Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.T1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 171.656 CA :: 61.627 CB :: 69.529 CG2 :: 21.348 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>> HA :: 3.965 HB :: 3.969 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 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) 1.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.354 CA :: 64.940 CB :: 31.631 CG1 :: 21.422 CG2 :: 23.286 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 :: 9.634 HA :: 3.816 HB :: 2.138 HG11 :: 0.845 HG12 :: 0.845 HG13 :: 0.845 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 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 :: 130.073 Ave N Shift Values>> N :: 121.02(4.96) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.994 CA :: 62.697 CB :: 33.107 CG1 :: 20.825 CG2 :: 20.139 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 :: 9.392 HA :: 4.250 HB :: 1.897 HG11 :: 0.796 HG12 :: 0.796 HG13 :: 0.796 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 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 :: 126.042 Ave N Shift Values>> N :: 121.02(4.96) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.745 CA :: 58.375 CB :: 64.928 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.836 HA :: 4.614 HB2 :: 3.689 HB3 :: 3.778 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.665 Ave N Shift Values>> N :: 116.3(3.95) 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 :: 174.863 CA :: 61.412 CB :: 34.772 CG1 :: 21.796 CG2 :: 20.801 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 :: 8.111 HA :: 4.696 HB :: 1.990 HG11 :: 0.950 HG12 :: 0.950 HG13 :: 0.950 HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.357 Ave N Shift Values>> N :: 121.02(4.96) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.21 R 0.08 D 0.03 F 0.01 C Shift Assignments>> C :: 173.795 CA :: 53.425 CB :: 44.868 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 :: 8.972 HA :: 5.055 HB2 :: 2.417 HB3 :: 2.509 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 :: 125.172 Ave N Shift Values>> N :: 120.73(4.2) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.29 M 0.04 C Shift Assignments>> C :: 174.094 CA :: 55.840 CB :: 34.836 CG :: 25.179 CD :: 29.555 CE :: 41.640 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 :: 8.800 HA :: 4.944 HB2 :: 1.820 HB3 :: 2.001 HG2 :: 1.419 HG3 :: 1.347 HD2 :: 1.723 HD3 :: 1.723 HE2 :: 2.843 HE3 :: 2.896 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 :: 125.044 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.26 N 0.1 K 0.1 R 0.08 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> C :: 176.379 CA :: 52.331 CB :: 42.129 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 :: 8.917 HA :: 4.990 HB2 :: 2.380 HB3 :: 3.125 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 :: 126.671 Ave N Shift Values>> N :: 120.73(4.2) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I16 1.I16 C Shift Assignments>> C :: 178.087 CA :: 65.601 CB :: 31.605 CG1 :: 21.202 CG2 :: 21.340 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 :: 8.782 HA :: 3.812 HB :: 2.170 HG11 :: 1.014 HG12 :: 1.014 HG13 :: 1.014 HG21 :: 1.070 HG22 :: 1.070 HG23 :: 1.070 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 :: 123.514 Ave N Shift Values>> N :: 121.02(4.96) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.35 K 0.09 M 0.02 Q 0.02 C Shift Assignments>> C :: 177.617 CA :: 59.060 CB :: 29.155 CG :: 36.708 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 :: 8.244 HA :: 4.136 HB2 :: 2.156 HB3 :: 2.117 HG2 :: 2.308 HG3 :: 2.364 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 :: 120.677 Ave N Shift Values>> N :: 120.68(3.68) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C Shift Assignments>> C :: 176.293 CA :: 51.206 CB :: 19.038 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.546 HA :: 4.319 HB1 :: 1.303 HB2 :: 1.303 HB3 :: 1.303 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.800 Ave N Shift Values>> N :: 123.23(3.7) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 A 0.02 C Shift Assignments>> C :: 174.692 CA :: 55.199 CB :: 39.719 CG :: 26.007 CD1 :: 25.988 CD2 :: 23.710 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 :: 7.918 HA :: 4.170 HB2 :: 1.554 HB3 :: 2.336 HG :: 1.592 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 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 :: 117.420 Ave N Shift Values>> N :: 121.98(4.07) 1.S13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.85 S 0.14 C Shift Assignments>> C :: 172.919 CA :: 56.436 CB :: 68.162 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.394 HA :: 6.043(S) HB2 :: 3.601 HB3 :: 3.671 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 :: 109.912 Ave N Shift Values>> N :: 116.3(3.95) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.82 G 0.17 C Shift Assignments>> C :: 174.051 CA :: 56.508 CB :: 43.318 CD1 :: 131.278 CD2 :: 131.278 CE1 :: 131.275 CE2 :: 131.275 CZ :: 129.643 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 :: 9.212 HA :: 5.422 HB2 :: 3.169 HB3 :: 3.267 HD1 :: 7.225 HD2 :: 7.225 HE1 :: 7.330 HE2 :: 7.330 HZ :: 7.267 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 :: 123.192 Ave N Shift Values>> N :: 120.69(4.18) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.T108 1.T108 C Shift Assignments>> C :: 172.556 CA :: 56.422 CB :: 65.754 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.924 HA :: 5.676 HB2 :: 3.549 HB3 :: 3.584 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 :: 121.521 Ave N Shift Values>> N :: 116.3(3.95) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 G 0.01 HN Overlap>> 1.V9 1.V9 C Shift Assignments>> C :: 173.517 CA :: 60.187 CB :: 41.620 CG1 :: 28.169 CG2 :: 17.672 CD1 :: 14.595 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 :: 8.814 HA :: 4.868 HB :: 1.618 HG12 :: 1.046 HG13 :: 1.600 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 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 :: 123.512 Ave N Shift Values>> N :: 121.6(4.72) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.585 CA :: 60.831 CB :: 33.269 CG1 :: 20.870 CG2 :: 20.803 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 :: 8.741 HA :: 4.926 HB :: 1.949 HG11 :: 0.795 HG12 :: 0.795 HG13 :: 0.795 HG21 :: 0.905 HG22 :: 0.905 HG23 :: 0.905 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 :: 127.043 Ave N Shift Values>> N :: 121.02(4.96) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.7 L 0.17 K 0.04 R 0.02 M 0.01 C Shift Assignments>> C :: 174.411 CA :: 49.852 CB :: 24.799 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.554 HA :: 5.224 HB1 :: 0.979 HB2 :: 0.979 HB3 :: 0.979 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.603 Ave N Shift Values>> N :: 123.23(3.7) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 E 0.34 C Shift Assignments>> C :: 175.119 CA :: 53.928 CB :: 33.941 CG :: 36.990 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 :: 8.352 HA :: 5.200 HB2 :: 1.534 HB3 :: 1.669 HG2 :: 1.982 HG3 :: 2.059 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 :: 117.710 Ave N Shift Values>> N :: 120.68(3.68) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 G 0.43 C Shift Assignments>> C :: 175.546 CA :: 55.674 CB :: 44.007 CD1 :: 132.256 CD2 :: 132.256 CE1 :: 130.202 CE2 :: 130.202 CZ :: 129.633 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 :: 8.991 HA :: 5.134 HB2 :: 2.322 HB3 :: 3.094 HD1 :: 7.049 HD2 :: 7.049 HE1 :: 7.192 HE2 :: 7.192 HZ :: 6.764 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 :: 118.224 Ave N Shift Values>> N :: 120.69(4.18) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.24 Y 0.09 F 0.07 L 0.04 E 0.01 HN Overlap>> 1.S127 1.S127 C Shift Assignments>> C :: 174.649 CA :: 53.126 CB :: 38.943 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 :: 9.268 HA :: 4.915 HB2 :: 2.541 HB3 :: 2.854 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 :: 125.849 Ave N Shift Values>> N :: 120.73(4.2) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 A 0.25 M 0.12 K 0.07 C Shift Assignments>> C :: 175.162 CA :: 51.305 CB :: 22.972 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.043 HA :: 4.537 HB1 :: 1.262 HB2 :: 1.262 HB3 :: 1.262 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.974 Ave N Shift Values>> N :: 123.23(3.7) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.27 