Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.05 C Shift Assignments>> C :: 177.482 CA :: 57.513 CB :: 32.023 CG :: 32.171 CE :: 17.185 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.574 HA :: 4.450 HB2 :: 2.651 HB3 :: 2.576 HG2 :: 2.073 HG3 :: 2.186 HE1 :: 2.096 HE2 :: 2.096 HE3 :: 2.096 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.823 Ave N Shift Values>> N :: 120.09(3.57) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 E 0.43 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.275 CA :: 60.597 CB :: 29.468 CG :: 36.441 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.357 HA :: 3.645 HB2 :: 1.914 HB3 :: 1.999 HG2 :: 2.029 HG3 :: 2.145 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.816 Ave N Shift Values>> N :: 120.67(3.48) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 L 0.2 D 0.17 K 0.13 I 0.06 N 0.02 HN Overlap>> 1.K19 1.K19 C Shift Assignments>> C :: 178.997 CA :: 57.328 CB :: 40.668 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.926 HA :: 4.286 HB2 :: 2.775 HB3 :: 2.612 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.342 Ave N Shift Values>> N :: 120.65(3.86) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.18 K 0.14 Q 0.09 M 0.03 HN Overlap>> 1.D102 1.D102 C Shift Assignments>> C :: 178.188 CA :: 59.074 CB :: 29.535 CG :: 35.974 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.920 HA :: 3.980 HB2 :: 2.158 HB3 :: 1.998 HG2 :: 2.235 HG3 :: 2.235 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.000 Ave N Shift Values>> N :: 120.67(3.48) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.139 CA :: 67.809 CB :: 31.137 CG1 :: 23.457 CG2 :: 24.627 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.269 HA :: 3.697 HB :: 2.220 HG11 :: 0.953 HG12 :: 0.953 HG13 :: 0.953 HG21 :: 1.100 HG22 :: 1.100 HG23 :: 1.100 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.138 Ave N Shift Values>> N :: 121.14(4.54) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.935 CA :: 67.118 CB :: 31.677 CG1 :: 23.945 CG2 :: 21.302 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.554 HA :: 3.708 HB :: 2.208 HG11 :: 1.144 HG12 :: 1.144 HG13 :: 1.144 HG21 :: 1.011 HG22 :: 1.011 HG23 :: 1.011 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.899 Ave N Shift Values>> N :: 121.14(4.54) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 G 0.3 K 0.05 C Shift Assignments>> C :: 180.298 CA :: 60.329 CB :: 29.878 CG :: 28.346 CD :: 43.656 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.728 HA :: 3.986 HB2 :: 1.830 HB3 :: 1.920 HG2 :: 1.796 HG3 :: 1.469 HD2 :: 3.187 HD3 :: 3.165 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.503 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.841 CA :: 61.152 CB :: 38.945 CD1 :: 130.814 CE1 :: 131.519 CZ :: 130.642 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.200 HA :: 4.387 HB2 :: 3.475 HB3 :: 3.022 HD1 :: 7.209 HD2 :: 7.209 HE1 :: 7.387 HE2 :: 7.387 HZ :: 7.346 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.439 Ave N Shift Values>> N :: 120.45(4.18) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.17 I 0.1 C Shift Assignments>> C :: 179.190 CA :: 56.235 CB :: 17.702 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.586 HA :: 4.008 HB1 :: 1.640 HB2 :: 1.640 HB3 :: 1.640 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.241 Ave N Shift Values>> N :: 123.23(3.54) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 180.512 CA :: 59.344 CB :: 32.330 CG :: 25.522 CD :: 29.099 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.548 HA :: 4.107 HB2 :: 1.971 HB3 :: 1.885 HG2 :: 1.563 HG3 :: 1.720 HD2 :: 1.673 HD3 :: 1.715 HE2 :: 2.951 HE3 :: 2.951 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.479 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.38 G 0.01 HN Overlap>> 1.D102 1.D102 C Shift Assignments>> C :: 179.996 CA :: 59.995 CB :: 33.142 CG :: 26.033 CD :: 29.911 CE :: 42.179 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.014 HA :: 4.087 HB2 :: 1.905 HB3 :: 2.074 HG2 :: 1.493 HG3 :: 1.726 HD2 :: 1.729 HD3 :: 1.650 HE2 :: 2.940 HE3 :: 2.940 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.888 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.02 I 0.02 HN Overlap>> 1.E100 1.E100 C Shift Assignments>> C :: 177.795 CA :: 59.813 CB :: 33.201 CG :: 34.460 CE :: 18.565 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.475 HA :: 4.196 HB2 :: 2.414 HB3 :: 2.000 HG2 :: 2.376 HG3 :: 2.880 HE1 :: 1.979 HE2 :: 1.979 HE3 :: 1.979 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.021 Ave N Shift Values>> N :: 120.09(3.57) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 D 0.15 L 0.15 I 0.12 N 0.03 K 0.03 C Shift Assignments>> C :: 179.526 CA :: 57.558 CB :: 39.970 