M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.195 HB2 :: 1.515 HB3 :: 1.421 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) S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.116 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 :: 121.225 Ave N Shift Values>> N :: 116.3(3.95) M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.41 Q 0.29 K 0.19 E 0.06 R 0.03 C Shift Assignments>> C :: 171.707 CA :: 54.948 CB :: 32.912 CG :: 30.891 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 :: 4.059 HB2 :: 2.077 HB3 :: 2.056 HG2 :: 2.532 HG3 :: 2.479 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) D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.15 N 0.09 F 0.07 Y 0.06 R 0.06 C Shift Assignments>> C :: 176.597 CA :: 54.037 CB :: 41.534 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 :: 8.720 HA :: 4.674 HB2 :: 2.797 HB3 :: 2.671 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 :: 124.768 Ave N Shift Values>> N :: 120.73(4.2) Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 E 0.24 M 0.09 R 0.03 I 0.03 HN Overlap>> L61 C Shift Assignments>> C :: 177.566 CA :: 58.384 CB :: 29.619 CG :: 34.211 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 :: 8.925 HA :: 4.097 HB2 :: 2.299 HB3 :: 2.125 HG2 :: 2.504 HG3 :: 2.412 HE21 :: 7.502 HE22 :: 6.647 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.863 NE2 :: 111.24 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> K65 C Shift Assignments>> C :: 177.491 CA :: 66.958 CB :: 31.342 CG1 :: 21.165 CG2 :: 22.946 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 :: 8.282 HA :: 3.470 HB :: 2.193 HG1 :: 0.934 HG2 :: 1.084 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 :: 119.352 Ave N Shift Values>> N :: 121.02(4.96) V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.466 CA :: 66.182 CB :: 31.734 CG1 :: 21.065 CG2 :: 22.570 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 :: 7.180 HA :: 3.554 HB :: 2.074 HG1 :: 0.897 HG2 :: 0.999 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 :: 118.509 Ave N Shift Values>> N :: 121.02(4.96) I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.922 CA :: 63.763 CB :: 37.743 CG1 :: 28.470 CG2 :: 15.816 CD1 :: 12.753 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 :: 7.295 HA :: 3.578 HB :: 1.593 HG2 :: 0.060 HG12 :: 1.399 HG13 :: 1.017 HD1 :: 0.662 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 :: 119.150 Ave N Shift Values>> N :: 121.6(4.72) F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.39 C Shift Assignments>> C :: 177.812 CA :: 63.018 CB :: 38.761 CD1 :: 131.2 CD2 :: 131.2 CZ :: 130.0 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 :: 8.027 HA :: 4.274 HB2 :: 2.918 HB3 :: 2.796 HD1 :: 7.240 HD2 :: 7.240 HZ :: 7.298 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 :: 116.150 Ave N Shift Values>> N :: 120.69(4.18) K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.27 G 0.03 M 0.02 C Shift Assignments>> C :: 178.217 CA :: 60.553 CB :: 32.432 CG :: 25.029 CD :: 29.279 CE :: 42.367 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 :: 9.038 HA :: 3.922 HB2 :: 1.938 HB3 :: 1.926 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 :: 123.262 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.3 E 0.17 R 0.08 I 0.08 M 0.02 P 0.01 C Shift Assignments>> C :: 179.475 CA :: 59.413 CB :: 28.154 CG :: 34.100 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 :: 7.798 HA :: 4.091 HB2 :: 2.224 HB3 :: 2.115 HG2 :: 2.638 HG3 :: 2.367 HE21 :: 7.371 HE22 :: 6.656 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.404 NE2 :: 110.553 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.980 CA :: 65.971 CB :: 39.663 CG1 :: 29.110 CG2 :: 17.773 CD1 :: 14.187 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 :: 7.492 HA :: 3.883 HB :: 1.990 HG2 :: 0.903 HG12 :: 1.932 HG13 :: 1.000 HD1 :: 0.231 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 :: 120.167 Ave N Shift Values>> N :: 121.6(4.72) F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 Y 0.38 C Shift Assignments>> C :: 178.983 CA :: 62.016 CB :: 38.844 CD1 :: 131.1 CD2 :: 131.1 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 :: 8.692 HA :: 3.939 HB2 :: 3.094 HB3 :: 2.661 HD1 :: 7.424 HD2 :: 7.424 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 :: 118.744 Ave N Shift Values>> N :: 120.69(4.18) D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.31 I 0.11 D 0.08 L 0.05 N 0.03 E 0.03 K 0.01 C Shift Assignments>> C :: 178.352 CA :: 57.498 CB :: 39.213 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 :: 9.195 HA :: 4.260 HB2 :: 2.736 HB3 :: 2.476 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 :: 121.180 Ave N Shift Values>> N :: 120.73(4.2) K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.23 M 0.04 G 0.01 C Shift Assignments>> C :: 178.725 CA :: 59.967 CB :: 32.321 CG :: 24.196 CD :: 29.325 CE :: 41.835 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 :: 7.644 HA :: 3.919 HB2 :: 1.817 HB3 :: 1.766 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 :: 119.774 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.97 I 0.02 C Shift Assignments>> C :: 176.888 CA :: 63.962 CB :: 30.240 CG1 :: 18.987 CG2 :: 20.168 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 :: 7.158 HA :: 3.895 HB :: 1.179 HG1 :: -0.513(S) HG2 :: -0.698(S) 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 :: 118.073 Ave N Shift Values>> N :: 121.02(4.96) R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 R 0.44 L 0.01 C Shift Assignments>> C :: 176.123 CA :: 59.191 CB :: 29.754 CG :: 27.257 CD :: 44.672 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 :: 6.898 HA :: 3.375 HB2 :: 1.562 HB3 :: 1.445 HE :: 6.294 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 :: 119.194 NE :: 108.8 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.16 F 0.16 Y 0.15 N 0.12 K 0.08 I 0.01 R 0.01 HN Overlap>> F128 C Shift Assignments>> C :: 176.020 CA :: 55.272 CB :: 40.336 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.301 HA :: 4.716 HB2 :: 2.742 HB3 :: 2.741 HD21 :: 7.613 HD22 :: 6.878 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 :: 115.290 ND2 :: 114.193 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.19 N 0.16 K 0.1 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.742 CA :: 53.736 CB :: 40.965 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 :: 8.740 HA :: 4.519 HB2 :: 2.861 HB3 :: 2.373 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 :: 116.804 Ave N Shift Values>> N :: 120.73(4.2) L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.04 C Shift Assignments>> C :: 175.868 CA :: 55.585 CB :: 39.226 CG :: 27.163 CD1 :: 26.422 CD2 :: 23.399 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 :: 8.797 HA :: 3.757 HB2 :: 2.072 HB3 :: 1.664 HG :: 1.472 HD1 :: 