R 0.13 K 0.11 N 0.05 F 0.04 Y 0.03 G 0.02 HN Overlap>> 1.H167 1.H167 C Shift Assignments>> C :: 176.251 CA :: 53.140 CB :: 42.440 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 :: 8.218 HA :: 4.548 HB2 :: 2.659 HB3 :: 3.043 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.324 Ave N Shift Values>> N :: 120.73(4.2) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A156 1.M147 1.A156 1.M147 C Shift Assignments>> C :: 177.297 CA :: 66.564 CB :: 32.030 CG1 :: 21.269 CG2 :: 22.553 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 :: 8.038 HA :: 3.802 HB :: 2.039 HG11 :: 0.992 HG12 :: 0.992 HG13 :: 0.992 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 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 :: 119.745 Ave N Shift Values>> N :: 121.02(4.96) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.34 M 0.01 C Shift Assignments>> C :: 179.624 CA :: 60.015 CB :: 31.614 CG :: 26.006 CD :: 29.005 CE :: 41.648 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 :: 8.058 HA :: 4.032 HB2 :: 1.857 HB3 :: 1.925 HG2 :: 1.361 HG3 :: 1.591 HD2 :: 1.712 HD3 :: 1.712 HE2 :: 2.989 HE3 :: 2.989 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 :: 117.968 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.17 G 0.07 L 0.05 C Shift Assignments>> C :: 178.407 CA :: 57.948 CB :: 29.303 CG :: 27.888 CD :: 42.977 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.812 HA :: 4.259 HB2 :: 1.940 HB3 :: 1.986 HG2 :: 1.615 HG3 :: 1.779 HD2 :: 3.220 HD3 :: 3.370 HE :: 7.519 HH11 :: 6.455 HH12 :: 7.219 HH21 :: 6.455 HH22 :: 7.219 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 :: 120.298 NE :: 84.730 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.233 CA :: 65.761 CB :: 30.918 CG1 :: 23.492 CG2 :: 23.572 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 :: 7.917 HA :: 3.535 HB :: 2.205 HG11 :: 0.934 HG12 :: 0.934 HG13 :: 0.934 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 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 :: 119.314 Ave N Shift Values>> N :: 121.02(4.96) 1.W28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.97 H 0.02 C Shift Assignments>> C :: 177.660 CA :: 60.560 CB :: 29.296 CD1 :: 127.475 CE3 :: 121.400 CZ2 :: 113.192 CZ3 :: 120.897 CH2 :: 123.105 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.052 HA :: 4.345 HB2 :: 3.792 HB3 :: 3.327 HD1 :: 7.188 HE1 :: 10.089 HE3 :: 7.379 HZ2 :: 7.407 HZ3 :: 6.466 HH2 :: 6.916 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 :: 122.113 NE1 :: 128.680 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.44 I 0.02 V 0.01 C Shift Assignments>> C :: 178.001 CA :: 54.940 CB :: 18.856 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.243 HA :: 4.154 HB1 :: 1.567 HB2 :: 1.567 HB3 :: 1.567 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.341 Ave N Shift Values>> N :: 123.23(3.7) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 V 0.01 C Shift Assignments>> C :: 174.564 CA :: 62.483 CB :: 35.586 CG1 :: 24.919 CG2 :: 17.223 CD1 :: 14.341 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 :: 7.327 HA :: 4.055 HB :: 1.851 HG12 :: 1.665 HG13 :: 0.606 HG21 :: 0.667 HG22 :: 0.667 HG23 :: 0.667 HD11 :: -0.258 HD12 :: -0.258 HD13 :: -0.258 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 :: 108.729 Ave N Shift Values>> N :: 121.6(4.72) 1.W31 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 :: 175.525 CA :: 57.548 CB :: 30.099 CD1 :: 126.622 CE3 :: 119.798 CZ2 :: 114.585 CZ3 :: 123.055 CH2 :: 123.879 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 :: 7.377 HA :: 4.401 HB2 :: 2.564 HB3 :: 2.699 HD1 :: 7.104 HE1 :: 8.506 HE3 :: 7.450 HZ2 :: 7.526 HZ3 :: 7.054 HH2 :: 7.442 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 :: 117.437 NE1 :: 122.332 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.58 M 0.14 I 0.11 K 0.09 Q 0.05 C Shift Assignments>> C :: 174.628 CA :: 57.478 CB :: 30.412 CG :: 36.379 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 :: 6.897 HA :: 2.077(S) HB2 :: 1.148(S) HB3 :: 1.420 HG2 :: 1.787 HG3 :: 1.855 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 :: 115.864 Ave N Shift Values>> N :: 120.68(3.68) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.34 L 0.11 G 0.04 F 0.03 K 0.02 Y 0.02 R 0.01 C Shift Assignments>> C :: 175.930 CA :: 49.283 CB :: 41.138 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 :: 7.548 HA :: 4.780 HB2 :: 2.502 HB3 :: 3.078 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 :: 116.043 Ave N Shift Values>> N :: 120.73(4.2) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.080 CA :: 63.813 CB :: 30.301 CG :: 26.566 CD :: 50.407 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 :: 3.294 HB2 :: 0.974 HB3 :: 1.597 HG2 :: 1.813 HG3 :: 1.913 HD2 :: 3.447 HD3 :: 4.037 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) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 G 0.21 K 0.18 HN Overlap>> 1.D69 1.D69 C Shift Assignments>> C :: 179.710 CA :: 56.984 CB :: 31.483 CG :: 25.759 CD :: 43.830 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.802 HA :: 4.204 HB2 :: 1.823 HB3 :: 2.049 HG2 :: 1.614 HG3 :: 1.695 HD2 :: 3.106 HD3 :: 3.405 HE :: 8.233 HH11 :: 6.842 HH12 :: 6.747 HH21 :: 6.842 HH22 :: 6.747 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 :: 114.562 NE :: 85.530 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 Q 0.28 K 0.21 M 0.14 I 0.03 R 0.01 C Shift Assignments>> C :: 177.489 CA :: 58.086 CB :: 30.114 CG :: 34.466 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 :: 7.054 HA :: 4.119 HB2 :: 2.144 HB3 :: 1.940 HG2 :: 1.961 HG3 :: 2.201 HE21 :: 7.704 HE22 :: 6.492 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 :: 116.981 NE2 :: 111.656 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.72 R 0.19 A 0.03 G 0.03 C Shift Assignments>> C :: 178.877 CA :: 56.980 CB :: 42.241 CG :: 26.412 CD1 :: 22.387 CD2 :: 26.292 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 :: 7.721 HA :: 3.957 HB2 :: 0.629 HB3 :: 1.044 HG :: 0.089(S) HD11 :: 0.149 HD12 :: 0.149 HD13 :: 0.149 HD21 :: -0.328(S) HD22 :: -0.328(S) HD23 :: -0.328(S) 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 :: 122.961 Ave N Shift Values>> N :: 121.98(4.07) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 K 0.25 Q 0.2 I 0.07 M 0.04 R 0.01 C Shift Assignments>> C :: 176.251 CA :: 57.305 CB :: 29.024 CG :: 35.430 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 :: 7.542 HA :: 3.723 HB2 :: 2.060 HB3 :: 2.176 HG2 :: 2.397 HG3 :: 2.397 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 :: 112.958 Ave N Shift Values>> N :: 120.68(3.68) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.24 K 0.07 C Shift Assignments>> C :: 176.614 CA :: 57.394 CB :: 30.906 CG :: 27.109 CD :: 43.986 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.335 HA :: 4.214 HB2 :: 2.052 HB3 :: 2.052 HG2 :: 1.739 HG3 :: 2.100 HD2 :: 3.210 HD3 :: 3.333 HE :: 7.423 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 :: 115.983 NE :: 84.255 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.W40 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.97 H 0.02 C Shift Assignments>> C :: 173.859 CA :: 55.308 CB :: 31.595 CD1 :: 125.521 CE3 :: 121.418 CZ2 :: 113.505 CZ3 :: 120.708 CH2 :: 124.416 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 :: 7.366 HA :: 5.159 HB2 :: 3.555 HB3 :: 2.321 HD1 :: 7.056 HE1 :: 8.913 HE3 :: 7.180 HZ2 :: 5.019 HZ3 :: 6.744 HH2 :: 6.921 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 :: 113.940 NE1 :: 128.672 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (HZ2 > HA : 0.9986) 1.W41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.97 H 0.02 C Shift Assignments>> CA :: 60.256 CB :: 30.368 CD1 :: 125.106 CE3 :: 121.175 CZ2 :: 112.115 CZ3 :: 122.297 CH2 :: 125.244 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 :: 7.222 HA :: 3.125 HB2 :: 2.002(S) HB3 :: 2.139 HD1 :: 5.941(S) HE3 :: 7.212 HZ2 :: 4.128(S) HZ3 :: 6.395 HH2 :: 6.392 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.766 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.32 K 0.21 R 0.15 D 0.11 F 0.08 Y 0.05 I 0.02 N 0.01 G 0.01 C Shift Assignments>> CA :: 42.258 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.680 HA2 :: 4.285 HA3 :: 3.808 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.896 CB :: 30.406 CG :: 27.175 CD :: 49.866 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 :: 4.328 HB2 :: 2.151 HB3 :: 2.523 HG2 :: 1.887 HG3 :: 2.012 HD2 :: 3.929 HD3 :: 3.650 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) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.757 CB :: 32.178 CG :: 27.675 CD :: 50.140 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 :: 4.334 HB2 :: 1.965 HB3 :: 2.429 HG2 :: 2.259 HG3 :: 2.059 HD2 :: 3.426 HD3 :: 3.737 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) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 62.603 CB :: 69.601 CG2 :: 22.658 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>> HA :: 4.148 HB :: 4.351 HG21 :: 1.244 HG22 :: 1.244 HG23 :: 1.244 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) 1.W46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.95 H 0.04 C Shift Assignments>> CA :: 54.299 CB :: 30.070 CD1 :: 126.912 CE3 :: 120.309 CZ2 :: 114.473 CZ3 :: 121.688 CH2 :: 123.846 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>> HA :: 4.995 HB2 :: 2.569 HB3 :: 3.465 HD1 :: 7.200 HE1 :: 10.080 HE3 :: 7.230 HZ2 :: 7.495 HZ3 :: 6.938 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>> NE1 :: 128.898 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.639 CA :: 62.746 CB :: 32.157 CG :: 28.192 CD :: 49.667 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 :: 4.188 HB2 :: 1.920 HB3 :: 2.178 HG2 :: 1.873 HG3 :: 1.958 HD2 :: 3.095 HD3 :: 4.007 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) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 L 0.19 M 0.13 C Shift Assignments>> C :: 176.122 CA :: 50.825 CB :: 21.887 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.258 HA :: 5.312 HB1 :: 1.447 HB2 :: 1.447 HB3 :: 1.447 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.153 Ave N Shift Values>> N :: 123.23(3.7) 1.T49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.774 CA :: 62.193 CB :: 71.261 CG2 :: 20.560 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 :: 8.750 HA :: 4.103 HB :: 2.323(S) HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 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 :: 115.316 Ave N Shift Values>> N :: 115.7(5.05) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 F 0.45 C Shift Assignments>> C :: 175.204 CA :: 57.852 CB :: 38.207 CD1 :: 129.097 CD2 :: 129.097 CE1 :: 130.421 CE2 :: 130.421 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 :: 9.994 HA :: 4.410 HB2 :: 2.352 HB3 :: 2.770 HD1 :: 6.765 HD2 :: 6.765 HE1 :: 5.567 HE2 :: 5.567 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 :: 127.182 Ave N Shift Values>> N :: 120.69(4.18) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.18 I 0.17 K 0.01 C Shift Assignments>> C :: 176.870 CA :: 57.822 CB :: 31.784 CG :: 37.677 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 :: 8.331 HA :: 4.246 HB2 :: 2.018 HB3 :: 2.119 HG2 :: 2.171 HG3 :: 2.259 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 :: 124.458 Ave N Shift Values>> N :: 120.68(3.68) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.475 CA :: 61.128 CB :: 71.859 CG2 :: 22.326 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 :: 7.983 HA :: 4.600 HB :: 4.065 HG21 :: 1.299 HG22 :: 1.299 HG23 :: 1.299 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 :: 112.263 Ave N Shift Values>> N :: 115.7(5.05) 1.H53 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> W 0.69 H 0.3 C Shift Assignments>> C :: 171.937 CA :: 58.934 CB :: 32.502 CD2 :: 115.338 CE1 :: 140.334 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 :: 9.166 HA :: 4.630 HB2 :: 2.966 HB3 :: 3.092 HD2 :: 6.266 HE1 :: 7.370 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 :: 126.469 ND1 :: 254.349(A) NE2 :: 159.766(A) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 K 0.28 Q 0.27 M 0.07 R 0.02 I 0.01 C Shift Assignments>> C :: 174.457 CA :: 54.240 CB :: 29.045 CG :: 35.227 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 :: 8.216 HA :: 4.649 HB2 :: 2.589 HB3 :: 2.097 HG2 :: 2.305 HG3 :: 2.417 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 :: 127.978 Ave N Shift Values>> N :: 120.68(3.68) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 Y 0.01 HN Overlap>> 1.L117 1.L117 C Shift Assignments>> C :: 173.475 CA :: 57.284 CB :: 37.260 CD1 :: 132.123 CD2 :: 132.123 CE1 :: 130.486 CE2 :: 130.486 CZ :: 127.992 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 :: 8.438 HA :: 3.721 HB2 :: 2.485 HB3 :: 3.280 HD1 :: 6.726 HD2 :: 6.726 HE1 :: 7.028 HE2 :: 7.028 HZ :: 6.411 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 :: 126.598 Ave N Shift Values>> N :: 120.69(4.18) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.E144 1.E144 C Shift Assignments>> C :: 173.731 CA :: 59.725 CB :: 70.682 CG2 :: 20.251 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 :: 8.446 HA :: 4.243 HB :: 3.975 HG21 :: 1.006 HG22 :: 1.006 HG23 :: 1.006 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 :: 118.377 Ave N Shift Values>> N :: 115.7(5.05) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.553 CA :: 67.306 CB :: 30.618 CG1 :: 21.362 CG2 :: 23.575 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 :: 8.677 HA :: 3.282 HB :: 2.004 HG11 :: 0.938 HG12 :: 0.938 HG13 :: 0.938 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 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 :: 126.601 Ave N Shift Values>> N :: 121.02(4.96) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 R 0.04 C Shift Assignments>> C :: 174.521 CA :: 45.197 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.825 HA2 :: 3.827 HA3 :: 4.508 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.381 Ave N Shift Values>> N :: 109.91(4.29) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.18 R 0.11 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.215 CA :: 44.774 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.085 HA2 :: 4.254 HA3 :: 4.497 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.118 Ave N Shift Values>> N :: 109.91(4.29) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.42 G 0.02 M 0.01 C Shift Assignments>> C :: 176.763 CA :: 54.381 CB :: 36.120 CG :: 25.470 CD :: 29.009 CE :: 42.039 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 :: 8.687 HA :: 5.581 HB2 :: 1.806 HB3 :: 2.072 HG2 :: 1.587 HG3 :: 1.680 HD2 :: 1.762 HD3 :: 1.762 HE2 :: 2.947 HE3 :: 2.985 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 :: 119.286 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 L 0.32 M 0.11 K 0.02 C Shift Assignments>> C :: 176.251 CA :: 50.154 CB :: 22.567 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.723 HA :: 5.010 HB1 :: 1.298 HB2 :: 1.298 HB3 :: 1.298 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.869 Ave N Shift Values>> N :: 123.23(3.7) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 L 0.3 M 0.17 K 0.02 C Shift Assignments>> C :: 174.799 CA :: 51.771 CB :: 22.062 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.730 HA :: 4.961 HB1 :: 1.506 HB2 :: 1.506 HB3 :: 1.506 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.217 Ave N Shift Values>> N :: 123.23(3.7) 1.Y63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.R120 1.M143 1.R120 1.M143 C Shift Assignments>> C :: 173.347 CA :: 54.247 CB :: 40.781 CD1 :: 132.645 CD2 :: 132.645 CE1 :: 117.323 CE2 :: 117.323 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.784 HA :: 5.219 HB2 :: 1.743 HB3 :: 0.520(S) HD1 :: 5.904 HD2 :: 5.904 HE1 :: 6.514 HE2 :: 6.514 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 :: 118.658 Ave N Shift Values>> N :: 120.79(4.69) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> C :: 173.291 CA :: 55.066 CB :: 41.624 CD1 :: 133.752 CD2 :: 133.752 CE1 :: 117.719 CE2 :: 117.719 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 :: 8.492 HA :: 5.522 HB2 :: 2.758 HB3 :: 2.883 HD1 :: 6.786 HD2 :: 6.786 HE1 :: 6.698 HE2 :: 6.698 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 :: 113.935 Ave N Shift Values>> N :: 120.79(4.69) 1.