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.849 HA :: 4.381 HB2 :: 2.676 HB3 :: 2.838 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.551 Ave N Shift Values>> N :: 120.65(3.86) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> C :: 178.698 CA :: 59.187 CB :: 31.871 CG :: 25.051 CD :: 28.991 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.674 HA :: 4.114 HB2 :: 1.984 HB3 :: 1.984 HG2 :: 1.538 HG3 :: 1.636 HD2 :: 1.721 HD3 :: 1.721 HE2 :: 3.008 HE3 :: 3.008 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.862 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 I 0.01 A 0.01 C Shift Assignments>> C :: 178.834 CA :: 59.852 CB :: 32.592 CG :: 33.600 CE :: 18.634 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.741 HA :: 4.064 HB2 :: 2.403 HB3 :: 1.996 HG2 :: 2.887 HG3 :: 2.781 HE1 :: 1.980 HE2 :: 1.980 HE3 :: 1.980 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.231 Ave N Shift Values>> N :: 120.09(3.57) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 180.064 CA :: 66.091 CB :: 31.775 CG1 :: 23.204 CG2 :: 21.325 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.065 HA :: 3.742 HB :: 2.278 HG11 :: 1.025 HG12 :: 1.025 HG13 :: 1.025 HG21 :: 0.942 HG22 :: 0.942 HG23 :: 0.942 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.683 Ave N Shift Values>> N :: 121.14(4.54) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.37 E 0.09 R 0.08 I 0.04 M 0.02 HN Overlap>> 1.A52 1.A52 C Shift Assignments>> C :: 177.981 CA :: 58.892 CB :: 28.522 CG :: 33.880 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.142 HA :: 4.050 HB2 :: 2.239 HB3 :: 2.217 HG2 :: 2.467 HG3 :: 2.587 HE21 :: 7.519 HE22 :: 6.841 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.074 NE2 :: 111.994 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 175.319 CA :: 55.729 CB :: 32.230 CG :: 25.022 CD :: 28.906 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.916 HA :: 4.288 HB2 :: 1.999 HB3 :: 1.882 HG2 :: 1.582 HG3 :: 1.622 HD2 :: 1.702 HD3 :: 1.702 HE2 :: 3.026 HE3 :: 3.026 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.954 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 K 0.46 G 0.02 L 0.02 HN Overlap>> 1.D3 1.D3 C Shift Assignments>> C :: 175.817 CA :: 57.049 CB :: 29.334 CG :: 25.158 CD :: 28.912 CE :: 42.461 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.916 HA :: 3.945 HB2 :: 2.084 HB3 :: 1.933 HG2 :: 1.403 HG3 :: 1.403 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 3.060 HE3 :: 3.060 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.26 L 0.07 F 0.06 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> C :: 174.853 CA :: 52.605 CB :: 39.356 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.297 HA :: 4.948 HB2 :: 2.823 HB3 :: 2.615 HD21 :: 7.573 HD22 :: 6.957 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.457 ND2 :: 111.087 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C Shift Assignments>> C :: 177.760 CA :: 52.578 CB :: 18.848 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.678 HA :: 4.375 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.683 Ave N Shift Values>> N :: 123.23(3.54) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.47 I 0.02 C Shift Assignments>> C :: 179.037 CA :: 54.664 CB :: 18.142 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.137 HA :: 4.195 HB1 :: 1.468 HB2 :: 1.468 HB3 :: 1.468 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.337 Ave N Shift Values>> N :: 123.23(3.54) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 176.016 CA :: 45.584 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.508 HA2 :: 4.049 HA3 :: 4.084 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.444 Ave N Shift Values>> N :: 109.67(3.87) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.35 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 178.212 CA :: 55.062 CB :: 19.139 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.097 HA :: 3.978 HB1 :: 1.563 HB2 :: 1.563 HB3 :: 1.563 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.790 Ave N Shift Values>> N :: 123.23(3.54) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 177.729 CA :: 59.325 CB :: 41.244 CG :: 26.892 CD1 :: 25.601 CD2 :: 23.632 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.376 HA :: 3.861 HB2 :: 1.532 HB3 :: 1.826 HG :: 1.481 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.561 Ave N Shift Values>> N :: 121.86(3.9) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 L 0.17 D 0.15 I 0.11 K 0.06 N 0.02 C Shift Assignments>> C :: 178.987 CA :: 57.616 CB :: 40.285 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.973 HA :: 4.271 HB2 :: 2.566 HB3 :: 2.673 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.699 Ave N Shift Values>> N :: 