1.037 HD2 :: 1.085 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 :: 117.199 Ave N Shift Values>> N :: 121.98(4.07) N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 M 0.16 P 0.13 E 0.05 K 0.04 Y 0.03 Q 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 176.927 CA :: 51.006 CB :: 35.706 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 :: 8.622 HA :: 4.938 HB2 :: 3.028 HB3 :: 2.446 HD21 :: 7.486 HD22 :: 6.891 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 :: 116.821 ND2 :: 111.35 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.758 CA :: 63.097 CB :: 37.871 CD1 :: 132.5 CD2 :: 132.5 CE1 :: 117.4 CE2 :: 117.4 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.181 HA :: 3.708 HB2 :: 2.945 HB3 :: 2.790 HD1 :: 6.793 HD2 :: 6.793 HE1 :: 6.33 HE2 :: 6.33 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 :: 126.893 Ave N Shift Values>> N :: 120.79(4.69) Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 Q 0.27 E 0.18 I 0.13 R 0.08 P 0.03 M 0.01 HN Overlap>> H113 C Shift Assignments>> C :: 179.263 CA :: 59.812 CB :: 27.831 CG :: 34.335 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 :: 8.605 HA :: 4.231 HB2 :: 2.262 HB3 :: 2.262 HG2 :: 2.550 HG3 :: 2.496 HE21 :: 7.670 HE22 :: 7.018 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 :: 120.329 NE2 :: 112.984 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.96 H 0.03 C Shift Assignments>> C :: 177.340 CA :: 61.121 CB :: 29.541 CD1 :: 127.836 CE3 :: 120.76 CZ2 :: 115.147 CZ3 :: 122.0 CH2 :: 124.6 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 :: 7.669 HA :: 3.990 HB2 :: 3.228 HB3 :: 2.966 HD1 :: 7.326 HE1 :: 10.253 HE3 :: 7.470 HZ2 :: 7.409 HZ3 :: 7.197 HH2 :: 7.144 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 :: 120.919 NE1 :: 130.937 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 F 0.36 C Shift Assignments>> C :: 176.520 CA :: 60.423 CB :: 40.356 CD1 :: 129.5 CD2 :: 129.5 CE1 :: 131.9 CE2 :: 131.9 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 :: 7.393 HA :: 3.870 HB2 :: 2.850 HB3 :: 2.693 HD1 :: 5.690 HD2 :: 5.690 HE1 :: 7.066 HE2 :: 7.066 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 :: 119.654 Ave N Shift Values>> N :: 120.69(4.18) Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 H 0.01 C Shift Assignments>> C :: 179.514 CA :: 60.763 CB :: 36.784 CD1 :: 132.8 CD2 :: 132.8 CE1 :: 118.4 CE2 :: 118.4 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.927 HA :: 4.011 HB2 :: 3.076 HB3 :: 2.943 HD1 :: 7.02 HD2 :: 7.02 HE1 :: 7.052 HE2 :: 7.052 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 :: 117.887 Ave N Shift Values>> N :: 120.79(4.69) S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.988 CA :: 61.884 CB :: 62.837 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.585 HA :: 4.106 HB2 :: 3.888 HB3 :: 3.821 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 :: 115.380 Ave N Shift Values>> N :: 116.3(3.95) E31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.3 K 0.29 E 0.25 I 0.05 R 0.04 M 0.03 HN Overlap>> Y96 Q137 C Shift Assignments>> C :: 180.421 CA :: 58.314 CB :: 28.756 CG :: 34.48 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.215 HA :: 3.870 HB2 :: 1.378 HB3 :: 1.213(S) HG2 :: 1.236(S) HG3 :: 1.433(S) 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 :: 123.629 Ave N Shift Values>> N :: 120.68(3.68) L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.2 V 0.06 A 0.05 C Shift Assignments>> C :: 179.564 CA :: 58.337 CB :: 40.296 CG :: 25.368 CD1 :: 28.060 CD2 :: 22.167 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 :: 8.387 HA :: 3.890 HB2 :: 1.869 HB3 :: 0.981 HG :: 1.222 HD1 :: 0.352 HD2 :: 0.622 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 :: 119.659 Ave N Shift Values>> N :: 121.98(4.07) K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 R 0.3 K 0.09 M 0.03 HN Overlap>> K85 K87 C Shift Assignments>> C :: 180.726 CA :: 60.135 CB :: 32.242 CG :: 25.184 CD :: 29.603 CE :: 44.389 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 :: 7.931 HA :: 4.047 HB2 :: 1.986 HB3 :: 1.819 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 :: 120.615 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.19 G 0.11 HN Overlap>> V105 C Shift Assignments>> C :: 177.161 CA :: 58.796 CB :: 30.326 CG :: 27.946 CD :: 43.289 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.025 HA :: 4.003 HB2 :: 1.753 HB3 :: 1.637 HG2 :: 1.374 HG3 :: 1.507 HD2 :: 2.984 HD3 :: 2.983 HE :: 7.295 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 :: 120.314 NE :: 83.532 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.52 W 0.47 C Shift Assignments>> C :: 173.102 CA :: 56.069 CB :: 27.993 CD2 :: 120.9 CE1 :: 136.6 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 :: 7.452 HA :: 4.564 HB2 :: 3.757 HB3 :: 2.788 HD2 :: 7.354 HE1 :: 8.584 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.753 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 E 0.19 Y 0.16 F 0.08 M 0.08 D 0.05 K 0.02 I 0.01 C Shift Assignments>> C :: 173.960 CA :: 54.508 CB :: 37.094 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.931 HA :: 4.474 HB2 :: 3.198 HB3 :: 2.971 HD21 :: 7.524 HD22 :: 6.936 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 :: 112.629 ND2 :: 112.761 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.769 CA :: 64.282 CB :: 32.616 CG1 :: 21.37 CG2 :: 24.612 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 :: 7.758 HA :: 3.779 HB :: 1.723 HG1 :: 0.818 HG2 :: 0.974 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 :: 117.184 Ave N Shift Values>> N :: 121.02(4.96) S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.342 CA :: 58.743 CB :: 63.177 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.260 HA :: 4.652 HB2 :: 3.711 HB3 :: 3.668 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 :: 120.976 Ave N Shift Values>> N :: 116.3(3.95) H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.57 W 0.42 C Shift Assignments>> C :: 171.417 CA :: 54.974 CB :: 31.205 CD2 :: 118.9 CE1 :: 138.8 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 :: 8.163 HA :: 5.434 HB2 :: 3.515 HB3 :: 3.030 HD2 :: 6.567 HE1 :: 8.429 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.621 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.81 G 0.18 C Shift Assignments>> C :: 171.539 CA :: 55.983 CB :: 43.155 CD1 :: 132.5 CD2 :: 132.5 CE1 :: 117.4 CE2 :: 117.4 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.531 HA :: 5.699 HB2 :: 3.069 HB3 :: 2.784 HD1 :: 6.793 HD2 :: 6.793 HE1 :: 6.315 HE2 :: 6.315 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 :: 113.153 Ave N Shift Values>> N :: 120.79(4.69) I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 G 0.01 C Shift Assignments>> C :: 173.107 CA :: 60.513 CB :: 41.311 CG1 :: 28.624 CG2 :: 19.479 CD1 :: 15.330 