Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.45 C 0.36 A 0.17 C Shift Assignments>> C :: 176.809 CA :: 55.240 CB :: 32.920 CG :: 32.090 CE :: 17.160 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.640 HB2 :: 2.243 HB3 :: 2.090 HG2 :: 2.634 HG3 :: 2.558 HE1 :: 2.134 HE2 :: 2.134 HE3 :: 2.134 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) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.03 C Shift Assignments>> C :: 179.512 CA :: 57.230 CB :: 41.500 CG :: 26.760 CD1 :: 23.090 CD2 :: 24.870 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 :: 8.858 HA :: 4.010 HB2 :: 1.679 HB3 :: 1.551 HG :: 1.510 HD11 :: 0.317 HD12 :: 0.317 HD13 :: 0.317 HD21 :: 0.512 HD22 :: 0.512 HD23 :: 0.512 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 :: 124.589 Ave N Shift Values>> N :: 121.98(4.07) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.31 E 0.27 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.189 CA :: 59.930 CB :: 28.810 CG :: 36.600 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 :: 9.299 HA :: 4.234 HB2 :: 2.065 HB3 :: 2.065 HG2 :: 2.434 HG3 :: 2.304 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 :: 118.833 Ave N Shift Values>> N :: 120.68(3.68) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.19 C 0.17 D 0.16 L 0.1 N 0.07 K 0.04 I 0.03 C Shift Assignments>> C :: 176.722 CA :: 56.240 CB :: 39.910 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 :: 8.188 HA :: 4.524 HB2 :: 2.768 HB3 :: 2.552 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.286 Ave N Shift Values>> N :: 120.73(4.2) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.48 C Shift Assignments>> C :: 172.456 CA :: 58.770 CB :: 37.820 CD1 :: 133.832 CE1 :: 117.923 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 :: 8.336 HA :: 4.284 HB2 :: 3.580 HB3 :: 2.799 HD1 :: 6.341 HD2 :: 6.341 HE1 :: 6.629 HE2 :: 6.629 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 :: 119.641 Ave N Shift Values>> N :: 120.79(4.69) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.12 C 0.02 C Shift Assignments>> C :: 178.122 CA :: 51.440 CB :: 19.600 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.748 HA :: 3.470 HB1 :: 1.193 HB2 :: 1.193 HB3 :: 1.193 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.727 Ave N Shift Values>> N :: 123.23(3.7) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 C Shift Assignments>> C :: 174.386 CA :: 58.640 CB :: 39.820 CG1 :: 27.280 CG2 :: 16.400 CD1 :: 12.160 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 :: 8.665 HA :: 4.303 HB :: 1.374 HG12 :: 1.190 HG13 :: 1.139 HG21 :: 0.513 HG22 :: 0.513 HG23 :: 0.513 HD11 :: 0.639 HD12 :: 0.639 HD13 :: 0.639 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.318 Ave N Shift Values>> N :: 121.6(4.72) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.268 CA :: 57.157 CB :: 64.390 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.884 HA :: 4.881 HB2 :: 4.080 HB3 :: 3.882 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 :: 122.739 Ave N Shift Values>> N :: 116.3(3.95) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.36 L 0.15 K 0.08 G 0.01 C Shift Assignments>> C :: 175.322 CA :: 57.190 CB :: 42.290 CG :: 27.160 CD1 :: 24.070 CD2 :: 28.290 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 :: 8.077 HA :: 3.652 HB2 :: 1.694 HB3 :: 1.256 HG :: 0.909 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 HD21 :: 1.115 HD22 :: 1.115 HD23 :: 1.115 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 :: 126.321 Ave N Shift Values>> N :: 121.98(4.07) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.16 K 0.07 M 0.02 Q 0.02 C Shift Assignments>> C :: 176.452 CA :: 58.470 CB :: 29.480 CG :: 36.560 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 :: 8.361 HA :: 3.754 HB2 :: 2.026 HB3 :: 2.026 HG2 :: 2.312 HG3 :: 2.312 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 :: 112.911 Ave N Shift Values>> N :: 120.68(3.68) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.27 E 0.26 Q 0.02 K 0.01 C Shift Assignments>> C :: 176.539 CA :: 55.240 CB :: 32.160 CG :: 36.120 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 :: 7.284 HA :: 4.531 HB2 :: 1.989 HB3 :: 1.924 HG2 :: 2.285 HG3 :: 2.069 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.276 Ave N Shift Values>> N :: 120.68(3.68) 1.V12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 173.900 CA :: 62.510 CB :: 31.920 CG1 :: 19.460 CG2 :: 23.220 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 :: 7.077 HA :: 3.677 HB :: 1.455 HG11 :: -0.187(S) HG12 :: -0.187(S) HG13 :: -0.187(S) HG21 :: 0.005 HG22 :: 0.005 HG23 :: 0.005 