120.65(3.86) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 R 0.33 K 0.02 G 0.01 C Shift Assignments>> C :: 178.880 CA :: 57.988 CB :: 42.110 CG :: 27.291 CD1 :: 24.202 CD2 :: 26.941 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.354 HA :: 4.099 HB2 :: 1.914 HB3 :: 1.491 HG :: 1.866 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.984 HD22 :: 0.984 HD23 :: 0.984 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.186 Ave N Shift Values>> N :: 121.86(3.9) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 L 0.29 K 0.1 G 0.01 HN Overlap>> 1.N112 1.N112 C Shift Assignments>> C :: 178.857 CA :: 58.143 CB :: 41.710 CG :: 26.848 CD1 :: 24.155 CD2 :: 28.338 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.336 HA :: 3.833 HB2 :: 2.100 HB3 :: 1.208 HG :: 1.953 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 HD21 :: 0.926 HD22 :: 0.926 HD23 :: 0.926 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.712 Ave N Shift Values>> N :: 121.86(3.9) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 K 0.38 G 0.02 C Shift Assignments>> C :: 179.550 CA :: 60.626 CB :: 32.514 CG :: 26.898 CD :: 29.952 CE :: 42.095 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.206 HA :: 3.766 HB2 :: 1.912 HB3 :: 1.819 HG2 :: 1.654 HG3 :: 1.282 HD2 :: 1.637 HD3 :: 1.637 HE2 :: 2.751 HE3 :: 2.910 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.065 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.22 K 0.1 Q 0.05 M 0.03 C Shift Assignments>> C :: 180.331 CA :: 59.096 CB :: 29.665 CG :: 36.343 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.428 HA :: 4.178 HB2 :: 2.126 HB3 :: 2.126 HG2 :: 2.355 HG3 :: 2.501 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.590 Ave N Shift Values>> N :: 120.67(3.48) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.2 G 0.03 C Shift Assignments>> C :: 178.811 CA :: 57.243 CB :: 42.541 CG :: 27.334 CD1 :: 25.693 CD2 :: 24.990 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.096 HA :: 3.876 HB2 :: 1.858 HB3 :: 1.632 HG :: 1.635 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.869 HD22 :: 0.869 HD23 :: 0.869 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.384 Ave N Shift Values>> N :: 121.86(3.9) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.13 C Shift Assignments>> C :: 176.321 CA :: 58.657 CB :: 32.345 CG :: 24.488 CD :: 29.352 CE :: 41.875 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.727 HA :: 3.960 HB2 :: 1.881 HB3 :: 1.881 HG2 :: 1.499 HG3 :: 1.499 HE2 :: 2.955 HE3 :: 2.955 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.831 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.27 F 0.08 L 0.08 C Shift Assignments>> C :: 175.302 CA :: 53.012 CB :: 39.332 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.347 HA :: 4.825 HB2 :: 2.788 HB3 :: 3.084 HD21 :: 7.661 HD22 :: 6.891 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.136 ND2 :: 113.901 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 174.502 CA :: 58.286 CB :: 38.806 CG1 :: 27.838 CG2 :: 15.977 CD1 :: 12.355 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.419 HA :: 4.474 HB :: 2.119 HG12 :: 1.646 HG13 :: 1.509 HG21 :: 0.791 HG22 :: 0.791 HG23 :: 0.791 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.655 Ave N Shift Values>> N :: 121.46(4.28) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 173.966 CA :: 61.901 CB :: 29.188 CG :: 27.750 CD :: 51.096 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.721 HB2 :: 2.109 HB3 :: 2.109 HG2 :: 2.076 HG3 :: 2.197 HD2 :: 3.709 HD3 :: 4.016 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.M36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.58 A 0.41 C Shift Assignments>> C :: 174.611 CA :: 53.251 CB :: 30.832 CG :: 29.654 CE :: 14.414 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.127 HA :: 4.485 HB2 :: 1.722 HB3 :: 1.766 HG2 :: 0.991(S) HG3 :: 1.724 HE1 :: 1.281 HE2 :: 1.281 HE3 :: 1.281 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 126.413 Ave N Shift Values>> N :: 120.09(3.57) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 A 0.04 C Shift Assignments>> C :: 174.611 CA :: 58.619 CB :: 72.721 CG2 :: 21.734 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.563 HA :: 4.737 HB :: 4.626 HG1 :: 5.655 HG21 :: 1.244 HG22 :: 1.244 HG23 :: 1.244 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.067 Ave N Shift Values>> N :: 115.42(4.75) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 C Shift Assignments>> C :: 177.988 CA :: 58.211 CB :: 41.491 CG :: 27.117 CD1 :: 25.302 CD2 :: 23.877 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.344 HA :: 3.913 HB2 :: 1.541 HB3 :: 1.744 HG :: 1.513 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.908 Ave N Shift Values>> N :: 