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 :: 9.142 HA :: 4.829 HB :: 1.625 HG2 :: 0.251 HG12 :: 1.578 HG13 :: 1.139 HD1 :: 0.901 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 :: 120.729 Ave N Shift Values>> N :: 121.6(4.72) Y42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.97 G 0.02 C Shift Assignments>> C :: 174.581 CA :: 55.997 CB :: 41.835 CD1 :: 133.5 CD2 :: 133.5 CE1 :: 116.6 CE2 :: 116.6 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 :: 9.319 HA :: 4.453 HB2 :: 2.040 HB3 :: 1.487(S) HD1 :: 6.220 HD2 :: 6.220 HE1 :: 6.512 HE2 :: 6.512 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 :: 131.706 Ave N Shift Values>> N :: 120.79(4.69) Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 H 0.01 C Shift Assignments>> C :: 175.715 CA :: 58.786 CB :: 37.086 CD1 :: 133.1 CD2 :: 133.1 CE1 :: 117.830 CE2 :: 117.830 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.215 HA :: 4.044 HB2 :: 2.887 HB3 :: 2.703 HD1 :: 6.757 HD2 :: 6.757 HE1 :: 6.370 HE2 :: 6.370 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 :: 126.539 Ave N Shift Values>> N :: 120.79(4.69) L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.15 G 0.1 C Shift Assignments>> C :: 178.782 CA :: 61.260 CB :: 42.777 CG :: 30.560 CD1 :: 26.788 CD2 :: 25.980 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.570 HA :: 3.648 HB2 :: 1.601 HB3 :: 1.463 HG :: 1.602 HD1 :: 1.083 HD2 :: 0.958 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 :: 126.182 Ave N Shift Values>> N :: 121.98(4.07) A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.22 I 0.07 V 0.03 T 0.01 L 0.01 C Shift Assignments>> C :: 178.552 CA :: 56.300 CB :: 18.988 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.686 HA :: 4.167 HB :: 1.526 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.961 Ave N Shift Values>> N :: 123.23(3.7) T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.147 CA :: 60.634 CB :: 71.059 CG2 :: 21.969 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 :: 6.710 HA :: 4.075 HB :: 4.016 HG1 :: 5.225 HG2 :: 1.114 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 :: 99.826 Ave N Shift Values>> N :: 115.7(5.05) E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 L 0.14 E 0.11 K 0.01 C Shift Assignments>> C :: 174.286 CA :: 58.492 CB :: 27.463 CG :: 38.909 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.111 HA :: 3.469 HB2 :: 2.410 HB3 :: 2.080 HG2 :: 2.22 HG3 :: 2.13 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 :: 114.270 Ave N Shift Values>> N :: 120.68(3.68) N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.12 Y 0.08 F 0.05 E 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 174.821 CA :: 52.739 CB :: 37.814 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.402 HA :: 4.803 HB2 :: 2.583 HB3 :: 2.455 HD21 :: 7.128 HD22 :: 6.841 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 :: 116.241 ND2 :: 109.947 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 HN Overlap>> H146 C Shift Assignments>> C :: 175.580 CA :: 60.214 CB :: 34.716 CG1 :: 22.494 CG2 :: 20.870 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 :: 8.572 HA :: 4.981 HB :: 1.311 HG1 :: 0.392 HG2 :: 0.159 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 :: 119.907 Ave N Shift Values>> N :: 121.02(4.96) H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.73 W 0.26 C Shift Assignments>> C :: 173.563 CA :: 53.383 CB :: 30.520 CD2 :: 118.0 CE1 :: 137.3 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 :: 9.400 HA :: 5.101 HB2 :: 3.242 HB3 :: 3.183 HD2 :: 6.807 HE1 :: 8.468 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 :: 126.451 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.608 CA :: 61.822 CB :: 39.092 CG1 :: 28.631 CG2 :: 18.652 CD1 :: 14.798 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 :: 9.325 HA :: 4.088 HB :: 1.611 HG2 :: 0.257 HG12 :: 1.294 HG13 :: 0.403 HD1 :: 0.167 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 :: 127.908 Ave N Shift Values>> N :: 121.6(4.72) V52 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.900 CA :: 61.826 CB :: 32.102 CG1 :: 20.906 CG2 :: 20.733 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 :: 8.764 HA :: 4.432 HB :: 0.782(S) HG1 :: 0.886 HG2 :: 0.582 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 :: 127.336 Ave N Shift Values>> N :: 121.02(4.96) SRO Rule Breaks>> (HB > HG1 : 0.9918) L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.14 A 0.02 G 0.01 C Shift Assignments>> C :: 179.213 CA :: 54.264 CB :: 41.868 CG :: 27.710 CD1 :: 25.511 CD2 :: 23.878 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 :: 8.813 HA :: 4.878 HB2 :: 2.099 HB3 :: 1.693 HG :: 1.543 HD1 :: 0.942 HD2 :: 0.784 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 :: 127.461 Ave N Shift Values>> N :: 121.98(4.07) K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.3 M 0.02 G 0.01 C Shift Assignments>> C :: 176.288 CA :: 59.486 CB :: 32.167 CG :: 25.633 CD :: 29.285 CE :: 41.810 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 :: 8.653 HA :: 3.969 HB2 :: 1.845 HB3 :: 1.744 HG2 :: 1.35 HG3 :: 1.35 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 :: 121.200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 Y 0.07 E 0.07 D 0.06 M 0.05 F 0.04 K 0.01 C Shift Assignments>> C :: 175.390 CA :: 52.504 CB :: 37.043 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.782 HA :: 4.512 HB2 :: 3.174 HB3 :: 2.710 HD21 :: 7.420 HD22 :: 6.595 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.961 ND2 :: 108.5 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.24 N 0.12 D 0.12 E 0.07 I 0.06 L 0.04 M 0.01 C Shift Assignments>> C :: 175.538 CA :: 56.309 CB :: 38.595 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 :: 8.109 HA :: 4.192 HB2 :: 3.050 HB3 :: 2.905 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 :: 112.003 Ave N Shift Values>> N :: 120.73(4.2) N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.24 Y 0.1 F 0.09 L 0.05 E 0.01 C Shift Assignments>> C :: 174.117 CA :: 53.489 CB :: 38.933 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.925 HA :: 4.703 HB2 :: 2.897 HB3 :: 2.757 HD21 :: 7.169 HD22 :: 7.021 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 :: 118.749 ND2 :: 111.127 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.329 CA :: 60.694 CB :: 71.557 CG2 :: 21.471 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 :: 8.328 HA :: 5.305 HB :: 3.765 HG2 :: 0.907 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 :: 113.429 Ave N Shift Values>> N :: 115.7(5.05) V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.482 CA :: 61.392 CB :: 34.854 CG1 :: 21.142 CG2 :: 20.926 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 :: 9.041 HA :: 4.036 HB :: 1.448 HG1 :: 0.766 HG2 :: 0.769 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 :: 125.682 Ave N Shift Values>> N :: 121.02(4.96) L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 G 0.08 R 0.04 A 0.02 C Shift Assignments>> C :: 175.794 CA :: 53.302 CB :: 42.886 CG :: 27.301 CD1 :: 23.909 CD2 :: 24.252 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 :: 8.468 HA :: 4.990 HB2 :: 1.399 HB3 :: 1.397 HG :: 1.200 HD1 :: 0.578 HD2 :: 0.497 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 :: 128.810 Ave N Shift Values>> N :: 121.98(4.07) L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 A 0.02 R 0.02 G 0.01 HN Overlap>> Q8 C Shift Assignments>> C :: 176.347 CA :: 52.775 CB :: 41.728 CG :: 26.506 CD1 :: 25.207 CD2 :: 23.890 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 :: 8.840 HA :: 4.572 HB2 :: 1.365 HB3 :: 1.300 HG :: 1.211 HD1 :: 0.297 HD2 :: 0.698 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 :: 122.844 Ave N Shift Values>> N :: 121.98(4.07) K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.28 M 0.04 G 0.01 C Shift Assignments>> C :: 177.321 CA :: 55.536 CB :: 33.327 CG :: 24.993 CD :: 29.146 CE :: 42.089 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 :: 8.463 HA :: 4.298 HB2 :: 1.677 HB3 :: 1.614 HG2 :: 1.360 HG3 :: 1.244 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 :: 124.272 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 R 0.05 C Shift Assignments>> C :: 174.256 CA :: 45.178 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.495 HA2 :: 3.979 HA3 :: 3.926 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.645 Ave N Shift Values>> N :: 109.91(4.29) L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.08 A 0.03 G 0.01 C Shift Assignments>> C :: 176.893 CA :: 54.948 CB :: 41.875 CG :: 26.977 CD1 :: 25.255 CD2 :: 23.312 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 :: 8.251 HA :: 4.260 HB2 :: 1.643 HB3 :: 1.605 HG :: 1.541 HD1 :: 0.864 HD2 :: 0.791 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 :: 120.096 Ave N Shift Values>> N :: 121.98(4.07) K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.39 M 0.04 G 0.01 HN Overlap>> V9 S69 C Shift Assignments>> C :: 175.960 CA :: 56.551 CB :: 31.902 CG :: 24.852 CD :: 28.864 CE :: 42.191 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 :: 8.319 HA :: 4.177 HB2 :: 1.856 HB3 :: 1.781 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 :: 119.450 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.18 Y 0.07 F 0.06 L 0.02 E 0.01 C Shift Assignments>> C :: 174.689 CA :: 52.609 CB :: 38.478 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 :: 8.382 HA :: 4.736 HB2 :: 2.624 HB3 :: 2.784 HD21 :: 7.714 HD22 :: 6.815 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 :: 120.038 ND2 :: 113.0 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.645 CA :: 60.849 CB :: 38.554 CG1 :: 27.718 CG2 :: 17.492 CD1 :: 12.391 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 :: 8.241 HA :: 4.397 HB :: 1.743 HG2 :: 0.748 HG12 :: 1.388 HG13 :: 1.160 HD1 :: 0.741 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 :: 122.807 Ave N Shift Values>> N :: 121.6(4.72) V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.802 CA :: 60.425 CB :: 34.781 CG1 :: 21.550 CG2 :: 21.011 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 :: 7.952 HA :: 4.330 HB :: 1.879 HG1 :: 0.766 HG2 :: 0.751 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 :: 124.319 Ave N Shift Values>> N :: 121.02(4.96) S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> K65 C Shift Assignments>> C :: 173.647 CA :: 57.837 CB :: 63.543 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.326 HA :: 4.409 HB2 :: 3.692 HB3 :: 3.670 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 :: 119.490 Ave N Shift Values>> N :: 116.3(3.95) V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.450 CA :: 62.031 CB :: 32.743 CG1 :: 21.238 CG2 :: 21.268 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 :: 8.409 HA :: 4.001 HB :: 2.040 HG1 :: 1.025 HG2 :: 0.926 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 :: 125.675 Ave N Shift Values>> N :: 121.02(4.96) K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.34 M 0.02 G 0.01 C Shift Assignments>> C :: 176.054 CA :: 55.649 CB :: 32.757 CG :: 25.35 CD :: 28.47 CE :: 42.15 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 :: 7.868 HA :: 4.106 HB2 :: 1.750 HB3 :: 1.750 HG2 :: 1.592 HG3 :: 1.592 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 :: 127.522 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 E 0.22 F 0.19 I 0.09 N 0.06 M 0.03 D 0.03 K 0.01 L 0.01 C Shift Assignments>> C :: 175.771 CA :: 57.035 CB :: 37.648 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 :: 8.386 HA :: 4.792 HB2 :: 3.138 HB3 :: 2.891 HD1 :: 7.17 HD2 :: 7.17 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 :: 120.911 Ave N Shift Values>> N :: 120.69(4.18) S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.603 CA :: 56.794 CB :: 65.090 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.611 HA :: 4.470 HB2 :: 3.587 HB3 :: 3.586 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.717 Ave N Shift Values>> N :: 116.3(3.95) K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.38 M 0.04 G 0.01 C Shift Assignments>> C :: 176.411 CA :: 55.592 CB :: 33.676 CG :: 25.389 CD :: 29.747 CE :: 42.301 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 :: 8.289 HA :: 4.555 HB2 :: 1.727 HB3 :: 1.727 HG2 :: 1.466 HG3 :: 1.370 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 :: 121.462 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.24 L 0.16 F 0.06 K 0.06 Y 0.05 R 0.01 C Shift Assignments>> C :: 175.450 CA :: 52.825 CB :: 40.777 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 :: 8.364 HA :: 4.724 HB2 :: 2.890 HB3 :: 2.401 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 :: 122.592 Ave N Shift Values>> N :: 120.73(4.2) R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 G 0.2 K 0.1 I 0.04 L 0.01 C Shift Assignments>> C :: 178.018 CA :: 59.450 CB :: 30.177 CD :: 43.637 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.374 HA :: 3.621 HB2 :: 1.801 HB3 :: 1.778 HG2 :: 1.638 HG3 :: 1.590 HD2 :: 3.327 HD3 :: 3.286 HE :: 7.412 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 :: 124.371 NE :: 84.965 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 Q 0.12 L 0.12 I 0.12 K 0.11 W 0.1 H 0.08 E 0.07 HN Overlap>> W108 C Shift Assignments>> C :: 176.545 CA :: 58.197 CB :: 27.272 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 :: 8.560 HA :: 4.340 HB2 :: 3.271 HB3 :: 3.243 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 :: 117.644 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 K 0.15 A 0.03 HN Overlap>> E95 C Shift Assignments>> C :: 179.875 CA :: 56.640 CB :: 41.117 CD1 :: 22.880 CD2 :: 25.791 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.670 