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.4 C Shift Assignments>> C :: 175.759 CA :: 54.248 CB :: 36.435 CG :: 33.125 CE :: 17.515 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.417 HA :: 5.390 HB2 :: 2.142 HB3 :: 2.465 HG2 :: 2.735 HG3 :: 2.542 HE1 :: 2.038 HE2 :: 2.038 HE3 :: 2.038 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.762 Ave N Shift Values>> N :: 120.1(3.88) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.M135 1.M135 C Shift Assignments>> C :: 174.073 CA :: 61.763 CB :: 69.555 CG2 :: 21.081 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 :: 7.977 HA :: 4.937 HB :: 3.932 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.054 Ave N Shift Values>> N :: 115.7(5.05) 1.G67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.38 L 0.3 K 0.08 D 0.06 F 0.05 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 174.181 CA :: 43.012 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.602 HA2 :: 1.662(S) HA3 :: 3.425 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.011 Ave N Shift Values>> N :: 109.91(4.29) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> C :: 177.251 CA :: 64.626 CB :: 32.002 CG :: 27.107 CD :: 48.969 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 :: 4.193 HB2 :: 1.857 HB3 :: 2.263 HG2 :: 1.864 HG3 :: 1.950 HD2 :: 2.967 HD3 :: 2.912 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) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.34 L 0.11 F 0.06 Y 0.06 K 0.03 HN Overlap>> 1.R35 1.R35 C Shift Assignments>> C :: 176.998 CA :: 52.598 CB :: 40.278 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 :: 7.818 HA :: 4.594 HB2 :: 2.621 HB3 :: 2.986 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 :: 114.611 Ave N Shift Values>> N :: 120.73(4.2) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.15 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 174.436 CA :: 44.915 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.188 HA2 :: 3.394 HA3 :: 4.219 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.390 Ave N Shift Values>> N :: 109.91(4.29) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.834 CA :: 64.078 CB :: 69.484 CG2 :: 21.611 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 :: 7.613 HA :: 4.000 HB :: 4.143 HG21 :: 1.348 HG22 :: 1.348 HG23 :: 1.348 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.146 Ave N Shift Values>> N :: 115.7(5.05) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.26 M 0.03 HN Overlap>> 1.F129 1.F129 C Shift Assignments>> C :: 176.144 CA :: 54.962 CB :: 35.034 CG :: 25.181 CD :: 29.307 CE :: 41.626 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 :: 8.543 HA :: 5.526 HB2 :: 1.394 HB3 :: 1.658 HG2 :: 1.230 HG3 :: 1.401 HD2 :: 0.957 HD3 :: 1.222 HE2 :: 2.446 HE3 :: 2.511 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 :: 123.280 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.13 L 0.08 C Shift Assignments>> C :: 176.592 CA :: 51.029 CB :: 21.178 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.271 HA :: 4.848 HB1 :: 1.492 HB2 :: 1.492 HB3 :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.197 Ave N Shift Values>> N :: 123.23(3.7) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.35 G 0.05 C Shift Assignments>> C :: 175.973 CA :: 55.871 CB :: 32.844 CG :: 29.396 CD :: 42.782 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 :: 8.803 HA :: 4.966 HB2 :: 1.763 HB3 :: 1.898 HG2 :: 1.493 HG3 :: 1.596 HD2 :: 3.086 HD3 :: 3.216 HE :: 7.340 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 :: 121.814 NE :: 84.601 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.2 R 0.14 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.934 CA :: 44.663 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.846 HA2 :: 3.330 HA3 :: 4.569 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.384 Ave N Shift Values>> N :: 109.91(4.29) 1.W76 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 :: 173.048 CA :: 54.488 CB :: 32.327 CD1 :: 126.345 CE3 :: 120.024 CZ2 :: 114.351 CZ3 :: 121.434 CH2 :: 124.437 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 :: 8.170 HA :: 5.351 HB2 :: 2.999 HB3 :: 3.543 HD1 :: 6.496 HE1 :: 10.137 HE3 :: 7.243 HZ2 :: 7.563 HZ3 :: 6.921 HH2 :: 7.192 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 :: 117.672 NE1 :: 129.150 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.W77 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 178.834 CA :: 52.713 CB :: 35.179 CD1 :: 122.785 CE3 :: 119.232 CZ2 :: 119.941(A) CZ3 :: 118.654 CH2 :: 125.243 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 :: 8.991 HA :: 6.226 HB2 :: 2.491 HB3 :: 2.694 HD1 :: 7.354 HE3 :: 6.270 HZ2 :: 7.452 HZ3 :: 6.464 HH2 :: 6.384 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 :: 116.481 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 Q 0.23 E 0.11 K 0.04 HN Overlap>> 1.F94 1.F94 C Shift Assignments>> C :: 175.777 CA :: 55.536 CB :: 32.373 CG :: 33.654 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 :: 9.042 HA :: 5.395 HB2 :: 2.187 HB3 :: 2.353 HG2 :: 2.259 HG3 :: 2.346 HE21 :: 7.599 HE22 :: 6.871 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 :: 119.109 NE2 :: 111.223 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.L114 1.L114 C Shift Assignments>> C :: 177.724 CA :: 60.320 CB :: 39.760 CD1 :: 132.654 CD2 :: 132.654 CE1 :: 130.456 CE2 :: 130.456 CZ :: 129.374 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 :: 8.976 HA :: 4.717 HB2 :: 3.513 HB3 :: 2.714 HD1 :: 7.361 HD2 :: 7.361 HE1 :: 6.904 HE2 :: 6.904 HZ :: 7.046 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 :: 125.363 Ave N Shift Values>> N :: 120.69(4.18) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.290 CA :: 63.120 CB :: 69.239 CG2 :: 21.333 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.369 HA :: 4.771 HB :: 4.374 HG21 :: 1.269 HG22 :: 1.269 HG23 :: 1.269 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 :: 116.036 Ave N Shift Values>> N :: 115.7(5.05) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.557 CA :: 63.575 CB :: 72.938 CG2 :: 20.977 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 :: 7.699 HA :: 4.436 HB :: 3.578 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.223 Ave N Shift Values>> N :: 115.7(5.05) 1.I82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.688 CA :: 63.018 CB :: 41.140 CG1 :: 26.539 CG2 :: 18.277 CD1 :: 11.762 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 :: 8.758 HA :: 4.188 HB :: 1.574 HG12 :: 1.009 HG13 :: 0.505 HG21 :: 0.737 HG22 :: 0.737 HG23 :: 0.737 HD11 :: -0.626(S) HD12 :: -0.626(S) HD13 :: -0.626(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.071 Ave N Shift Values>> N :: 121.6(4.72) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 M 0.23 Q 0.23 K 0.18 C Shift Assignments>> C :: 173.680 CA :: 53.675 CB :: 30.154 CG :: 35.268 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.034 HA :: 4.656 HB2 :: 1.956 HB3 :: 2.031 HG2 :: 2.072 HG3 :: 2.203 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 :: 130.525 Ave N Shift Values>> N :: 120.68(3.68) 1.A84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.87 M 0.12 C Shift Assignments>> C :: 176.421 CA :: 50.458 CB :: 17.766 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.519 HA :: 2.475(S) HB1 :: 0.831 HB2 :: 0.831 HB3 :: 0.831 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.744 Ave N Shift Values>> N :: 123.23(3.7) 1.P85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> G 0.85 P 0.13 A 0.01 C Shift Assignments>> C :: 171.507 CA :: 63.474 CB :: 31.084 CG :: 23.805 CD :: 47.950 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 :: 2.480(S) HB2 :: 2.226 HB3 :: 1.372 HG2 :: 1.402 HG3 :: 1.686 HD2 :: 3.108 HD3 :: 3.266 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) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.28 G 0.17 D 0.07 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 177.169 CA :: 55.057 CB :: 43.967 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 :: 7.581 HA :: 4.954 HB2 :: 2.392 HB3 :: 3.219 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 :: 114.376 Ave N Shift Values>> N :: 120.73(4.2) 1.H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.84 W 0.14 HN Overlap>> 1.L165 1.L165 C Shift Assignments>> C :: 171.489 CA :: 54.148 CB :: 31.866 CD2 :: 117.034 CE1 :: 136.904 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 :: 8.118 HA :: 5.822 HB2 :: 3.235 HB3 :: 3.330 HD2 :: 6.936 HE1 :: 8.496 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 :: 119.978 ND1 :: 188.918 NE2 :: 177.458 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.29 C Shift Assignments>> C :: 173.966 CA :: 53.651 CB :: 46.562 CG :: 27.175 CD1 :: 25.461 CD2 :: 26.370 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 :: 9.053 HA :: 4.935 HB2 :: 1.551 HB3 :: 1.449 HG :: 1.248 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 