121.86(3.9) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 E 0.22 K 0.02 C Shift Assignments>> C :: 179.715 CA :: 60.679 CB :: 28.705 CG :: 37.299 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.771 HA :: 4.041 HB2 :: 2.027 HB3 :: 1.912 HG2 :: 2.281 HG3 :: 2.431 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.649 Ave N Shift Values>> N :: 120.67(3.48) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 G 0.21 R 0.18 HN Overlap>> 1.K14 1.K14 C Shift Assignments>> C :: 181.007 CA :: 57.365 CB :: 43.834 CG :: 27.292 CD1 :: 23.763 CD2 :: 25.688 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.741 HA :: 4.244 HB2 :: 1.938 HB3 :: 1.221 HG :: 1.619 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.942 HD22 :: 0.942 HD23 :: 0.942 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.878 Ave N Shift Values>> N :: 121.86(3.9) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 R 0.45 G 0.05 C Shift Assignments>> C :: 180.395 CA :: 58.780 CB :: 42.307 CG :: 26.299 CD1 :: 22.846 CD2 :: 27.152 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.120 HA :: 3.684 HB2 :: 2.060 HB3 :: 1.241 HG :: 1.528 HD11 :: 0.377 HD12 :: 0.377 HD13 :: 0.377 HD21 :: 0.814 HD22 :: 0.814 HD23 :: 0.814 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.730 Ave N Shift Values>> N :: 121.86(3.9) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 E 0.13 R 0.05 I 0.03 M 0.02 C Shift Assignments>> C :: 178.075 CA :: 58.377 CB :: 28.827 CG :: 34.044 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.274 HA :: 3.922 HB2 :: 2.273 HB3 :: 2.006 HG2 :: 2.344 HG3 :: 2.481 HE21 :: 7.515 HE22 :: 6.729 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.528 NE2 :: 110.756 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.088 CA :: 60.748 CB :: 63.275 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.480 HA :: 4.283 HB2 :: 3.902 HB3 :: 3.902 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.080 Ave N Shift Values>> N :: 116.28(3.52) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.092 CA :: 62.982 CB :: 71.844 CG2 :: 21.881 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.793 HA :: 4.353 HB :: 4.017 HG1 :: 4.575 HG21 :: 1.349 HG22 :: 1.349 HG23 :: 1.349 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.177 Ave N Shift Values>> N :: 115.42(4.75) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 L 0.33 G 0.14 K 0.06 C Shift Assignments>> C :: 178.085 CA :: 57.694 CB :: 27.301 CG :: 27.804 CD :: 43.325 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.342 HA :: 4.221 HB2 :: 2.166 HB3 :: 2.099 HG2 :: 1.585 HG3 :: 1.653 HD2 :: 3.246 HD3 :: 3.246 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 112.998 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.S49 1.S49 C Shift Assignments>> C :: 176.064 CA :: 61.705 CB :: 38.329 CG1 :: 29.731 CG2 :: 18.729 CD1 :: 15.151 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.742 HA :: 4.151 HB :: 1.768 HG12 :: 1.352 HG13 :: 1.658 HG21 :: 0.445 HG22 :: 0.445 HG23 :: 0.445 HD11 :: 1.128 HD12 :: 1.128 HD13 :: 1.128 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.105 Ave N Shift Values>> N :: 121.46(4.28) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 P 0.13 A 0.08 L 0.03 N 0.02 C Shift Assignments>> C :: 175.537 CA :: 47.843 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.184 HA2 :: 3.983 HA3 :: 3.709 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.461 Ave N Shift Values>> N :: 109.67(3.87) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 A 0.02 C Shift Assignments>> C :: 179.735 CA :: 58.357 CB :: 32.306 CG :: 32.341 CE :: 17.185 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.142 HA :: 4.312 HB2 :: 2.345 HB3 :: 2.501 HG2 :: 2.213 HG3 :: 2.247 HE1 :: 2.096 HE2 :: 2.096 HE3 :: 2.096 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.503 Ave N Shift Values>> N :: 120.09(3.57) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I46 1.I46 C Shift Assignments>> C :: 176.092 CA :: 63.171 CB :: 63.079 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.698 HA :: 4.419 HB2 :: 4.041 HB3 :: 4.109 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.110 Ave N Shift Values>> N :: 116.28(3.52) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.819 CA :: 66.929 CB :: 31.849 CG1 :: 22.889 CG2 :: 24.864 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.401 HA :: 3.692 HB :: 2.269 HG11 :: 0.906 HG12 :: 0.906 HG13 :: 0.906 HG21 :: 1.230 HG22 :: 1.230 HG23 :: 1.230 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.883 Ave N Shift Values>> N :: 121.14(4.54) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 N 0.25 D 0.19 L 0.09 I 0.06 E 0.04 M 0.02 C Shift Assignments>> C :: 176.917 CA :: 55.942 CB :: 38.735 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.273 