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.932 Ave N Shift Values>> N :: 121.02(4.96) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.16 D 0.15 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 176.876 CA :: 52.168 CB :: 38.500 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.996 HA :: 4.840 HB2 :: 3.225 HB3 :: 2.799 HD21 :: 7.586 HD22 :: 7.095 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 :: 121.232 ND2 :: 111.600 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.26 Y 0.16 C Shift Assignments>> C :: 176.423 CA :: 62.520 CB :: 38.780 CD1 :: 129.987 CE1 :: 129.987 CZ :: 129.046 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 :: 6.268 HA :: 3.868 HB2 :: 3.019 HB3 :: 2.365 HD1 :: 5.807 HD2 :: 5.807 HE1 :: 5.944 HE2 :: 5.944 HZ :: 5.178 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.637 Ave N Shift Values>> N :: 120.69(4.18) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 N 0.21 Y 0.17 F 0.13 D 0.1 E 0.06 L 0.02 I 0.02 M 0.01 HN Overlap>> 1.T105 1.T105 C Shift Assignments>> C :: 175.738 CA :: 55.240 CB :: 38.270 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 :: 8.184 HA :: 4.602 HB2 :: 2.902 HB3 :: 2.821 HD21 :: 7.943 HD22 :: 7.292 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 :: 113.599 ND2 :: 115.000 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.19 K 0.14 C 0.11 F 0.1 Y 0.08 N 0.07 R 0.03 C Shift Assignments>> C :: 174.589 CA :: 54.860 CB :: 41.140 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 :: 7.680 HA :: 4.450 HB2 :: 2.499 HB3 :: 2.241 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 :: 117.808 Ave N Shift Values>> N :: 120.73(4.2) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 Y 0.25 C 0.24 F 0.22 C Shift Assignments>> C :: 175.516 CA :: 56.790 CB :: 44.090 CD1 :: 132.941 CE1 :: 131.145 CZ :: 129.592 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.648 HA :: 4.788 HB2 :: 2.889 HB3 :: 2.463 HD1 :: 6.836 HD2 :: 6.836 HE1 :: 6.808 HE2 :: 6.808 HZ :: 6.815 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 :: 116.207 Ave N Shift Values>> N :: 120.69(4.18) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 HN Overlap>> 1.D104 1.D104 C Shift Assignments>> C :: 175.612 CA :: 60.930 CB :: 37.620 CG1 :: 27.260 CG2 :: 17.530 CD1 :: 12.360 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 :: 8.674 HA :: 4.335 HB :: 1.974 HG12 :: 1.470 HG13 :: 1.301 HG21 :: 0.854 HG22 :: 0.854 HG23 :: 0.854 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.498 Ave N Shift Values>> N :: 121.6(4.72) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 175.622 CA :: 62.974 CB :: 32.770 CG1 :: 22.480 CG2 :: 23.330 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 :: 9.009 HA :: 4.760 HB :: 1.931 HG11 :: 0.969 HG12 :: 0.969 HG13 :: 0.969 HG21 :: 1.061 HG22 :: 1.061 HG23 :: 1.061 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 :: 129.378 Ave N Shift Values>> N :: 121.02(4.96) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 172.234 CA :: 60.660 CB :: 33.910 CG1 :: 21.300 CG2 :: 22.530 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 :: 9.606 HA :: 4.581 HB :: 1.840 HG11 :: 0.506 HG12 :: 0.506 HG13 :: 0.506 HG21 :: 0.400 HG22 :: 0.400 HG23 :: 0.400 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 :: 131.965 Ave N Shift Values>> N :: 121.02(4.96) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.17 C 0.13 D 0.12 R 0.08 N 0.02 K 0.01 F 0.01 C Shift Assignments>> C :: 176.182 CA :: 50.850 CB :: 43.460 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 :: 8.367 HA :: 4.105 HB2 :: 2.498 HB3 :: 2.214 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 :: 129.516 Ave N Shift Values>> N :: 120.73(4.2) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.32 A 0.01 C Shift Assignments>> C :: 178.006 CA :: 58.990 CB :: 30.150 CG1 :: 21.230 CG2 :: 19.410 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 :: 8.095 HA :: 5.720 HB :: 2.424 HG11 :: 0.864 HG12 :: 0.864 HG13 :: 0.864 HG21 :: 0.600 HG22 :: 0.600 HG23 :: 0.600 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 :: 114.833 Ave N Shift Values>> N :: 121.02(4.96) 1.R23 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.41 C 0.35 K 0.15 G 0.07 C Shift Assignments>> C :: 172.157 CA :: 56.190 CB :: 31.230 CG :: 27.660 CD :: 43.450 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 :: 7.467 HA :: 4.358 HB2 :: 2.051 HB3 :: 1.938 HG2 :: 1.923 HG3 :: 1.574 HD2 :: 2.800 HD3 :: 2.800 HE :: 9.749(S) HH11 :: 8.199(S) HH21 :: 11.352(A) 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 :: 120.418 NE :: 82.053 NH1 :: 76.066 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.