0.224 HD22 :: 0.224 HD23 :: 0.224 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 :: 129.609 Ave N Shift Values>> N :: 121.98(4.07) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 E 0.35 C Shift Assignments>> C :: 175.674 CA :: 54.496 CB :: 34.392 CG :: 36.979 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.289 HA :: 5.330 HB2 :: 1.867 HB3 :: 2.085 HG2 :: 2.854 HG3 :: 2.005 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 :: 120.668 Ave N Shift Values>> N :: 120.68(3.68) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 172.087 CA :: 55.497 CB :: 40.539 CD1 :: 130.590 CD2 :: 130.590 CE1 :: 129.360 CE2 :: 129.360 CZ :: 128.416 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 :: 8.103 HA :: 5.233 HB2 :: 2.338 HB3 :: 2.875 HD1 :: 5.952 HD2 :: 5.952 HE1 :: 5.973 HE2 :: 5.973 HZ :: 6.243 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 :: 116.373 Ave N Shift Values>> N :: 120.69(4.18) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.22 R 0.18 G 0.07 K 0.07 N 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.055 CA :: 52.909 CB :: 43.003 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 :: 8.795 HA :: 5.573 HB2 :: 2.684 HB3 :: 2.684 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.198 Ave N Shift Values>> N :: 120.73(4.2) 1.D92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.094 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.550 Ave N Shift Values>> N :: 120.73(4.2) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.3 R 0.29 L 0.28 F 0.03 D 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.318 CA :: 44.086 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.509 HA3 :: 4.260 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.Q78 1.Q78 C Shift Assignments>> C :: 175.033 CA :: 58.055 CB :: 41.250 CD1 :: 132.239 CD2 :: 132.239 CE1 :: 131.030 CE2 :: 131.030 CZ :: 129.400 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 :: 9.104 HA :: 5.038 HB2 :: 2.942 HB3 :: 3.379 HD1 :: 7.464 HD2 :: 7.464 HE1 :: 7.342 HE2 :: 7.342 HZ :: 7.281 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 :: 119.054 Ave N Shift Values>> N :: 120.69(4.18) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.19 P 0.15 G 0.1 M 0.06 K 0.05 R 0.01 C Shift Assignments>> C :: 175.991 CA :: 49.381 CB :: 23.536 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.298 HA :: 5.491 HB1 :: 1.133 HB2 :: 1.133 HB3 :: 1.133 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.123 Ave N Shift Values>> N :: 123.23(3.7) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.26 L 0.16 K 0.06 F 0.04 Y 0.04 R 0.01 C Shift Assignments>> C :: 177.596 CA :: 51.788 CB :: 41.095 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 :: 8.881 HA :: 4.673 HB2 :: 2.659 HB3 :: 3.353 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.744 Ave N Shift Values>> N :: 120.73(4.2) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 K 0.26 Q 0.23 I 0.09 M 0.03 R 0.02 C Shift Assignments>> C :: 176.870 CA :: 58.381 CB :: 28.863 CG :: 35.052 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 :: 8.746 HA :: 3.998 HB2 :: 1.824 HB3 :: 1.922 HG2 :: 1.760 HG3 :: 1.836 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 :: 114.950 Ave N Shift Values>> N :: 120.68(3.68) 1.H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.54 W 0.45 C Shift Assignments>> C :: 175.521 CA :: 54.593 CB :: 29.422 CD2 :: 119.771 CE1 :: 137.297 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 :: 8.278 HA :: 4.767 HB2 :: 3.227 HB3 :: 3.432 HD2 :: 7.171 HE1 :: 8.254 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 :: 117.199 ND1 :: 195.619 NE2 :: 175.257 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G99 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 :: 173.411 CA :: 45.163 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.355 HA2 :: 3.436 HA3 :: 4.238 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.754 Ave N Shift Values>> N :: 109.91(4.29) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.09 C Shift Assignments>> C :: 175.012 CA :: 49.859 CB :: 18.051 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.485 HA :: 4.642 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.605 Ave N Shift Values>> N :: 123.23(3.7) 1.P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.187 CA :: 63.289 CB :: 32.321 CG :: 27.302 CD :: 50.265 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 :: 4.649 HB2 :: 1.872 HB3 :: 2.162 HG2 :: 1.189 HG3 :: 1.800 HD2 :: 3.514 HD3 :: 3.674 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) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.141 CA :: 61.112 CB :: 31.439 CG1 :: 21.942 CG2 :: 20.230 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 :: 8.484 HA :: 4.345 HB :: 2.106 HG11 :: 1.075 HG12 :: 1.075 HG13 :: 1.075 HG21 :: 0.985 HG22 :: 0.985 HG23 :: 0.985 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 :: 124.472 Ave N Shift Values>> N :: 121.02(4.96) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 K 0.14 L 0.13 D 0.1 I 0.06 R 0.02 N 0.01 C Shift Assignments>> C :: 179.219 CA :: 57.563 CB :: 40.670 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 :: 8.709 HA :: 4.473 HB2 :: 2.676 HB3 :: 2.733 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 :: 129.585 Ave N Shift Values>> N :: 120.73(4.2) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.29 K 0.13 Q 0.05 M 0.02 C Shift Assignments>> C :: 177.105 CA :: 59.194 CB :: 29.017 CG :: 36.186 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.377 HA :: 4.139 HB2 :: 1.992 HB3 :: 2.076 HG2 :: 2.289 HG3 :: 2.289 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 :: 118.807 Ave N Shift Values>> N :: 120.68(3.68) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 R 0.17 G 0.07 A 0.05 C Shift Assignments>> C :: 177.340 CA :: 54.828 CB :: 42.985 CG :: 27.473 CD1 :: 25.256 CD2 :: 22.780 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.209 HA :: 4.480 HB2 :: 1.795 HB3 :: 1.903 HG :: 1.541 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 HD21 :: 0.742 HD22 :: 0.742 HD23 :: 0.742 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 :: 116.925 Ave N Shift Values>> N :: 121.98(4.07) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 172.706 CA :: 45.482 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.622 HA2 :: 4.142 HA3 :: 4.225 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.879 Ave N Shift Values>> N :: 109.91(4.29) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.333 CA :: 61.176 CB :: 35.065 CG1 :: 21.867 CG2 :: 21.364 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 :: 8.506 HA :: 4.828 HB :: 2.023 HG11 :: 1.019 HG12 :: 1.019 HG13 :: 1.019 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 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 :: 120.488 Ave N Shift Values>> N :: 121.02(4.96) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S15 1.S15 C Shift Assignments>> C :: 172.510 CA :: 60.828 CB :: 70.418 CG2 :: 22.168 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 :: 8.971 HA :: 4.639 HB :: 3.822 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 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 :: 121.537 Ave N Shift Values>> N :: 115.7(5.05) 1.H109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.56 W 0.43 HN Overlap>> 1.E140 1.E140 C Shift Assignments>> C :: 172.468 CA :: 54.326 CB :: 29.880 CD2 :: 119.978 CE1 :: 135.704 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 :: 8.343 HA :: 5.249 HB2 :: 2.947 HB3 :: 3.189 HD2 :: 6.989 HE1 :: 8.618 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.222 NE2 :: 174.150 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 175.799 CA :: 50.166 CB :: 19.664 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.797 HA :: 5.006 HB1 :: -0.089(S) HB2 :: -0.089(S) HB3 :: -0.089(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.186 Ave N Shift Values>> N :: 123.23(3.7) 1.T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.386 CA :: 61.571 CB :: 70.434 CG2 :: 20.797 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 :: 8.769 HA :: 4.523 HB :: 3.948 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 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 :: 116.711 Ave N Shift Values>> N :: 115.7(5.05) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.012 CA :: 60.727 CB :: 33.421 CG1 :: 20.139 CG2 :: 20.237 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 :: 9.390 HA :: 4.931 HB :: 1.682 HG11 :: 0.535 HG12 :: 0.535 HG13 :: 0.535 HG21 :: 0.245 HG22 :: 0.245 HG23 :: 0.245 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 :: 127.720 Ave N Shift Values>> N :: 121.02(4.96) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.26 M 0.02 G 0.01 HN Overlap>> 1.L114 1.L114 C Shift Assignments>> C :: 175.695 CA :: 54.232 CB :: 35.800 CG :: 25.009 CD :: 29.005 CE :: 41.662 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 :: 8.819 HA :: 5.326 HB2 :: 1.681 HB3 :: 1.854 HG2 :: 1.292 HG3 :: 1.346 HD2 :: 1.553 HD3 :: 1.655 HE2 :: 2.636 HE3 :: 2.710 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 :: 125.455 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 G 0.18 L 0.13 K 0.05 HN Overlap>> 1.F79 1.K113 1.F79 1.K113 C Shift Assignments>> C :: 175.994 CA :: 54.208 CB :: 43.549 CG :: 29.571 CD1 :: 25.732 CD2 :: 26.556 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 :: 8.903 HA :: 5.547 HB2 :: 1.507 HB3 :: 2.233 HG :: 1.715 HD11 :: 1.305 HD12 :: 1.305 HD13 :: 1.305 HD21 :: 1.182 HD22 :: 1.182 HD23 :: 1.182 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 :: 125.385 Ave N Shift Values>> N :: 121.98(4.07) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 E 0.23 C Shift Assignments>> C :: 172.898 CA :: 52.332 CB :: 33.540 CG :: 36.679 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.292 HA :: 5.036 HB2 :: 1.957 HB3 :: 2.095 HG2 :: 2.089 HG3 :: 2.237 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 :: 120.920 Ave N Shift Values>> N :: 120.68(3.68) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.162 CA :: 62.776 CB :: 32.051 CG :: 26.966 CD :: 50.946 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 :: 4.777 HB2 :: 2.164 HB3 :: 2.355 HG2 :: 2.361 HG3 :: 2.152 HD2 :: 3.946 HD3 :: 3.856 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) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 A 0.08 R 0.03 G 0.02 HN Overlap>> 1.F55 1.F55 C Shift Assignments>> C :: 176.827 CA :: 52.758 CB :: 42.191 CG :: 26.280 CD1 :: 25.734 CD2 :: 23.124 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 :: 8.445 HA :: 4.638 HB2 :: 1.416 HB3 :: 1.416 HG :: 1.485 HD11 :: 0.752 HD12 :: 0.752 HD13 :: 0.752 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 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 :: 126.561 Ave N Shift Values>> N :: 121.98(4.07) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 E 0.35 K 0.12 Q 0.05 R 0.01 C Shift Assignments>> C :: 175.589 CA :: 59.157 CB :: 27.464 CG :: 36.207 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 :: 8.752 HA :: 3.847 HB2 :: 2.116 HB3 :: 2.259 HG2 :: 2.251 HG3 :: 2.285 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 :: 121.522 Ave N Shift Values>> N :: 120.68(3.68) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.14 Y 0.14 F 0.09 E 0.06 L 0.02 M 0.02 I 0.01 C Shift Assignments>> C :: 173.624 CA :: 53.935 CB :: 38.046 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 :: 8.634 HA :: 4.801 HB2 :: 2.940 HB3 :: 2.940 HD21 :: 7.616 HD22 :: 6.985 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 :: 120.857 ND2 :: 113.484 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 K 0.36 G 0.16 HN Overlap>> 1.E145 1.Y63 1.E145 1.Y63 C Shift Assignments>> C :: 176.144 CA :: 55.399 CB :: 32.845 CG :: 28.625 CD :: 43.529 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.853 HA :: 4.941 HB2 :: 1.868 HB3 :: 2.044 HG2 :: 1.635 HG3 :: 1.674 HD2 :: 3.189 HD3 :: 3.189 HE :: 7.310 HH11 :: 6.893 HH12 :: 6.462 HH21 :: 6.893 HH22 :: 6.462 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.618 NE :: 84.837 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.877 CA :: 63.544 CB :: 72.879 CG2 :: 22.501 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 :: 8.792 HA :: 4.938 HB :: 3.837 HG1 :: 5.973 HG21 :: 1.199 HG22 :: 1.199 HG23 :: 1.199 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.298 Ave N Shift Values>> N :: 115.7(5.05) 1.R122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.25 G 0.2 C Shift Assignments>> C :: 174.030 CA :: 54.522 CB :: 33.099 CG :: 27.361 CD :: 43.536 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 :: 9.373 HA :: 5.128 HB2 :: 1.755 HB3 :: 1.864 HG2 :: 1.461 HG3 :: 1.669 HD2 :: 3.078 HD3 :: 3.168 HE :: 7.557 HH11 :: 6.854 HH12 :: 6.474 HH21 :: 6.854 HH22 :: 6.474 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 :: 127.047 NE :: 84.137 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.M123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 I 0.01 C Shift Assignments>> C :: 173.488 CA :: 53.963 CB :: 39.430 CG :: 32.590 CE :: 17.616 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.875 HA :: 5.547 HB2 :: 1.786 HB3 :: 2.437 HG2 :: 2.263 HG3 :: 2.632 HE1 :: 2.072 HE2 :: 2.072 HE3 :: 2.072 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 130.300 Ave N Shift Values>> N :: 120.1(3.88) 1.T124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.700 CA :: 62.102 CB :: 70.561 CG2 :: 20.288 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.168 HA :: 5.233 HB :: 3.933 HG21 :: 1.129 HG22 :: 1.129 HG23 :: 1.129 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 :: 125.511 Ave N Shift Values>> N :: 115.7(5.05) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.500 CA :: 59.592 CB :: 41.066 CG1 :: 27.819 CG2 :: 16.121 CD1 :: 14.396 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 :: 9.177 HA :: 5.307 HB :: 1.847 HG12 :: 1.281 HG13 :: 1.777 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 HD11 :: 1.375 HD12 :: 1.375 HD13 :: 1.375 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 :: 125.633 Ave N Shift Values>> N :: 121.6(4.72) 1.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.101 CA :: 60.473 CB :: 40.846 CG1 :: 27.243 CG2 :: 17.504 CD1 :: 14.199 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 :: 9.301 HA :: 4.719 HB :: 1.681 HG12 :: 1.003 HG13 :: 1.446 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 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 :: 128.663 Ave N Shift Values>> N :: 121.6(4.72) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D21 1.D21 C Shift Assignments>> C :: 172.984 CA :: 57.537 CB :: 64.696 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.345 HA :: 5.233 HB2 :: 3.293 HB3 :: 3.661 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 :: 125.865 Ave N Shift Values>> N :: 116.3(3.95) 1.T128 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 :: 60.282 CB :: 70.852 CG2 :: 22.162 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 :: 9.080 HA :: 5.271 HB :: 4.158 HG21 :: 1.265 HG22 :: 1.265 HG23 :: 1.265 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.442 Ave N Shift Values>> N :: 115.7(5.05) 1.F129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 HN Overlap>> 1.K72 1.K72 C Shift Assignments>> C :: 175.009 CA :: 57.243 CB :: 41.637 CD1 :: 132.117 CD2 :: 132.117 CE1 :: 131.262 CE2 :: 131.262 CZ :: 129.066 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 :: 8.513 HA :: 4.847 HB2 :: 2.682 HB3 :: 3.672 HD1 :: 7.256 HD2 :: 7.256 HE1 :: 7.272 HE2 :: 7.272 HZ :: 7.245 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 :: 123.280 Ave N Shift Values>> N :: 120.69(4.18) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.2 I 0.12 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.275 CA :: 57.812 CB :: 31.348 CG :: 36.855 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.643 HA :: 4.304 HB2 :: 2.205 HB3 :: 2.205 HG2 :: 2.381 HG3 :: 2.760 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 :: 117.651 Ave N Shift Values>> N :: 120.68(3.68) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 173.902 CA :: 56.895 CB :: 66.195 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.630 HA :: 4.707 HB2 :: 4.126 HB3 :: 4.316 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 :: 108.265 Ave N Shift Values>> N :: 116.3(3.95) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.41 K 0.07 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.151 CA :: 59.730 CB :: 29.282 CG :: 36.650 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.479 HA :: 3.845 HB2 :: 2.038 HB3 :: 2.107 HG2 :: 2.257 HG3 :: 2.305 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 :: 123.638 Ave N Shift Values>> N :: 120.68(3.68) 1.E133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 E 0.41 K 0.07 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.920 CA :: 