HA :: 3.991 HB2 :: 1.555 HB3 :: 1.379 HG :: 1.115 HD1 :: 0.726 HD2 :: 0.736 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.119 Ave N Shift Values>> N :: 121.98(4.07) I79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.439 CA :: 65.683 CB :: 37.091 CG1 :: 28.151 CG2 :: 15.686 CD1 :: 15.979 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 :: 7.322 HA :: 2.830 HB :: 1.111 HG2 :: -0.356(S) HG12 :: 1.560 HG13 :: 0.150 HD1 :: 0.420 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 :: 121.528 Ave N Shift Values>> N :: 121.6(4.72) E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 I 0.19 K 0.19 Q 0.14 M 0.03 R 0.01 C Shift Assignments>> C :: 178.747 CA :: 59.526 CB :: 29.160 CG :: 35.376 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.269 HA :: 3.194 HB2 :: 1.773 HB3 :: 1.547 HG2 :: 2.080 HG3 :: 1.927 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.636 Ave N Shift Values>> N :: 120.68(3.68) T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.240 CA :: 65.383 CB :: 68.557 CG2 :: 21.505 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 :: 8.159 HA :: 3.822 HB :: 3.914 HG2 :: 0.975 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 :: 112.230 Ave N Shift Values>> N :: 115.7(5.05) T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.848 CA :: 67.475 CB :: 68.185 CG2 :: 23.378 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 :: 7.818 HA :: 3.660 HB :: 3.877 HG2 :: 1.146 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.034 Ave N Shift Values>> N :: 115.7(5.05) S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.658 CA :: 61.249 CB :: 62.207 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.478 HA :: 4.150 HB2 :: 3.893 HB3 :: 3.814 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 :: 116.587 Ave N Shift Values>> N :: 116.3(3.95) N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 E 0.22 F 0.18 N 0.1 I 0.06 D 0.05 M 0.04 K 0.01 L 0.01 C Shift Assignments>> C :: 178.317 CA :: 56.435 CB :: 37.620 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.868 HA :: 4.408 HB2 :: 2.895 HB3 :: 2.769 HD21 :: 7.613 HD22 :: 7.123 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 :: 118.910 ND2 :: 112.7 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.44 G 0.02 M 0.01 HN Overlap>> K33 K87 C Shift Assignments>> C :: 178.550 CA :: 59.648 CB :: 32.971 CG :: 26.082 CD :: 29.703 CE :: 42.199 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 :: 7.940 HA :: 4.062 HB2 :: 1.947 HB3 :: 1.583 HG2 :: 1.629 HG3 :: 1.605 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 :: 120.592 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.03 G 0.02 C Shift Assignments>> C :: 181.119 CA :: 58.165 CB :: 42.118 CG :: 26.147 CD1 :: 24.557 CD2 :: 23.698 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.961 HA :: 3.977 HB2 :: 1.728 HB3 :: 1.118 HG :: 1.356 HD1 :: 0.651 HD2 :: -0.149 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 :: 122.143 Ave N Shift Values>> N :: 121.98(4.07) K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.33 M 0.02 G 0.01 HN Overlap>> K33 K85 C Shift Assignments>> C :: 178.316 CA :: 59.642 CB :: 32.297 CG :: 25.406 CD :: 29.483 CE :: 42.179 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 :: 7.970 HA :: 4.005 HB2 :: 1.905 HB3 :: 1.905 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 :: 120.509 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.272 CA :: 58.391 CB :: 63.575 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.569 HA :: 4.429 HB2 :: 3.927 HB3 :: 3.922 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 :: 111.427 Ave N Shift Values>> N :: 116.3(3.95) R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 K 0.24 G 0.17 R 0.13 HN Overlap>> T136 C Shift Assignments>> C :: 175.587 CA :: 57.471 CB :: 26.329 CG :: 28.083 CD :: 43.587 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.126 HA :: 3.765 HB2 :: 2.104 HB3 :: 1.983 HG2 :: 1.592 HG3 :: 1.570 HD2 :: 3.238 HD3 :: 3.215 HE :: 7.132 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 :: 116.710 NE :: 84.779 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.25 Q 0.07 K 0.07 I 0.05 C Shift Assignments>> C :: 176.093 CA :: 56.927 CB :: 31.053 CG :: 36.041 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.407 HA :: 4.210 HB2 :: 2.094 HB3 :: 1.774 HG2 :: 2.258 HG3 :: 2.256 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 :: 115.865 Ave N Shift Values>> N :: 120.68(3.68) I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 A 0.12 G 0.11 C Shift Assignments>> C :: 174.635 CA :: 58.470 CB :: 42.202 CG1 :: 23.768 CG2 :: 17.656 CD1 :: 14.808 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 :: 7.009 HA :: 4.730 HB :: 1.983 HG2 :: 0.763 HG12 :: 1.270 HG13 :: 0.614 HD1 :: 0.806 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 :: 109.621 Ave N Shift Values>> N :: 121.6(4.72) T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.566 CA :: 60.149 CB :: 71.401 CG2 :: 21.700 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 :: 8.148 HA :: 4.419 HB :: 4.826 HG2 :: 1.282 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 :: 109.512 Ave N Shift Values>> N :: 115.7(5.05) F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.648 CA :: 63.139 CB :: 39.774 CD1 :: 132.06 CD2 :: 132.06 CE1 :: 131.9 CE2 :: 131.9 CZ :: 129.2 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 :: 9.516 HA :: 3.984 HB2 :: 3.338 HB3 :: 3.138 HD1 :: 7.164 HD2 :: 7.164 HE1 :: 7.672 HE2 :: 7.672 HZ :: 7.268 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 :: 120.684 Ave N Shift Values>> N :: 120.69(4.18) Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.29 R 0.13 E 0.13 I 0.07 M 0.01 P 0.01 C Shift Assignments>> C :: 179.113 CA :: 58.836 CB :: 27.364 CG :: 34.042 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 :: 8.816 HA :: 3.986 HB2 :: 2.189 HB3 :: 1.982 HG2 :: 2.772 HG3 :: 2.611 HE21 :: 7.972 HE22 :: 7.916 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.038 NE2 :: 116.2 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.29 K 0.11 Q 0.04 M 0.03 HN Overlap>> L78 C Shift Assignments>> C :: 178.564 CA :: 59.310 CB :: 29.477 CG :: 36.281 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.622 HA :: 3.922 HB2 :: 2.214 HB3 :: 1.898 HG2 :: 2.234 HG3 :: 2.227 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 :: 121.077 Ave N Shift Values>> N :: 120.68(3.68) Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> E31 C Shift Assignments>> C :: 175.623 CA :: 60.689 CB :: 37.932 CD1 :: 133.8 CD2 :: 133.8 CE1 :: 118.3 CE2 :: 118.3 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.154 HA :: 3.759 HB2 :: 3.321 HB3 :: 2.663 HD1 :: 6.413 HD2 :: 6.413 HE1 :: 5.914 HE2 :: 5.914 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 :: 123.658 Ave N Shift Values>> N :: 120.79(4.69) R97 