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.27 M 0.23 K 0.01 Q 0.01 C Shift Assignments>> C :: 178.807 CA :: 53.870 CB :: 31.610 CG :: 36.590 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 :: 7.372 HA :: 4.454 HB2 :: 2.395 HB3 :: 2.204 HG2 :: 2.512 HG3 :: 2.311 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 :: 111.001 Ave N Shift Values>> N :: 120.68(3.68) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.38 R 0.08 G 0.01 C Shift Assignments>> C :: 177.591 CA :: 58.800 CB :: 42.000 CG :: 26.780 CD1 :: 23.630 CD2 :: 25.650 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 :: 8.842 HA :: 3.922 HB2 :: 1.775 HB3 :: 1.471 HG :: 1.531 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 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 :: 122.468 Ave N Shift Values>> N :: 121.98(4.07) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.21 C 0.18 D 0.13 L 0.07 N 0.06 I 0.04 K 0.02 E 0.01 C Shift Assignments>> C :: 178.739 CA :: 56.540 CB :: 39.570 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 :: 8.671 HA :: 4.389 HB2 :: 2.729 HB3 :: 2.641 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 :: 114.189 Ave N Shift Values>> N :: 120.73(4.2) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.28 E 0.16 M 0.01 C Shift Assignments>> C :: 177.678 CA :: 58.830 CB :: 30.650 CG :: 38.860 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 :: 7.235 HA :: 4.304 HB2 :: 2.482 HB3 :: 2.386 HG2 :: 2.364 HG3 :: 2.272 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 :: 120.618 Ave N Shift Values>> N :: 120.68(3.68) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 177.108 CA :: 60.600 CB :: 39.300 CD1 :: 134.389 CD2 :: 134.389 CE1 :: 116.957 CE2 :: 116.957 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 :: 7.703 HA :: 4.149 HB2 :: 3.076 HB3 :: 2.765 HD1 :: 7.373 HD2 :: 6.696 HE1 :: 6.390 HE2 :: 6.059 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.871 Ave N Shift Values>> N :: 120.79(4.69) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.31 I 0.25 K 0.02 M 0.02 C Shift Assignments>> C :: 177.456 CA :: 58.770 CB :: 29.880 CG :: 37.660 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 :: 8.727 HA :: 3.823 HB2 :: 2.055 HB3 :: 1.994 HG2 :: 2.725 HG3 :: 2.325 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 :: 116.326 Ave N Shift Values>> N :: 120.68(3.68) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.23 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.012 CA :: 59.750 CB :: 29.310 CG :: 36.270 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 :: 7.225 HA :: 4.219 HB2 :: 2.375 HB3 :: 2.214 HG2 :: 2.651 HG3 :: 2.314 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 :: 119.394 Ave N Shift Values>> N :: 120.68(3.68) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.3 L 0.24 K 0.05 G 0.04 C Shift Assignments>> C :: 173.363 CA :: 55.760 CB :: 42.880 CG :: 28.170 CD1 :: 24.640 CD2 :: 27.230 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 :: 7.512 HA :: 5.102 HB2 :: 1.793 HB3 :: 0.931 HG :: 1.030 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 HD21 :: 0.428 HD22 :: 0.428 HD23 :: 0.428 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 :: 118.039 Ave N Shift Values>> N :: 121.98(4.07) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 C 0.44 C Shift Assignments>> C :: 171.973 CA :: 54.660 CB :: 31.500 CD2 :: 121.751 CE1 :: 135.301 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 :: 8.196 HA :: 4.433 HB2 :: 2.877 HB3 :: 2.779 HD2 :: 6.880 HE1 :: 8.481 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 :: 114.425 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.66 C 0.2 R 0.07 G 0.04 A 0.01 C Shift Assignments>> CA :: 53.423 CB :: 42.750 CG :: 26.910 CD1 :: 25.590 CD2 :: 24.270 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 10.099 HA :: 4.745 HB2 :: 1.544 HB3 :: 1.407 HG :: 1.274 HD11 :: -0.132(S) HD12 :: -0.132(S) HD13 :: -0.132(S) HD21 :: 0.460 HD22 :: 0.460 HD23 :: 0.460 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 :: 124.819 Ave N Shift Values>> N :: 121.98(4.07) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 177.012 CA :: 64.440 CB :: 31.660 CG :: 27.600 CD :: 51.250 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 :: 2.250 HB3 :: 1.943 HG2 :: 2.106 HG3 :: 1.826 HD2 :: 4.032 HD3 :: 3.734 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.