59.997 CB :: 28.972 CG :: 36.693 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 :: 8.824 HA :: 4.001 HB2 :: 1.952 HB3 :: 2.120 HG2 :: 2.313 HG3 :: 2.351 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 :: 119.993 Ave N Shift Values>> N :: 120.68(3.68) 1.Q134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.27 R 0.2 E 0.05 M 0.05 P 0.02 I 0.01 C Shift Assignments>> C :: 177.873 CA :: 59.070 CB :: 28.334 CG :: 32.882 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 :: 8.138 HA :: 4.030 HB2 :: 2.138 HB3 :: 2.573 HG2 :: 2.314 HG3 :: 2.729 HE21 :: 7.915 HE22 :: 6.722 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 :: 121.674 NE2 :: 110.919 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 I 0.01 HN Overlap>> 1.T66 1.T66 C Shift Assignments>> C :: 177.979 CA :: 59.730 CB :: 32.428 CG :: 32.022 CE :: 17.827 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.867 HA :: 2.913 HB2 :: 1.530 HB3 :: 2.033 HG2 :: 1.468 HG3 :: 1.964 HE1 :: 1.924 HE2 :: 1.924 HE3 :: 1.924 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.032 Ave N Shift Values>> N :: 120.1(3.88) 1.Q136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.31 R 0.2 E 0.06 M 0.03 I 0.02 C Shift Assignments>> C :: 178.557 CA :: 58.416 CB :: 27.658 CG :: 33.261 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 :: 8.342 HA :: 4.051 HB2 :: 2.063 HB3 :: 2.177 HG2 :: 2.387 HG3 :: 2.477 HE21 :: 7.638 HE22 :: 6.746 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 :: 118.123 NE2 :: 111.381 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.35 M 0.02 G 0.01 C Shift Assignments>> C :: 179.325 CA :: 58.910 CB :: 31.809 CG :: 24.902 CD :: 28.748 CE :: 41.942 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 :: 8.068 HA :: 4.055 HB2 :: 1.882 HB3 :: 1.962 HG2 :: 1.474 HG3 :: 1.531 HD2 :: 1.665 HD3 :: 1.665 HE2 :: 2.903 HE3 :: 2.903 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 :: 121.175 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.88 A 0.09 I 0.02 C Shift Assignments>> C :: 178.898 CA :: 57.778 CB :: 31.745 CG :: 33.404 CE :: 18.853 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.197 HA :: 4.287 HB2 :: 2.110 HB3 :: 2.051 HG2 :: 2.753 HG3 :: 2.907 HE1 :: 2.249 HE2 :: 2.249 HE3 :: 2.249 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.366 Ave N Shift Values>> N :: 120.1(3.88) 1.A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.36 I 0.03 C Shift Assignments>> C :: 182.571 CA :: 54.906 CB :: 17.534 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.107 HA :: 4.182 HB1 :: 1.474 HB2 :: 1.474 HB3 :: 1.474 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.268 Ave N Shift Values>> N :: 123.23(3.7) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.27 K 0.12 Q 0.04 M 0.03 HN Overlap>> 1.H109 1.H109 C Shift Assignments>> C :: 178.172 CA :: 58.897 CB :: 29.297 CG :: 36.397 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 :: 8.359 HA :: 4.042 HB2 :: 2.211 HB3 :: 2.148 HG2 :: 2.303 HG3 :: 2.479 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 :: 121.173 Ave N Shift Values>> N :: 120.68(3.68) 1.M141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.85 A 0.13 C Shift Assignments>> C :: 176.144 CA :: 56.156 CB :: 33.396 CG :: 32.019 CE :: 16.588 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.649 HA :: 4.328 HB2 :: 2.142 HB3 :: 2.270 HG2 :: 2.584 HG3 :: 2.686 HE1 :: 1.836 HE2 :: 1.836 HE3 :: 1.836 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.116 Ave N Shift Values>> N :: 120.1(3.88) 1.G142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.566 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.795 HA2 :: 3.980 HA3 :: 4.216 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.954 Ave N Shift Values>> N :: 109.91(4.29) 1.M143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 A 0.02 I 0.01 HN Overlap>> 1.Y63 1.Y63 C Shift Assignments>> C :: 177.528 CA :: 58.860 CB :: 32.873 CG :: 32.403 CE :: 17.690 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.807 HA :: 4.066 HB2 :: 1.817 HB3 :: 2.082 HG2 :: 2.415 HG3 :: 2.706 HE1 :: 2.030 HE2 :: 2.030 HE3 :: 2.030 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.744 Ave N Shift Values>> N :: 120.1(3.88) 1.E144 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.38 K 0.21 I 0.2 Q 0.15 M 0.02 R 0.01 HN Overlap>> 1.T56 1.T56 C Shift Assignments>> C :: 178.447 CA :: 59.449 CB :: 28.746 CG :: 35.343 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 :: 8.418 HA :: 3.646 HB2 :: 1.717 HB3 :: 1.717 HG2 :: 1.305(S) HG3 :: 1.756 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 :: 118.361 Ave N Shift Values>> N :: 120.68(3.68) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.29 K 0.12 Q 0.04 M 0.02 HN Overlap>> 1.R120 1.R120 C Shift Assignments>> C :: 178.792 CA :: 58.923 CB :: 29.048 CG :: 36.386 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 :: 7.957 HA :: 4.114 HB2 :: 2.018 HB3 :: 2.018 HG2 :: 2.308 HG3 :: 2.376 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 :: 118.582 Ave N Shift Values>> N :: 120.68(3.68) 1.G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 175.585 CA :: 47.124 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.250 HA2 :: 3.806 HA3 :: 3.806 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.346 Ave N Shift Values>> N :: 109.91(4.29) 1.M147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 A 0.02 I 0.01 HN Overlap>> 1.A156 1.A156 1.V24 1.V24 C Shift Assignments>> C :: 178.126 CA :: 58.622 CB :: 33.109 CG :: 32.806 CE :: 17.055 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.085 HA :: 4.186 HB2 :: 2.106 HB3 :: 2.274 HG2 :: 2.606 HG3 :: 2.713 HE1 :: 2.133 HE2 :: 2.133 HE3 :: 2.133 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.793 Ave N Shift Values>> N :: 120.1(3.88) 1.R148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.19 K 0.08 C Shift Assignments>> C :: 177.724 CA :: 60.823 CB :: 29.571 CG :: 28.007 CD :: 43.273 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.695 HA :: 3.854 HB2 :: 1.965 HB3 :: 2.115 HG2 :: 1.694 HG3 :: 1.694 HD2 :: 3.258 HD3 :: 3.333 HE :: 7.708 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.527 NE :: 83.888 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.31 K 0.07 M 0.04 Q 0.01 C Shift Assignments>> C :: 179.496 CA :: 59.162 CB :: 29.831 CG :: 36.713 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 :: 8.378 HA :: 4.008 HB2 :: 2.023 HB3 :: 2.242 HG2 :: 2.330 HG3 :: 2.640 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 :: 116.043 Ave N Shift Values>> N :: 120.68(3.68) 1.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.33 I 0.04 C Shift Assignments>> C :: 180.607 CA :: 55.360 CB :: 18.029 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.316 HA :: 4.362 HB1 :: 1.588 HB2 :: 1.588 HB3 :: 1.588 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.818 Ave N Shift Values>> N :: 123.23(3.7) 1.I151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 180.051 CA :: 63.384 CB :: 37.528 CG1 :: 30.670 CG2 :: 18.090 CD1 :: 14.655 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 :: 8.226 HA :: 3.704 HB :: 2.066 HG12 :: 1.324 HG13 :: 2.023 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 HD11 :: 0.977 HD12 :: 0.977 HD13 :: 0.977 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 :: 118.438 Ave N Shift Values>> N :: 121.6(4.72) 1.E152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.32 K 0.06 M 0.04 Q 0.01 C Shift Assignments>> C :: 178.066 CA :: 58.874 CB :: 29.838 CG :: 36.971 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 :: 8.279 HA :: 4.432 HB2 :: 2.236 HB3 :: 2.300 HG2 :: 2.506 HG3 :: 2.719 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 :: 120.938 Ave N Shift Values>> N :: 120.68(3.68) 1.Q153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 M 0.3 Q 0.08 K 0.05 I 0.04 C Shift Assignments>> C :: 177.532 CA :: 57.256 CB :: 31.480 CG :: 35.854 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 :: 7.894 HA :: 4.378 HB2 :: 2.501 HB3 :: 2.679 HG2 :: 2.333 HG3 :: 3.103 HE21 :: 7.868 HE22 :: 7.932 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 :: 114.701 NE2 :: 115.543 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I154 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.720 CA :: 66.025 CB :: 36.895 CG1 :: 29.686 CG2 :: 17.987 CD1 :: 13.829 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 :: 7.937 HA :: 2.983 HB :: 1.494 HG12 :: -0.690(S) HG13 :: 1.274 HG21 :: -0.372(S) HG22 :: -0.372(S) HG23 :: -0.372(S) HD11 :: -0.466(S) HD12 :: -0.466(S) HD13 :: -0.466(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.362 Ave N Shift Values>> N :: 121.6(4.72) 1.D155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.3 I 0.1 L 0.08 D 0.08 K 0.05 N 0.01 C Shift Assignments>> C :: 178.407 CA :: 57.821 CB :: 40.003 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 :: 8.158 HA :: 4.107 HB2 :: 2.673 HB3 :: 2.730 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 :: 115.771 Ave N Shift Values>> N :: 120.73(4.2) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.47 I 0.02 HN Overlap>> 1.M147 1.V24 1.M147 1.V24 C Shift Assignments>> C :: 180.304 CA :: 54.527 CB :: 18.131 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.129 HA :: 4.216 HB1 :: 1.508 HB2 :: 1.508 HB3 :: 1.508 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.764 Ave N Shift Values>> N :: 123.23(3.7) 1.V157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.023 CA :: 65.813 CB :: 31.622 CG1 :: 21.312 CG2 :: 23.549 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 :: 7.386 HA :: 3.632 HB :: 2.125 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 1.004 HG22 :: 1.004 HG23 :: 1.004 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 :: 120.025 Ave N Shift Values>> N :: 121.02(4.96) 1.L158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 R 0.33 A 0.03 G 0.02 K 0.01 C Shift Assignments>> C :: 177.974 CA :: 55.936 CB :: 42.161 CG :: 25.982 CD1 :: 27.611 CD2 :: 22.965 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 :: 7.855 HA :: 3.978 HB2 :: 1.783 HB3 :: 1.278 HG :: 1.437 HD11 :: 0.316 HD12 :: 0.316 HD13 :: 0.316 HD21 :: 0.438 HD22 :: 0.438 HD23 :: 0.438 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 :: 116.236 Ave N Shift Values>> N :: 121.98(4.07) 1.S159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.094 CA :: 59.164 CB :: 63.866 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.501 HA :: 4.390 HB2 :: 3.935 HB3 :: 4.009 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 :: 112.474 Ave N Shift Values>> N :: 116.3(3.95) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 K 0.18 M 0.16 Q 0.14 I 0.02 C Shift Assignments>> C :: 174.329 CA :: 54.294 CB :: 29.824 CG :: 35.854 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 :: 7.658 HA :: 4.647 HB2 :: 1.980 HB3 :: 2.042 HG2 :: 2.314 HG3 :: 2.398 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 :: 123.246 Ave N Shift Values>> N :: 120.68(3.68) 1.P161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.973 CA :: 63.183 CB :: 32.025 CG :: 27.361 CD :: 50.539 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 :: 4.422 HB2 :: 1.921 HB3 :: 2.303 HG2 :: 2.022 HG3 :: 2.022 HD2 :: 3.690 HD3 :: 3.844 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) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 C Shift Assignments>> C :: 177.745 CA :: 52.860 CB :: 18.871 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.495 HA :: 4.208 HB1 :: 1.356 HB2 :: 1.356 HB3 :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.685 Ave N Shift Values>> N :: 123.23(3.7) 1.N163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.21 Y 0.09 F 0.07 L 0.03 E 0.01 C Shift Assignments>> C :: 175.140 CA :: 53.108 CB :: 38.680 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 :: 8.279 HA :: 4.642 HB2 :: 2.773 HB3 :: 2.818 HD21 :: 7.649 HD22 :: 6.921 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 :: 116.949 ND2 :: 112.729 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 C Shift Assignments>> C :: 177.852 CA :: 52.871 CB :: 19.025 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.193 HA :: 4.240 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.004 Ave N Shift Values>> N :: 123.23(3.7) 1.L165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.07 A 0.03 G 0.01 HN Overlap>> 1.H87 1.H87 C Shift Assignments>> C :: 177.553 CA :: 55.330 CB :: 42.064 CG :: 26.849 CD1 :: 24.904 CD2 :: 23.272 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 :: 8.114 HA :: 4.240 HB2 :: 1.518 HB3 :: 1.623 HG :: 1.604 HD11 :: 0.899 HD12 :: 0.899 HD13 :: 0.899 HD21 :: 0.837 HD22 :: 0.837 HD23 :: 0.837 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 :: 120.002 Ave N Shift Values>> N :: 121.98(4.07) 1.E166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.15 K 0.14 Q 0.1 I 0.06 C Shift Assignments>> C :: 176.272 CA :: 56.553 CB :: 30.120 CG :: 36.047 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 :: 8.123 HA :: 4.165 HB2 :: 1.873 HB3 :: 1.917 HG2 :: 2.134 HG3 :: 2.191 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 :: 120.226 Ave N Shift Values>> N :: 120.68(3.68) 1.H167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.15 R 0.15 W 0.14 E 0.14 K 0.12 M 0.07 I 0.01 HN Overlap>> 1.D23 1.D23 C Shift Assignments>> C :: 174.902 CA :: 55.860 CB :: 29.909 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 :: 8.240 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 :: 119.309 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H168 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H169 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H170 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H171 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H172 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 156 #Clerical: 0 #Suspicious: 14 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 165 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 171 #Suspicious: 1 C Shift Results: #Consistent: 743 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent:1141 #Duplicate: 0 #Unknown: 0 #Suspicious: 29 #Anomalous: 0 N Shift Results: #Consistent: 177 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 Error Summary: 1.S13 HA = 6.043(S), Expected = 4.51, Std = 0.4300, ChiSquare = 3.6369e-04 1.E32 HA = 2.077(S), Expected = 4.26, Std = 0.4300, ChiSquare = 3.8396e-07 1.E32 HB2 = 1.148(S), Expected = 2.04, Std = 0.2200, ChiSquare = 5.0232e-05 1.L37 HG = 0.089(S), Expected = 1.54, Std = 0.3300, ChiSquare = 1.0977e-05 1.L37 HD21 = -0.328(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.0203e-04 1.L37 HD22 = -0.328(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.0203e-04 1.L37 HD23 = -0.328(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.0203e-04 1.W40 SRO Rule Break>> HZ2 > HA : 0.998550724637681 1.W41 HB2 = 2.002(S), Expected = 3.22, Std = 0.3600, ChiSquare = 7.1612e-04 1.W41 HD1 = 5.941(S), Expected = 7.16, Std = 0.3400, ChiSquare = 3.3670e-04 1.W41 HZ2 = 4.128(S), Expected = 7.14, Std = 0.8900, ChiSquare = 7.1368e-04 1.T49 HB = 2.323(S), Expected = 4.17, Std = 0.3700, ChiSquare = 5.9791e-07 1.H53 ND1 = 254.349(A), Expected = 190.74, Std = 22.8400, ChiSquare = 5.3531e-03 1.H53 NE2 = 159.766(A), Expected = 179.81, Std = 13.8600, ChiSquare = 1.4813e-01 1.Y63 HB3 = 0.520(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.0508e-10 1.G67 HA2 = 1.662(S), Expected = 3.95, Std = 0.4000, ChiSquare = 1.0652e-08 1.W77 Typing: Suspicious 1.W77 CZ2 = 119.941(A), Expected = 114.19, Std = 1.0900, ChiSquare = 1.3193e-07 1.I82 HD11 = -0.626(S), Expected = 0.70, Std = 0.3000, ChiSquare = 9.8701e-06 1.I82 HD12 = -0.626(S), Expected = 0.70, Std = 0.3000, ChiSquare = 9.8701e-06 1.I82 HD13 = -0.626(S), Expected = 0.70, Std = 0.3000, ChiSquare = 9.8701e-06 1.A84 HA = 2.475(S), Expected = 4.26, Std = 0.4200, ChiSquare = 2.1377e-05 1.P85 HA = 2.480(S), Expected = 4.41, Std = 0.3600, ChiSquare = 8.2712e-08 1.A110 HB1 = -0.089(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.2030e-09 1.A110 HB2 = -0.089(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.2030e-09 1.A110 HB3 = -0.089(S), Expected = 1.38, Std = 0.2500, ChiSquare = 4.2030e-09 1.E144 HG2 = 1.305(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.7038e-06 1.I154 HG12 = -0.690(S), Expected = 1.30, Std = 0.4000, ChiSquare = 6.5248e-07 1.I154 HG21 = -0.372(S), Expected = 0.80, Std = 0.2900, ChiSquare = 5.3138e-05 1.I154 HG22 = -0.372(S), Expected = 0.80, Std = 0.2900, ChiSquare = 5.3138e-05 1.I154 HG23 = -0.372(S), Expected = 0.80, Std = 0.2900, ChiSquare = 5.3138e-05 1.I154 HD11 = -0.466(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.0163e-04 1.I154 HD12 = -0.466(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.0163e-04 1.I154 HD13 = -0.466(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.0163e-04