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 G 0.46 K 0.03 C Shift Assignments>> C :: 177.467 CA :: 59.778 CB :: 30.458 CG :: 28.376 CD :: 44.362 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.450 HA :: 3.466 HB2 :: 1.873 HB3 :: 1.538 HG2 :: 1.289 HG3 :: 1.625 HD2 :: 3.494 HD3 :: 3.371 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 :: 119.818 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) R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.2 K 0.14 C Shift Assignments>> C :: 179.397 CA :: 60.214 CB :: 30.184 CG :: 28.845 CD :: 43.432 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.021 HA :: 3.767 HB2 :: 1.843 HB3 :: 1.817 HG2 :: 1.824 HG3 :: 1.485 HD2 :: 3.194 HD3 :: 3.114 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 :: 116.903 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.23 D 0.18 N 0.14 L 0.07 I 0.04 E 0.03 C Shift Assignments>> C :: 177.123 CA :: 55.969 CB :: 39.157 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 :: 8.188 HA :: 4.286 HB2 :: 2.703 HB3 :: 2.379 HD21 :: 6.886 HD22 :: 7.101 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 :: 119.741 ND2 :: 110.621 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.04 K 0.02 C Shift Assignments>> C :: 179.284 CA :: 58.365 CB :: 39.781 CG :: 28.432 CD1 :: 25.543 CD2 :: 24.862 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 :: 8.197 HA :: 3.602 HB2 :: 1.566 HB3 :: 1.007 HG :: 1.033 HD1 :: 0.085 HD2 :: 0.192 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 :: 119.572 Ave N Shift Values>> N :: 121.98(4.07) A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.36 I 0.04 C Shift Assignments>> C :: 181.638 CA :: 55.223 CB :: 18.191 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.096 HA :: 4.338 HB :: 1.469 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.052 Ave N Shift Values>> N :: 123.23(3.7) K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.36 M 0.03 G 0.01 HN Overlap>> I132 C Shift Assignments>> C :: 176.689 CA :: 58.767 CB :: 32.133 CG :: 25.404 CD :: 29.682 CE :: 42.137 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 :: 7.470 HA :: 3.915 HB2 :: 1.926 HB3 :: 1.925 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 :: 119.474 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 L 0.02 C Shift Assignments>> C :: 175.770 CA :: 52.131 CB :: 20.186 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.444 HA :: 4.184 HB :: 1.425 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.882 Ave N Shift Values>> N :: 123.23(3.7) G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.25 R 0.23 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.853 CA :: 44.323 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.312 HA2 :: 4.570 HA3 :: 4.016 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.028 Ave N Shift Values>> N :: 109.91(4.29) V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> R34 C Shift Assignments>> C :: 172.399 CA :: 63.830 CB :: 31.252 CG1 :: 23.451 CG2 :: 23.768 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 :: 8.025 HA :: 3.653 HB :: 1.952 HG1 :: 1.319 HG2 :: 0.876 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 :: 120.273 Ave N Shift Values>> N :: 121.02(4.96) F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 Y 0.2 G 0.15 C Shift Assignments>> C :: 176.553 CA :: 58.480 CB :: 43.017 CD1 :: 132.09 CD2 :: 132.09 CE1 :: 132.4 CE2 :: 132.4 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 :: 9.475 HA :: 4.820 HB2 :: 3.266 HB3 :: 2.854 HD1 :: 7.384 HD2 :: 7.384 HE1 :: 7.645 HE2 :: 7.645 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 :: 126.630 Ave N Shift Values>> N :: 120.69(4.18) R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 G 0.25 K 0.17 C Shift Assignments>> C :: 173.380 CA :: 54.081 CB :: 32.130 CG :: 27.985 CD :: 43.793 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.337 HA :: 5.208 HB2 :: 1.283 HB3 :: 1.054 HG2 :: 1.702 HG3 :: 1.091 HD2 :: 2.935 HD3 :: 2.442 HE :: 7.335 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 :: 115.171 NE :: 86.088 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) W108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.98 H 0.01 HN Overlap>> H77 C Shift Assignments>> C :: 173.766 CA :: 55.480 CB :: 32.054 CD1 :: 125.938 CE3 :: 119.3 CZ2 :: 113.972 CZ3 :: 121.0 CH2 :: 123.2 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 :: 8.595 HA :: 6.069 HB2 :: 2.974 HB3 :: 2.567 HD1 :: 6.783 HE1 :: 10.829 HE3 :: 7.298 HZ2 :: 6.674 HZ3 :: 6.662 HH2 :: 6.617 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 :: 117.668 NE1 :: 132.849 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 I 0.1 A 0.01 C Shift Assignments>> C :: 175.943 CA :: 59.822 CB :: 36.020 CG1 :: 20.052 CG2 :: 22.159 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 :: 9.309 HA :: 5.130 HB :: 2.155 HG1 :: 0.881 HG2 :: 0.963 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 :: 120.244 Ave N Shift Values>> N :: 121.02(4.96) T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.243 CA :: 60.933 CB :: 69.906 CG2 :: 23.413 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 :: 8.250 HA :: 4.828 HB :: 3.182 HG2 :: 1.059 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 :: 123.297 Ave N Shift Values>> N :: 115.7(5.05) N111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.29 L 0.14 F 0.06 Y 0.05 K 0.04 C Shift Assignments>> C :: 175.342 CA :: 52.506 CB :: 40.627 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.262 HA :: 4.968 HB2 :: 3.104 HB3 :: 2.533 HD21 :: 7.833 HD22 :: 7.018 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 :: 126.475 ND2 :: 114.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.648 CA :: 62.111 CB :: 35.621 CG1 :: 27.550 CG2 :: 17.342 CD1 :: 9.843 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 :: 8.021 HA :: 3.598 HB :: 2.183 HG2 :: 0.840 HG12 :: 1.308 HG13 :: 1.237 HD1 :: 0.718 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 :: 124.886 Ave N Shift Values>> N :: 121.6(4.72) H113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 H 0.42 HN Overlap>> Q26 C Shift Assignments>> C :: 177.164 CA :: 59.151 CB :: 28.157 CD2 :: 120.3 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 :: 8.534 HA :: 4.449 HB2 :: 3.448 HB3 :: 3.451 HD2 :: 7.329 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 :: 120.348 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 M 0.21 K 0.11 Q 0.1 I 0.04 C Shift Assignments>> C :: 175.702 CA :: 56.233 CB :: 30.559 CG :: 35.926 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.402 HA :: 3.907 HB2 :: 1.943 HB3 :: 1.652 HG2 :: 2.210 HG3 :: 2.212 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 :: 115.664 Ave N Shift Values>> N :: 120.68(3.68) Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 Q 0.3 R 0.13 E 0.06 M 0.03 I 0.02 C Shift Assignments>> C :: 176.216 CA :: 56.546 CB :: 26.201 CG :: 34.171 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 :: 7.761 HA :: 3.333 HB2 :: 2.320 HB3 :: 1.867 HG2 :: 2.124 HG3 :: 2.048 HE21 :: 7.697 HE22 :: 6.686 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.582 NE2 :: 112.2 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.91 G 0.05 K 0.02 C Shift Assignments>> C :: 172.888 CA :: 55.059 CB :: 39.381(S) CG :: 25.618 CD :: 29.263 CE :: 42.365 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 :: 7.610 HA :: 4.909 HB2 :: 1.222 HB3 :: 0.903(S) HG2 :: 1.236 HG3 :: 0.905 HD2 :: 1.309 HD3 :: 1.308 HE2 :: 2.730 HE3 :: 2.730 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 :: 118.716 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 R 0.18 K 0.08 C Shift Assignments>> C :: 173.274 CA :: 54.265 CB :: 34.848 CG :: 27.173 CD :: 44.137 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.575 HA :: 5.135 HB2 :: 1.353 HB3 :: 1.113 HG2 :: 1.218 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 :: 122.476 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.91 G 0.08 C Shift Assignments>> C :: 174.940 CA :: 56.537 CB :: 42.467 CD1 :: 134.0 CD2 :: 134.0 CE1 :: 117.9 CE2 :: 117.9 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 :: 9.242 HA :: 4.816 HB2 :: 2.789 HB3 :: 2.639 HD1 :: 7.077 HD2 :: 7.077 HE1 :: 6.595 HE2 :: 6.595 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 :: 123.050 Ave N Shift Values>> N :: 120.79(4.69) Y119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.465 CA :: 57.811 CB :: 40.029 CD1 :: 133.6 CD2 :: 133.6 CE1 :: 118.2 CE2 :: 118.2 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.292 HA :: 5.062 HB2 :: 2.972 HB3 :: 2.900 HD1 :: 7.140 HD2 :: 7.140 HE1 :: 6.423 HE2 :: 6.423 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.911 Ave N Shift Values>> N :: 120.79(4.69) Y120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 Y 0.45 C Shift Assignments>> C :: 177.791 CA :: 57.639 CB :: 44.247 CD1 :: 132.644 CD2 :: 132.644 CE1 :: 118.4 CE2 :: 118.4 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.986 HA :: 5.822 HB2 :: 3.236 HB3 :: 2.833 HD1 :: 6.65 HD2 :: 6.65 HE1 :: 6.53 HE2 :: 6.53 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 :: 121.056 Ave N Shift Values>> N :: 120.79(4.69) T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.830 CA :: 60.935 CB :: 71.593 CG2 :: 23.162 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 :: 8.855 HA :: 5.312 HG2 :: 1.471 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 :: 111.135 Ave N Shift Values>> N :: 115.7(5.05) F122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 Y 0.3 C Shift Assignments>> C :: 174.985 CA :: 60.567 CB :: 38.455 CD1 :: 131.8 CD2 :: 131.8 CE1 :: 131.85 CE2 :: 131.85 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 :: 9.521 HA :: 3.640 HB2 :: 2.862 HB3 :: 2.739 HD1 :: 6.730 HD2 :: 6.730 HE1 :: 7.208 HE2 :: 7.208 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 :: 123.079 Ave N Shift Values>> N :: 120.69(4.18) D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.18 Y 0.07 F 0.05 L 0.02 E 0.01 C Shift Assignments>> C :: 175.543 CA :: 52.377 CB :: 38.515 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.766 HA :: 4.242 HB2 :: 2.802 HB3 :: 2.099 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 :: 116.719 Ave N Shift Values>> N :: 120.73(4.2) N124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 E 0.21 Y 0.18 F 0.1 M 0.07 D 0.05 K 0.02 I 0.02 L 0.01 C Shift Assignments>> C :: 174.399 CA :: 54.903 CB :: 37.137 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.897 HA :: 4.226 HB2 :: 2.978 HB3 :: 2.711 HD21 :: 7.398 HD22 :: 6.592 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 :: 112.857 ND2 :: 112.794 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.090 CA :: 58.790 CB :: 63.090 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.016 HA :: 4.559 HB2 :: 3.937 HB3 :: 3.753 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 :: 115.085 Ave N Shift Values>> N :: 116.3(3.95) L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.14 A 0.05 C Shift Assignments>> C :: 176.879 CA :: 54.990 CB :: 41.559 CG :: 27.306 CD1 :: 23.095 CD2 :: 25.987 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 :: 8.888 HA :: 4.165 HB2 :: 1.308 HB3 :: 1.857 HG :: 1.177 HD1 :: 0.601 HD2 :: 0.829 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 :: 128.393 Ave N Shift Values>> N :: 121.98(4.07) L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.39 R 0.02 C Shift Assignments>> C :: 176.348 CA :: 55.497 CB :: 45.369 CG :: 27.016 CD1 :: 25.865 CD2 :: 23.825 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 :: 9.152 HA :: 4.412 HB2 :: 1.476 HB3 :: 1.260 HG :: 1.647 HD1 :: 0.790 HD2 :: 0.741 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 :: 128.971 Ave N Shift Values>> N :: 121.98(4.07) F128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 Y 0.28 G 0.01 HN Overlap>> N21 C Shift Assignments>> C :: 172.090 CA :: 57.943 CB :: 42.082 CD1 :: 131.4 CD2 :: 131.4 CE1 :: 131.3 CE2 :: 131.3 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 :: 7.352 HA :: 4.732 HB2 :: 3.128 HB3 :: 2.308 HD1 :: 6.970 HD2 :: 6.970 HE1 :: 7.170 HE2 :: 7.170 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 :: 115.380 Ave N Shift Values>> N :: 120.69(4.18) T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.595 CA :: 61.019 CB :: 71.160 CG2 :: 21.671 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 :: 6.921 HA :: 4.947 HB :: 3.486 HG2 :: 0.719 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 :: 121.616 Ave N Shift Values>> N :: 115.7(5.05) E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 E 0.2 Q 0.04 C Shift Assignments>> C :: 174.601 CA :: 53.617 CB :: 33.660 CG :: 35.669 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.928 HA :: 4.421 HB2 :: 1.923 HB3 :: 1.923 HG2 :: 2.067 HG3 :: 2.069 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 :: 121.884 Ave N Shift Values>> N :: 120.68(3.68) S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.063 CA :: 57.612 CB :: 63.789 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.676 HA :: 4.725 HB2 :: 3.820 HB3 :: 3.785 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.177 Ave N Shift Values>> N :: 116.3(3.95) I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> K102 C Shift Assignments>> C :: 175.396 CA :: 61.212 CB :: 37.160 CG1 :: 25.943 CG2 :: 18.280 CD1 :: 12.546 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 :: 7.471 HA :: 4.281 HB :: 1.696 HG2 :: 0.459 HG12 :: 0.759 HG13 :: 0.140 HD1 :: -0.113 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 :: 119.438 Ave N Shift Values>> N :: 121.6(4.72) Q133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.29 E 0.18 M 0.11 R 0.04 I 0.01 C Shift Assignments>> C :: 175.786 CA :: 56.425 CB :: 29.527 CG :: 33.990 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 :: 8.113 HA :: 4.186 HB2 :: 1.955 HB3 :: 1.881 HG2 :: 2.274 HG3 :: 2.272 HE21 :: 7.497 HE22 :: 6.818 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.470 NE2 :: 112.072 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.27 M 0.06 G 0.01 C Shift Assignments>> C :: 176.889 CA :: 56.759 CB :: 32.962 CG :: 24.740 CD :: 29.257 CE :: 42.139 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 :: 8.418 HA :: 4.282 HB2 :: 1.775 HB3 :: 1.740 HG2 :: 1.405 HG3 :: 1.360 HD2 :: 1.623 HD3 :: 1.623 HE2 :: 2.933 HE3 :: 2.933 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 :: 123.084 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.617 CA :: 61.867 CB :: 69.958 CG2 :: 21.608 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 :: 8.220 HA :: 4.366 HB :: 4.178 HG2 :: 1.168 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 :: 116.362 Ave N Shift Values>> N :: 115.7(5.05) T136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> R89 C Shift Assignments>> C :: 174.224 CA :: 61.936 CB :: 69.830 CG2 :: 21.742 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 :: 8.159 HA :: 4.272 HB :: 4.115 HG2 :: 1.116 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 :: 116.630 Ave N Shift Values>> N :: 115.7(5.05) Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.29 E 0.15 M 0.13 R 0.05 HN Overlap>> E31 C Shift Assignments>> C :: 174.982 CA :: 55.660 CB :: 29.626 CG :: 33.798 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 :: 8.298 HA :: 4.200 HB2 :: 1.829 HB3 :: 1.830 HG2 :: 2.117 HG3 :: 2.074 HE21 :: 7.428 HE22 :: 6.846 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 :: 123.624 NE2 :: 112.60 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.600 CA :: 60.543 CB :: 38.745 CG1 :: 27.023 CG2 :: 17.325 CD1 :: 12.680 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 :: 8.074 HA :: 4.042 HB :: 1.646 HG2 :: 0.703 HG12 :: 1.301 HG13 :: 1.024 HD1 :: 0.726 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 :: 122.807 Ave N Shift Values>> N :: 121.6(4.72) F139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 N 0.2 F 0.2 D 0.2 L 0.07 E 0.03 I 0.03 C Shift Assignments>> C :: 173.885 CA :: 55.494 CB :: 39.014 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 :: 8.407 HA :: 4.846 HB2 :: 3.097 HB3 :: 2.812 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 :: 125.834 Ave N Shift Values>> N :: 120.69(4.18) P140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.748 CA :: 63.152 CB :: 32.065 CG :: 27.332 CD :: 50.757 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 :: 4.341 HB2 :: 2.213 HB3 :: 1.814 HG2 :: 1.946 HG3 :: 1.936 HD2 :: 3.751 HD3 :: 3.609 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) R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.16 G 0.11 L 0.01 C Shift Assignments>> C :: 176.288 CA :: 56.175 CB :: 30.528 CG :: 27.204 CD :: 43.373 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.382 HA :: 4.238 HB2 :: 1.767 HB3 :: 1.711 HG2 :: 1.600 HG3 :: 1.540 HD2 :: 3.143 HD3 :: 3.143 HE :: 7.323 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 :: 121.369 NE :: 84.062 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.08 A 0.02 G 0.02 C Shift Assignments>> C :: 177.014 CA :: 54.881 CB :: 42.272 CG :: 26.924 CD1 :: 24.878 CD2 :: 23.439 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 :: 8.243 HA :: 4.260 HB2 :: 1.526 HB3 :: 1.413 HG :: 1.477 HD1 :: 0.820 HD2 :: 0.756 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 :: 123.748 Ave N Shift Values>> N :: 121.98(4.07) E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 M 0.18 Q 0.17 K 0.16 I 0.02 C Shift Assignments>> C :: 176.094 CA :: 55.967 CB :: 30.233 CG :: 35.555 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.268 HA :: 4.157 HB2 :: 1.812 HB3 :: 1.777 HG2 :: 2.156 HG3 :: 2.101 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 :: 121.960 Ave N Shift Values>> N :: 120.68(3.68) H144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.18 K 0.17 W 0.12 R 0.11 E 0.11 L 0.05 M 0.04 I 0.01 C Shift Assignments>> C :: 174.270 CA :: 55.168 CB :: 28.876 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 :: 8.539 HA :: 4.572 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 :: 119.647 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.18 K 0.17 W 0.12 E 0.11 R 0.11 L 0.04 M 0.04 I 0.01 C Shift Assignments>> C :: 174.227 CA :: 55.294 CB :: 28.994 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 :: 8.572 HA :: 4.577 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 :: 119.358 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.18 K 0.17 W 0.12 E 0.11 R 0.11 M 0.04 L 0.04 I 0.01 HN Overlap>> V49 C Shift Assignments>> C :: 174.219 CA :: 55.310 CB :: 29.038 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 :: 8.651 HA :: 4.602 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 :: 119.934 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.18 K 0.16 W 0.12 E 0.11 R 0.11 M 0.04 L 0.03 I 0.01 C Shift Assignments>> C :: 174.126 CA :: 55.316 CB :: 29.131 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 :: 8.674 HA :: 4.603 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 :: 120.621 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.17 K 0.16 W 0.13 E 0.12 R 0.12 M 0.05 L 0.03 I 0.01 C Shift Assignments>> C :: 173.615 CA :: 55.447 CB :: 29.219 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 :: 8.554 HA :: 4.578 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 :: 120.738 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 142 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 143 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 147 #Suspicious: 2 C Shift Results: #Consistent: 679 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 842 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 168 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: V19 HG1 = -0.513(S), Expected = 0.84, Std = 0.2700, ChiSquare = 5.4117e-07 V19 HG2 = -0.698(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.3719e-07 E31 HB3 = 1.213(S), Expected = 2.04, Std = 0.2300, ChiSquare = 3.2358e-04 E31 HG2 = 1.236(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.1493e-07 E31 HG3 = 1.433(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.9643e-05 Y42 HB3 = 1.487(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.2009e-04 V52 HB = 0.782(S), Expected = 1.99, Std = 0.3300, ChiSquare = 2.5162e-04 V52 SRO Rule Break>> HB > HG1 : 0.991770514930637 I79 HG2 = -0.356(S), Expected = 0.80, Std = 0.2900, ChiSquare = 6.7138e-05 R97 SRO Rule Break>> HA > HD2 : 0.991153846153846 K116 CB = 39.381(S), Expected = 32.83, Std = 1.8800, ChiSquare = 4.9292e-04 K116 HB3 = 0.903(S), Expected = 1.78, Std = 0.2600, ChiSquare = 7.4333e-04