HA :: 4.565 HB2 :: 3.155 HB3 :: 3.155 HD21 :: 7.778 HD22 :: 7.222 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.006 ND2 :: 113.498 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.42 I 0.04 V 0.01 HN Overlap>> 1.Q17 1.Q17 C Shift Assignments>> C :: 180.982 CA :: 55.537 CB :: 18.688 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.111 HA :: 4.153 HB1 :: 1.655 HB2 :: 1.655 HB3 :: 1.655 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.044 Ave N Shift Values>> N :: 123.23(3.54) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.463 CA :: 62.233 CB :: 36.004 CG1 :: 28.397 CG2 :: 17.566 CD1 :: 11.436 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.867 HA :: 3.740 HB :: 2.275 HG12 :: 1.521 HG13 :: 1.580 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.820 Ave N Shift Values>> N :: 121.46(4.28) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.18 K 0.06 L 0.01 C Shift Assignments>> C :: 177.622 CA :: 59.857 CB :: 29.509 CG :: 26.964 CD :: 43.510 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.168 HA :: 3.630 HB2 :: 1.769 HB3 :: 2.469 HG2 :: 1.652 HG3 :: 1.652 HD2 :: 3.340 HD3 :: 2.840 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.583 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 177.593 CA :: 58.878 CB :: 32.914 CG :: 25.695 CD :: 29.465 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.821 HA :: 3.991 HB2 :: 1.850 HB3 :: 1.914 HG2 :: 1.437 HG3 :: 1.635 HD2 :: 1.695 HD3 :: 1.658 HE2 :: 2.906 HE3 :: 2.906 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.587 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 M 0.23 E 0.2 K 0.19 C Shift Assignments>> C :: 176.106 CA :: 55.960 CB :: 30.352 CG :: 34.386 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.499 HA :: 4.351 HB2 :: 2.139 HB3 :: 2.067 HG2 :: 2.377 HG3 :: 2.476 HE21 :: 6.885 HE22 :: 7.552 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.611 NE2 :: 111.266 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.543 CA :: 58.695 CB :: 64.307 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.589 HA :: 4.333 HB2 :: 3.773 HB3 :: 3.845 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.080 Ave N Shift Values>> N :: 116.28(3.52) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.784 CA :: 61.000 CB :: 68.905 CG2 :: 21.485 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.444 HA :: 4.516 HB :: 4.622 HG21 :: 1.238 HG22 :: 1.238 HG23 :: 1.238 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.145 Ave N Shift Values>> N :: 115.42(4.75) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.24 D 0.19 G 0.1 K 0.04 F 0.03 N 0.01 C Shift Assignments>> C :: 176.353 CA :: 53.239 CB :: 43.323 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.280 HA :: 4.837 HB2 :: 2.562 HB3 :: 2.776 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.709 Ave N Shift Values>> N :: 120.65(3.86) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.24 K 0.09 Q 0.05 M 0.03 C Shift Assignments>> C :: 178.465 CA :: 59.496 CB :: 29.700 CG :: 36.271 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.169 HA :: 4.070 HB2 :: 2.060 HB3 :: 2.060 HG2 :: 2.353 HG3 :: 2.353 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.993 Ave N Shift Values>> N :: 120.67(3.48) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.4 K 0.05 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.433 CA :: 59.715 CB :: 29.557 CG :: 36.901 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.513 HA :: 4.053 HB2 :: 2.133 HB3 :: 2.062 HG2 :: 2.207 HG3 :: 2.382 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.441 Ave N Shift Values>> N :: 120.67(3.48) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.615 CA :: 66.611 CB :: 32.002 CG1 :: 21.406 CG2 :: 23.964 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.748 HA :: 3.398 HB :: 2.410 HG11 :: 0.763 HG12 :: 0.763 HG13 :: 0.763 HG21 :: 1.067 HG22 :: 1.067 HG23 :: 1.067 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.419 Ave N Shift Values>> N :: 121.14(4.54) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.755 CA :: 67.430 CB :: 68.345 CG2 :: 22.774 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.568 HA :: 3.611 HB :: 4.155 HG21 :: 1.301 HG22 :: 1.301 HG23 :: 1.301 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.101 Ave N Shift Values>> N :: 115.42(4.75) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.378 CA :: 61.951 CB :: 62.853 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.289 HA :: 4.087 HB2 :: 3.984 HB3 :: 3.922 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.184 Ave N Shift Values>> N :: 116.28(3.52) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.18 K 0.01 C Shift Assignments>> C :: 178.898 CA :: 57.785 CB :: 41.525 CG :: 27.822 CD1 :: 26.376 