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.22 Y 0.09 D 0.08 F 0.05 E 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 174.801 CA :: 53.470 CB :: 37.650 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 :: 8.736 HA :: 4.701 HB2 :: 3.066 HB3 :: 2.974 HD21 :: 7.786 HD22 :: 6.849 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 :: 113.231 ND2 :: 113.800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.42 L 0.24 M 0.19 C 0.1 K 0.01 C Shift Assignments>> C :: 177.494 CA :: 52.700 CB :: 21.760 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.434 HA :: 4.523 HB1 :: 1.535 HB2 :: 1.535 HB3 :: 1.535 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.419 Ave N Shift Values>> N :: 123.23(3.7) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 172.359 CA :: 63.020 CB :: 69.800 CG2 :: 20.080 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.334 HA :: 4.184 HB :: 3.535 HG1 :: 6.581 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 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 :: 121.183 Ave N Shift Values>> N :: 115.7(5.05) 1.L38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.51 C 0.26 A 0.15 R 0.05 G 0.01 C Shift Assignments>> C :: 176.529 CA :: 53.873 CB :: 41.830 CG :: 26.680 CD1 :: 22.270 CD2 :: 25.740 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 :: 8.306 HA :: 4.815 HB2 :: 1.237 HB3 :: 0.125(S) HG :: 0.864 HD11 :: 0.405 HD12 :: 0.405 HD13 :: 0.405 HD21 :: 0.217 HD22 :: 0.217 HD23 :: 0.217 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 :: 130.981 Ave N Shift Values>> N :: 121.98(4.07) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 172.186 CA :: 62.040 CB :: 40.360 CG1 :: 27.520 CG2 :: 17.510 CD1 :: 13.840 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 :: 8.612 HA :: 3.779 HB :: 1.357 HG12 :: 1.001 HG13 :: 0.595 HG21 :: 0.639 HG22 :: 0.639 HG23 :: 0.639 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 :: 131.100 Ave N Shift Values>> N :: 121.6(4.72) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.629 CA :: 58.810 CB :: 63.090 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.123 HA :: 3.904 HB2 :: 4.013 HB3 :: 3.596 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 :: 118.068 Ave N Shift Values>> N :: 116.3(3.95) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 A 0.01 C Shift Assignments>> C :: 174.714 CA :: 58.990 CB :: 31.730 CG1 :: 19.920 CG2 :: 22.690 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 :: 7.739 HA :: 3.913 HB :: 2.131 HG11 :: 1.012 HG12 :: 1.012 HG13 :: 1.012 HG21 :: 1.081 HG22 :: 1.081 HG23 :: 1.081 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 :: 124.290 Ave N Shift Values>> N :: 121.02(4.96) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.2 Y 0.15 D 0.15 F 0.12 L 0.04 E 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 175.699 CA :: 54.860 CB :: 38.610 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 :: 8.344 HA :: 4.630 HB2 :: 2.857 HB3 :: 2.697 HD21 :: 7.610 HD22 :: 6.932 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 :: 116.715 ND2 :: 115.700 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.25 C 0.13 L 0.05 Y 0.05 F 0.05 C Shift Assignments>> C :: 175.699 CA :: 52.300 CB :: 39.540 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 :: 8.417 HA :: 5.021 HB2 :: 3.045 HB3 :: 2.505 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 :: 125.038 Ave N Shift Values>> N :: 120.73(4.2) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.18 E 0.18 Q 0.18 I 0.08 R 0.02 M 0.01 HN Overlap>> 1.K57 1.K57 C Shift Assignments>> C :: 178.430 CA :: 59.650 CB :: 28.760 CG :: 34.540 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 :: 7.762 HA :: 3.815 HB2 :: 2.048 HB3 :: 2.048 HG2 :: 2.531 HG3 :: 2.321 HE21 :: 7.722 HE22 :: 6.696 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 :: 119.490 NE2 :: 110.931 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.3 E 0.28 K 0.05 C Shift Assignments>> C :: 178.739 CA :: 59.660 CB :: 28.900 CG :: 36.770 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 :: 8.705 HA :: 4.059 HB2 :: 2.072 HB3 :: 2.072 HG2 :: 2.354 HG3 :: 2.321 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 :: 119.373 Ave N Shift Values>> N :: 120.68(3.68) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.23 M 0.01 G 0.01 C Shift Assignments>> C :: 179.579 CA :: 58.940 CB :: 32.750 CG :: 25.560 CD :: 29.610 CE :: 42.190 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.545 HA :: 4.119 HB2 :: 1.846 HB3 :: 1.725 HG2 :: 1.559 HG3 :: 1.349 HD2 :: 1.701 HD3 :: 1.701 HE2 :: 2.991 HE3 :: 2.991 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.645 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.42 R 0.08 K 0.01 C Shift Assignments>> C :: 177.436 CA :: 58.090 CB :: 41.150 CG :: 27.420 CD1 :: 23.960 CD2 :: 25.920 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 :: 8.005 HA :: 4.059 HB2 :: 1.906 HB3 :: 1.462 HG :: 1.754 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 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 :: 122.201 Ave N Shift Values>> N :: 121.98(4.07) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.32 I 0.04 C 0.03 HN Overlap>> 1.M100 1.M100 C Shift Assignments>> C :: 179.347 CA :: 55.420 CB :: 18.240 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.239 HA :: 3.733 HB1 :: 1.503 HB2 :: 1.503 HB3 :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.483 Ave N Shift Values>> N :: 123.23(3.7) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 F 0.18 Y 0.14 L 0.14 C 0.13 D 0.08 R 0.05 I 0.03 N 0.01 C Shift Assignments>> C :: 179.106 CA :: 57.350 CB :: 41.250 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 :: 8.001 HA :: 4.308 HB2 :: 2.819 HB3 :: 2.683 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 :: 117.231 Ave N Shift Values>> N :: 120.73(4.2) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.33 C 0.21 C Shift Assignments>> C :: 179.048 CA :: 62.590 CB :: 39.810 CD1 :: 131.481 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 :: 8.265 HA :: 4.101 HB2 :: 3.163 HB3 :: 3.163 HD1 :: 7.034 HD2 :: 7.034 HE1 :: 6.848 HE2 :: 6.848 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 :: 122.379 Ave N Shift Values>> N :: 120.69(4.18) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 L 0.28 C Shift Assignments>> C :: 180.400 CA :: 58.140 CB :: 38.770 CG :: 26.970 CD1 :: 26.300 CD2 :: 24.200 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 :: 8.653 HA :: 3.789 HB2 :: 1.087 HB3 :: 0.841 HG :: 1.896 HD11 :: 0.658 HD12 :: 0.658 HD13 :: 0.658 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 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 :: 120.277 Ave N Shift Values>> N :: 121.98(4.07) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.220 CA :: 61.840 CB :: 62.850 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.332 HA :: 4.160 HB2 :: 4.212 HB3 :: 4.212 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.630 Ave N Shift Values>> N :: 116.3(3.95) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.25 C 0.25 E 0.09 R 0.08 M 0.04 C Shift Assignments>> C :: 176.046 CA :: 56.560 CB :: 28.580 CG :: 33.620 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 :: 7.405 HA :: 4.092 HB2 :: 1.718 HB3 :: 1.625 HG2 :: 2.267 HG3 :: 2.126 HE21 :: 7.163 HE22 :: 6.751 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 :: 119.056 NE2 :: 112.500 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.16 R 0.14 K 0.13 C 0.13 E 0.13 M 0.06 L 0.01 I 0.01 C Shift Assignments>> C :: 175.467 CA :: 55.562 CB :: 29.650 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.311 HA :: 4.754 HB2 :: 3.147 HB3 :: 2.233 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 :: 117.800 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.03 G 0.01 C Shift Assignments>> C :: 176.741 CA :: 58.710 CB :: 32.370 CG :: 24.870 CD :: 29.470 CE :: 42.120 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.646 HA :: 4.296 HB2 :: 1.996 HB3 :: 1.949 HG2 :: 1.633 HG3 :: 1.580 HD2 :: 1.839 HD3 :: 1.839 HE2 :: 3.110 HE3 :: 3.110 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 :: 119.903 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.21 C 0.12 L 0.12 F 0.09 Y 0.08 K 0.03 C Shift Assignments>> C :: 175.158 CA :: 53.930 CB :: 40.220 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 :: 8.853 HA :: 4.655 HB2 :: 2.826 HB3 :: 2.741 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 :: 116.429 Ave N Shift Values>> N :: 120.73(4.2) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.38 R 0.15 G 0.02 M 0.01 HN Overlap>> 1.Q44 1.Q44 C Shift Assignments>> C :: 175.236 CA :: 53.830 CB :: 35.550 CG :: 24.640 CD :: 28.880 CE :: 42.320 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.655 HA :: 4.701 HB2 :: 1.913 HB3 :: 1.693 HG2 :: 1.484 HG3 :: 1.417 HD2 :: 1.718 HD3 :: 1.625 HE2 :: 3.009 HE3 :: 3.009 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 :: 119.510 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.19 M 0.02 C Shift Assignments>> C :: 175.651 CA :: 56.870 CB :: 33.250 CG :: 25.340 CD :: 29.420 CE :: 41.790 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.265 HA :: 4.745 HB2 :: 1.676 HB3 :: 1.676 HG2 :: 1.619 HG3 :: 1.502 HD2 :: 1.364 HD3 :: 1.299 HE2 :: 2.602 HE3 :: 2.602 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.091 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.38 M 0.06 K 0.01 C Shift Assignments>> C :: 173.556 CA :: 60.930 CB :: 34.300 CG1 :: 21.590 