: 42.954 CD1 :: 129.200 CD2 :: 129.200 CE1 :: 130.010 CE2 :: 130.010 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.058 HA :: 5.698 HB2 :: 3.041 HB3 :: 2.848 HD1 :: 7.403 HD2 :: 7.403 HE1 :: 7.095 HE2 :: 7.095 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.762 Ave N Shift Values>> N :: 120.69(4.18) M79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.25 A 0.07 I 0.02 C Shift Assignments>> C :: 172.530 CA :: 53.428 CB :: 36.610 CE :: 14.480 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.303 HA :: 5.239 HB2 :: 2.259 HB3 :: 2.259 HG2 :: 2.590 HG3 :: 2.868 HE :: 2.354 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.217 Ave N Shift Values>> N :: 120.1(3.88) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 170.528 CA :: 56.272 CB :: 61.170 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.098 HA :: 4.991 HB2 :: 4.207 HB3 :: 3.839 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.742 Ave N Shift Values>> N :: 116.3(3.95) I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.47 C Shift Assignments>> C :: 178.310 CA :: 60.100 CB :: 37.540 CG1 :: 25.560 CG2 :: 15.530 CD1 :: 11.450 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.346 HA :: 4.391 HB :: 1.920 HG2 :: 0.985 HG12 :: 1.324 HG13 :: 1.490 HD1 :: 0.668 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.722 Ave N Shift Values>> N :: 121.6(4.72) ########################################################################### Overall Results: #Consistent: 74 #Clerical: 0 #Suspicious: 5 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 81 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 78 #Suspicious: 3 C Shift Results: #Consistent: 372 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 H Shift Results: #Consistent: 475 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 1 N Shift Results: #Consistent: 81 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: R18 SRO Rule Break>> HA > HD2 : 0.991153846153846 W35 C = 169.863(M), Expected = 176.10, Std = 1.8900, ChiSquare = 9.6685e-04 W35 CZ2 = 111.050(M), Expected = 114.19, Std = 1.0900, ChiSquare = 3.9675e-03 I48 HB = -1.040(M), Expected = 1.80, Std = 0.3100, ChiSquare = 5.1280e-20 I48 HD1 = -0.489(S), Expected = 0.70, Std = 0.3000, ChiSquare = 7.3910e-05 I48 SRO Rule Break>> HB > HG2 : 0.995042961004627 I48 SRO Rule Break>> HB > HD1 : 0.994137931034483 R59 HG2 = 0.662(S), Expected = 1.58, Std = 0.2700, ChiSquare = 6.7386e-04 R59 HG3 = 0.624(S), Expected = 1.58, Std = 0.2700, ChiSquare = 3.9901e-04 R59 HD3 = 2.380(S), Expected = 3.13, Std = 0.2200, ChiSquare = 6.5180e-04 Q61 HG3 = 1.347(S), Expected = 2.32, Std = 0.2900, ChiSquare = 7.9316e-04 F62 SRO Rule Break>> HA > HB2 : 0.995201919232307 K70 HD2 = 3.020(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.7005e-08 K70 HD3 = 3.020(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.7005e-08