CD2 :: 24.121 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.769 HA :: 4.183 HB2 :: 1.738 HB3 :: 1.605 HG :: 1.536 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.884 HD22 :: 0.884 HD23 :: 0.884 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.302 Ave N Shift Values>> N :: 121.86(3.9) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.25 I 0.06 C Shift Assignments>> C :: 178.866 CA :: 55.761 CB :: 17.812 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.675 HA :: 3.731 HB1 :: 1.368 HB2 :: 1.368 HB3 :: 1.368 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.046 Ave N Shift Values>> N :: 123.23(3.54) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.N20 1.N20 C Shift Assignments>> C :: 178.958 CA :: 60.331 CB :: 32.599 CG :: 25.897 CD :: 29.728 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.319 HA :: 3.727 HB2 :: 1.857 HB3 :: 1.857 HG2 :: 1.602 HG3 :: 1.377 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 2.892 HE3 :: 2.892 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.363 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.131 CA :: 61.616 CB :: 62.758 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.877 HA :: 4.084 HB2 :: 3.957 HB3 :: 3.957 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.477 Ave N Shift Values>> N :: 116.28(3.52) 1.L69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.95 R 0.01 A 0.01 C Shift Assignments>> C :: 177.329 CA :: 57.514 CB :: 40.802 CG :: 26.408 CD1 :: 26.604 CD2 :: 22.674 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.955 HA :: 3.445 HB2 :: -0.148(S) HB3 :: 1.319 HG :: 1.257 HD11 :: 0.664 HD12 :: 0.664 HD13 :: 0.664 HD21 :: 0.554 HD22 :: 0.554 HD23 :: 0.554 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.062 Ave N Shift Values>> N :: 121.86(3.9) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.251 CA :: 64.971 CB :: 37.056 CG1 :: 28.794 CG2 :: 17.062 CD1 :: 12.514 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.635 HA :: 3.363 HB :: 1.759 HG12 :: 1.620 HG13 :: 1.301 HG21 :: 0.590 HG22 :: 0.590 HG23 :: 0.590 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.152 Ave N Shift Values>> N :: 121.46(4.28) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 179.370 CA :: 59.984 CB :: 32.285 CG :: 25.116 CD :: 29.439 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.932 HA :: 3.760 HB2 :: 1.807 HB3 :: 1.807 HG2 :: 1.475 HG3 :: 1.333 HD2 :: 1.631 HD3 :: 1.631 HE2 :: 2.929 HE3 :: 2.929 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.190 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.657 CA :: 61.745 CB :: 62.954 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.679 HA :: 4.198 HB2 :: 3.951 HB3 :: 3.951 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.076 Ave N Shift Values>> N :: 116.28(3.52) 1.W73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 179.043 CA :: 57.234 CB :: 29.154 CD1 :: 124.083 CE3 :: 119.684 CZ2 :: 114.685 CZ3 :: 120.269 CH2 :: 123.506 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.876 HA :: 4.814 HB2 :: 3.541 HB3 :: 3.443 HD1 :: 7.081 HE1 :: 10.521 HE3 :: 7.385 HZ2 :: 7.277 HZ3 :: 6.768 HH2 :: 6.928 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.238 NE1 :: 128.574 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.71 K 0.26 G 0.02 C Shift Assignments>> C :: 179.519 CA :: 60.329 CB :: 32.390 CG :: 27.682 CD :: 29.649 CE :: 41.926 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.792 HA :: 3.941 HB2 :: 1.739 HB3 :: 1.739 HG2 :: 1.098 HG3 :: 0.733 HD2 :: 1.337 HD3 :: 1.337 HE2 :: 2.326 HE3 :: 2.227(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.611 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.21 G 0.01 HN Overlap>> 1.L77 1.L77 C Shift Assignments>> C :: 178.575 CA :: 58.526 CB :: 32.034 CG :: 25.185 CD :: 29.219 CE :: 42.160 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.416 HA :: 4.200 HB2 :: 2.025 HB3 :: 2.025 HG2 :: 1.799 HG3 :: 1.583 HD2 :: 1.799 HD3 :: 1.799 HE2 :: 3.044 HE3 :: 3.044 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.835 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 A 0.07 R 0.04 C Shift Assignments>> C :: 178.108 CA :: 56.178 CB :: 41.329 CG :: 27.074 CD1 :: 22.393 CD2 :: 25.504 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.798 HA :: 4.223 HB2 :: 2.136 HB3 :: 1.396 HG :: 1.947 HD11 :: 0.981 HD12 :: 0.981 HD13 :: 0.981 HD21 :: 0.755 HD22 :: 0.755 HD23 :: 0.755 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.328 Ave N Shift Values>> N :: 121.86(3.9) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.17 HN Overlap>> 1.K75 1.K75 C Shift Assignments>> C :: 177.222 CA :: 56.377 CB :: 41.566 CG :: 28.450 CD1 :: 25.534 CD2 :: 24.698 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.381 