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 :: 9.233 HA :: 5.231 HB :: 2.020 HG11 :: 1.034 HG12 :: 1.034 HG13 :: 1.034 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 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 :: 127.047 Ave N Shift Values>> N :: 121.02(4.96) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.17 L 0.11 A 0.01 R 0.01 C Shift Assignments>> C :: 173.421 CA :: 52.586 CB :: 45.660 CG :: 26.540 CD1 :: 23.940 CD2 :: 27.190 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 :: 9.228 HA :: 4.815 HB2 :: 1.457 HB3 :: 0.743 HG :: 1.141 HD11 :: 0.141 HD12 :: 0.141 HD13 :: 0.141 HD21 :: 0.325 HD22 :: 0.325 HD23 :: 0.325 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 :: 129.197 Ave N Shift Values>> N :: 121.98(4.07) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.18 G 0.1 R 0.1 A 0.01 C Shift Assignments>> C :: 176.683 CA :: 52.760 CB :: 43.220 CG :: 27.330 CD1 :: 26.200 CD2 :: 24.000 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 :: 9.055 HA :: 5.713 HB2 :: 2.067 HB3 :: 1.354 HG :: 2.131 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 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 :: 125.903 Ave N Shift Values>> N :: 121.98(4.07) 1.H62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 H 0.04 F 0.03 C Shift Assignments>> C :: 172.301 CA :: 54.580 CB :: 33.980 CD2 :: 127.913 CE1 :: 138.827 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 :: 9.148 HA :: 5.440 HB2 :: 3.896 HB3 :: 2.626 HD1 :: 11.844 HD2 :: 6.417 HE1 :: 7.164 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 :: 119.183 ND1 :: 199.783 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.16 K 0.15 E 0.14 R 0.13 C 0.13 M 0.05 I 0.02 L 0.01 C Shift Assignments>> C :: 177.649 CA :: 56.460 CB :: 29.400 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.389 HA :: 5.021 HB2 :: 2.864 HB3 :: 2.695 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.896 Ave N Shift Values>> N :: 119.95(4.79) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 G 0.1 K 0.07 C Shift Assignments>> C :: 174.724 CA :: 59.000 CB :: 30.820 CG :: 27.280 CD :: 43.620 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 :: 8.658 HA :: 4.425 HB2 :: 2.303 HB3 :: 1.914 HG2 :: 1.928 HG3 :: 1.757 HD2 :: 3.571 HD3 :: 3.484 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 :: 130.651 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.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.16 C 0.04 L 0.02 C Shift Assignments>> C :: 177.909 CA :: 52.020 CB :: 20.270 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.166 HA :: 5.399 HB1 :: 1.641 HB2 :: 1.641 HB3 :: 1.641 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.548 Ave N Shift Values>> N :: 123.23(3.7) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 176.761 CA :: 46.630 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.300 HA2 :: 4.872 HA3 :: 4.450 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.644 Ave N Shift Values>> N :: 109.91(4.29) 1.R67 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.41 C 0.38 G 0.11 K 0.07 C Shift Assignments>> C :: 178.691 CA :: 60.930 CB :: 31.240 CG :: 27.350 CD :: 43.320 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 :: 8.118 HA :: 4.141 HB2 :: 2.073 HB3 :: 2.026 HG2 :: 1.742 HG3 :: 1.742 HD2 :: 3.336 HD3 :: 3.262 HE :: 7.567 HH11 :: 8.538(S) HH21 :: 9.268(A) 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 :: 121.922 NE :: 80.004 NH1 :: 87.074 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.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.37 G 0.17 K 0.05 C Shift Assignments>> C :: 178.681 CA :: 59.410 CB :: 30.760 CG :: 28.250 CD :: 43.990 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 :: 9.366 HA :: 4.282 HB2 :: 2.368 HB3 :: 1.606 HG2 :: 2.119 HG3 :: 1.817 HD2 :: 3.468 HD3 :: 3.119 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 :: 123.821 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.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.21 I 0.08 C 0.03 C Shift Assignments>> C :: 178.334 CA :: 55.960 CB :: 17.730 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.112 HA :: 3.800 HB1 :: 1.541 HB2 :: 1.541 HB3 :: 1.541 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.465 Ave N Shift Values>> N :: 123.23(3.7) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.43 R 0.03 C Shift Assignments>> C :: 177.996 CA :: 57.950 CB :: 40.720 CG :: 27.140 CD1 :: 22.480 CD2 :: 25.440 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 :: 7.746 HA :: 3.340 HB2 :: 1.748 HB3 :: 1.249 HG :: 1.193 HD11 :: 0.368 HD12 :: 0.368 HD13 :: 0.368 HD21 :: 0.757 HD22 :: 0.757 HD23 :: 0.757 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 :: 118.427 Ave N Shift Values>> N :: 121.98(4.07) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 C 0.17 L 0.08 K 0.08 I 0.07 D 0.07 N 0.01 R 0.01 C Shift Assignments>> C :: 179.560 CA :: 57.880 CB :: 40.340 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 :: 7.662 HA :: 4.236 HB2 :: 2.796 HB3 :: 2.624 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 :: 120.180 Ave N Shift Values>> N :: 120.73(4.2) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 C 0.03 I 0.02 C Shift Assignments>> C :: 179.203 CA :: 54.670 CB :: 18.490 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.796 HA :: 4.101 HB1 :: 1.460 HB2 :: 1.460 HB3 :: 1.460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.299 Ave N Shift Values>> N :: 123.23(3.7) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.21 I 0.08 C 0.03 HN Overlap>> 1.N89 1.N89 C Shift Assignments>> C :: 179.251 CA :: 55.950 CB :: 17.660 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.672 HA :: 3.758 HB1 :: 1.345 HB2 :: 1.345 HB3 :: 1.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.294 Ave N Shift Values>> N :: 123.23(3.7) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.16 M 0.01 G 0.01 C Shift Assignments>> C :: 179.589 CA :: 60.620 CB :: 32.330 CG :: 25.180 CD :: 29.710 CE :: 41.980 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 :: 8.914 HA :: 3.790 HB2 :: 1.959 HB3 :: 1.818 HG2 :: 1.463 HG3 :: 1.335 HD2 :: 1.629 HD3 :: 1.629 HE2 :: 2.870 HE3 :: 2.870 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 :: 119.404 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.944 CA :: 61.840 CB :: 62.990 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.874 HA :: 4.272 HB2 :: 4.020 HB3 :: 3.929 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 :: 114.306 Ave N Shift Values>> N :: 116.3(3.95) 1.M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.23 A 0.07 HN Overlap>> 1.Y91 1.Y91 C Shift Assignments>> C :: 179.811 CA :: 56.060 CB :: 34.780 CG :: 34.230 CE :: 21.920 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 :: 8.401 HA :: 4.881 HB2 :: 2.202 HB3 :: 1.551 HG2 :: 2.748 HG3 :: 2.613 HE1 :: 2.106 HE2 :: 2.106 HE3 :: 2.106 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 :: 119.510 Ave N Shift Values>> N :: 120.1(3.88) 1.H77 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 H 0.45 C Shift Assignments>> C :: 181.596(A) CA :: 59.550 CB :: 30.720 CD2 :: 116.957 CE1 :: 135.343 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 :: 9.450 HA :: 5.148 HB2 :: 3.187 HB3 :: 2.988 HD2 :: 7.216 HE1 :: 5.296(S) 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 :: 123.245 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.21 K 0.06 M 0.02 Q 0.01 C Shift Assignments>> C :: 177.909 CA :: 59.110 CB :: 29.380 CG :: 36.560 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 :: 7.832 HA :: 4.159 HB2 :: 2.275 HB3 :: 2.173 HG2 :: 2.551 HG3 :: 2.384 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 :: 121.124 Ave N Shift Values>> N :: 120.68(3.68) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.27 A 0.1 G 0.1 R 0.07 C Shift Assignments>> C :: 176.934 CA :: 54.820 CB :: 43.300 CG :: 26.480 CD1 :: 22.150 CD2 :: 25.540 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 :: 7.161 HA :: 4.360 HB2 :: 2.168 HB3 :: 1.787 HG :: 2.009 HD11 :: 0.942 HD12 :: 0.942 HD13 :: 0.942 HD21 :: 1.133 HD22 :: 1.133 HD23 :: 1.133 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 :: 116.655 Ave N Shift Values>> N :: 121.98(4.07) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 174.116 CA :: 45.010 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.545 HA2 :: 4.101 HA3 :: 3.580 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.216 Ave N Shift Values>> N :: 109.91(4.29) 1.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 174.377 CA :: 56.960 CB :: 40.310 CD1 :: 132.740 CE1 :: 117.881 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 :: 7.519 HA :: 4.727 HB2 :: 3.169 HB3 :: 2.176 HD1 :: 7.120 HD2 :: 7.120 HE1 :: 6.680 HE2 :: 6.680 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 :: 119.660 Ave N Shift Values>> N :: 120.79(4.69) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.41 A 0.31 C 0.25 S 0.01 C Shift Assignments>> CA :: 57.030 CB :: 68.740 CG2 :: 20.050 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 :: 8.786 HA :: 3.390 HB :: 4.152 HG21 :: 0.701 HG22 :: 0.701 HG23 :: 0.701 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.368 Ave N Shift Values>> N :: 115.7(5.05) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.21 C Shift Assignments>> C :: 175.699 CA :: 63.140 CB :: 31.570 CG :: 27.600 CD :: 49.110 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 :: 5.003 HB2 :: 2.257 HB3 :: 1.987 HG2 :: 2.016 HG3 :: 1.683 HD2 :: 3.090 HD3 :: 2.961 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.