HA :: 4.244 HB2 :: 1.840 HB3 :: 1.840 HG :: 1.818 HD11 :: 1.087 HD12 :: 1.087 HD13 :: 1.087 HD21 :: 0.989 HD22 :: 0.989 HD23 :: 0.989 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.763 Ave N Shift Values>> N :: 121.86(3.9) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.27 K 0.17 F 0.12 N 0.07 R 0.02 C Shift Assignments>> C :: 177.149 CA :: 54.960 CB :: 41.356 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.903 HA :: 4.620 HB2 :: 2.747 HB3 :: 2.777 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.632 Ave N Shift Values>> N :: 120.65(3.86) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 175.152 CA :: 45.738 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.301 HA2 :: 4.053 HA3 :: 3.988 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.139 Ave N Shift Values>> N :: 109.67(3.87) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.670 CA :: 45.493 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.346 HA2 :: 4.068 HA3 :: 4.068 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.800 Ave N Shift Values>> N :: 109.67(3.87) 1.S81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S90 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.308 CA :: 45.471 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.986 HA3 :: 3.986 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.14 K 0.09 Q 0.08 I 0.04 C Shift Assignments>> C :: 176.933 CA :: 56.795 CB :: 30.246 CG :: 36.293 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.291 HA :: 4.297 HB2 :: 2.073 HB3 :: 1.948 HG2 :: 2.276 HG3 :: 2.276 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.736 Ave N Shift Values>> N :: 120.67(3.48) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.05 A 0.02 G 0.01 C Shift Assignments>> C :: 177.733 CA :: 55.556 CB :: 42.050 CG :: 26.999 CD1 :: 25.029 CD2 :: 23.532 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.359 HA :: 4.373 HB2 :: 1.671 HB3 :: 1.669 HG :: 1.668 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.781 Ave N Shift Values>> N :: 121.86(3.9) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.651 CA :: 58.831 CB :: 63.832 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.239 HA :: 4.392 HB2 :: 3.855 HB3 :: 3.917 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.022 Ave N Shift Values>> N :: 116.28(3.52) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.25 F 0.13 K 0.12 N 0.1 R 0.01 C Shift Assignments>> C :: 176.770 CA :: 54.777 CB :: 41.053 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.319 HA :: 4.625 HB2 :: 2.751 HB3 :: 2.692 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.413 Ave N Shift Values>> N :: 120.65(3.86) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 C Shift Assignments>> C :: 177.372 CA :: 57.060 CB :: 32.447 CG :: 24.716 CD :: 28.998 CE :: 41.988 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.208 HA :: 4.316 HB2 :: 1.812 HB3 :: 1.897 HG2 :: 1.449 HG3 :: 1.499 HD2 :: 1.701 HD3 :: 1.701 HE2 :: 2.963 HE3 :: 2.963 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.787 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 177.678 CA :: 57.483 CB :: 32.358 CG :: 24.777 CD :: 28.171 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.296 HA :: 4.229 HB2 :: 1.845 HB3 :: 1.845 HG2 :: 1.499 HG3 :: 1.441 HE2 :: 2.996 HE3 :: 2.996 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.129 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.21 F 0.17 L 0.07 E 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 176.050 CA :: 54.525 CB :: 38.646 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.405 HA :: 4.639 HB2 :: 2.798 HB3 :: 2.855 HD21 :: 7.753 HD22 :: 6.967 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.476 ND2 :: 113.400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 I 0.15 M 0.08 K 0.06 Q 0.03 C Shift Assignments>> C :: 177.845 CA :: 58.397 CB :: 30.189 CG :: 36.698 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.421 HA :: 4.253 HB2 :: 2.069 HB3 :: 2.145 HG2 :: 2.287 HG3 :: 2.342 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.620 Ave N Shift Values>> N :: 120.67(3.48) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.42 K 0.03 M 0.02 HN Overlap>> 1.M12 1.M12 C Shift Assignments>> C :: 178.280 CA :: 59.906 CB :: 29.920 CG :: 37.120 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.507 HA :: 4.035 HB2 :: 2.172 HB3 :: 2.172 HG2 :: 2.343 HG3 :: 2.259 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.075 Ave N Shift Values>> N :: 120.67(3.48) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 178.733 CA :: 58.667 CB :: 32.140 CG :: 25.019 CD :: 29.277 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.172 HA :: 4.102 HB2 :: 1.851 HB3 :: 1.851 HG2 :: 1.427 HG3 :: 1.427 HD2 :: 1.788 HD3 :: 1.811 HE2 :: 3.050 HE3 :: 3.050 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.594 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 F 0.24 D 0.23 K 0.18 N 0.04 I 0.02 R 0.01 HN Overlap>> 1.K11 1.K11 1.E4 1.E4 C Shift Assignments>> C :: 176.783 CA :: 56.368 CB :: 41.014 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.977 HA :: 4.465 HB2 :: 2.746 HB3 :: 2.671 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.970 Ave N Shift Values>> N :: 120.65(3.86) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.17 G 0.1 A 0.01 C Shift Assignments>> C :: 177.406 CA :: 56.027 CB :: 43.392 CG :: 27.055 CD1 :: 25.838 CD2 :: 23.511 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.763 HA :: 4.120 HB2 :: 1.492 HB3 :: 0.726 HG :: 1.665 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 HD21 :: 0.689 HD22 :: 0.689 HD23 :: 0.689 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.370 Ave N Shift Values>> N :: 121.86(3.9) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.963 CA :: 58.257 CB :: 40.919 CD1 :: 132.667 CE1 :: 130.799 CZ :: 129.302 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.271 HA :: 4.455 HB2 :: 2.982 HB3 :: 3.172 HD1 :: 7.464 HD2 :: 7.464 HE1 :: 7.404 HE2 :: 7.404 HZ :: 7.141 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 112.717 Ave N Shift Values>> N :: 120.45(4.18) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.17 R 0.05 F 0.02 D 0.01 C Shift Assignments>> C :: 173.440 CA :: 44.858 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.950 HA2 :: 4.428 HA3 :: 3.942 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.721 Ave N Shift Values>> N :: 109.67(3.87) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.397 CB :: 64.101 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.367 HA :: 4.368 HB2 :: 3.978 HB3 :: 3.956 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.143 Ave N Shift Values>> N :: 116.28(3.52) 1.D107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.065 CA :: 58.735 CB :: 64.022 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.441 HB2 :: 3.878 HB3 :: 3.878 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.950 CA :: 45.439 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.458 HA2 :: 3.988 HA3 :: 3.988 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.916 Ave N Shift Values>> N :: 109.67(3.87) 1.N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.24 F 0.09 L 0.07 HN Overlap>> 1.L28 1.L28 C Shift Assignments>> C :: 175.410 CA :: 53.218 CB :: 39.049 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.315 HA :: 4.745 HB2 :: 2.830 HB3 :: 2.724 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.734 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 K 0.11 M 0.09 Q 0.07 I 0.07 C Shift Assignments>> C :: 176.570 CA :: 57.091 CB :: 29.962 CG :: 36.385 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.588 HA :: 4.258 HB2 :: 2.067 HB3 :: 1.932 HG2 :: 2.278 HG3 :: 2.278 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.404 Ave N Shift Values>> N :: 120.67(3.48) 1.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.15 K 0.08 Q 0.07 I 0.04 C Shift Assignments>> C :: 176.366 CA :: 56.557 CB :: 30.271 CG :: 36.352 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.387 HA :: 4.271 HB2 :: 2.057 HB3 :: 1.920 HG2 :: 2.276 HG3 :: 2.276 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.033 Ave N Shift Values>> N :: 120.67(3.48) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.17 Q 0.07 K 0.07 I 0.03 C Shift Assignments>> C :: 175.396 CA :: 56.561 CB :: 30.435 CG :: 36.335 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.313 HA :: 4.299 HB2 :: 1.906 HB3 :: 2.063 HG2 :: 2.274 HG3 :: 2.274 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.969 Ave N Shift Values>> N :: 120.67(3.48) 1.N116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 F 0.15 N 0.15 K 0.07 C Shift Assignments>> C :: 179.599 CA :: 54.791 CB :: 40.641 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.030 HA :: 4.479 HB2 :: 2.666 HB3 :: 2.765 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.277 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 113 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 103 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 13 Shift Relative Order (SRO) Results: #Consistent: 116 #Suspicious: 0 C Shift Results: #Consistent: 447 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 746 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 108 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M36 HG2 = 0.991(S), Expected = 2.42, Std = 0.3500, ChiSquare = 4.4485e-05 1.L69 HB2 = -0.148(S), Expected = 1.61, Std = 0.3400, ChiSquare = 2.3336e-07 1.K74 HE3 = 2.227(S), Expected = 2.91, Std = 0.2000, ChiSquare = 6.3782e-04