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.48 C Shift Assignments>> C :: 175.506 CA :: 57.570 CB :: 40.500 CD1 :: 134.596 CE1 :: 117.596 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.497 HA :: 5.482 HB2 :: 2.964 HB3 :: 2.964 HD1 :: 7.557 HD2 :: 7.557 HE1 :: 6.953 HE2 :: 6.953 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 :: 119.880 Ave N Shift Values>> N :: 120.79(4.69) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 172.215 CA :: 55.240 CB :: 40.830 CE1 :: 117.998 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 :: 8.570 HA :: 5.730 HB2 :: 2.708 HB3 :: 2.708 HE1 :: 6.728 HE2 :: 6.728 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.764 Ave N Shift Values>> N :: 120.79(4.69) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 C 0.25 R 0.16 L 0.16 A 0.01 C Shift Assignments>> C :: 177.552 CA :: 53.376 CB :: 44.360 CG :: 27.060 CD1 :: 24.190 CD2 :: 27.990 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 :: 8.196 HA :: 4.881 HB2 :: 2.294 HB3 :: 1.063 HG :: 1.320 HD11 :: 0.476 HD12 :: 0.476 HD13 :: 0.476 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.589 Ave N Shift Values>> N :: 121.98(4.07) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.38 M 0.08 K 0.07 I 0.03 Q 0.02 C Shift Assignments>> C :: 174.965 CA :: 55.405 CB :: 30.010 CG :: 36.630 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 :: 9.146 HA :: 4.797 HB2 :: 2.042 HB3 :: 1.977 HG2 :: 2.244 HG3 :: 2.244 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 :: 128.779 Ave N Shift Values>> N :: 120.68(3.68) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 170.593 CA :: 44.970 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.349 HA2 :: 4.110 HA3 :: 4.023 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.564 Ave N Shift Values>> N :: 109.91(4.29) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.23 L 0.14 C 0.11 K 0.05 F 0.04 Y 0.04 R 0.01 HN Overlap>> 1.A73 1.A73 C Shift Assignments>> C :: 176.336 CA :: 52.210 CB :: 40.950 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 :: 8.756 HA :: 5.722 HB2 :: 2.988 HB3 :: 2.786 HD21 :: 7.681 HD22 :: 6.901 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 :: 121.363 ND2 :: 111.700 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.44 C Shift Assignments>> C :: 175.660 CA :: 58.930 CB :: 30.860 CG1 :: 20.990 CG2 :: 20.710 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 :: 8.928 HA :: 4.425 HB :: 1.914 HG11 :: 0.565 HG12 :: 0.565 HG13 :: 0.565 HG21 :: 0.186 HG22 :: 0.186 HG23 :: 0.186 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 :: 128.990 Ave N Shift Values>> N :: 121.02(4.96) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.49 HN Overlap>> 1.M76 1.M76 C Shift Assignments>> C :: 175.718 CA :: 61.700 CB :: 36.580 CD1 :: 133.496 CE1 :: 117.881 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 :: 8.330 HA :: 4.016 HB2 :: 3.219 HB3 :: 2.723 HD1 :: 7.405 HD2 :: 7.405 HE1 :: 6.775 HE2 :: 6.775 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 :: 119.510 Ave N Shift Values>> N :: 120.79(4.69) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.17 D 0.17 K 0.12 C 0.1 F 0.05 Y 0.03 N 0.02 G 0.02 C Shift Assignments>> C :: 177.224 CA :: 54.290 CB :: 42.670 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 :: 8.654 HA :: 5.146 HB2 :: 3.294 HB3 :: 3.233 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 :: 117.541 Ave N Shift Values>> N :: 120.73(4.2) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 F 0.3 Y 0.24 C Shift Assignments>> C :: 179.270 CA :: 60.340 CB :: 36.010 CD1 :: 130.599 CE1 :: 130.734 CZ :: 128.786 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.673 HA :: 4.688 HB2 :: 3.627 HB3 :: 3.286 HD1 :: 7.106 HD2 :: 7.106 HE1 :: 6.281 HE2 :: 6.281 HZ :: 6.319 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 :: 123.205 Ave N Shift Values>> N :: 120.69(4.18) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.21 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 180.805 CA :: 59.240 CB :: 29.640 CG :: 36.670 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 :: 9.164 HA :: 4.676 HB2 :: 2.154 HB3 :: 2.154 HG2 :: 2.429 HG3 :: 2.429 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 :: 118.657 Ave N Shift Values>> N :: 120.68(3.68) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.35 R 0.23 M 0.03 G 0.01 C Shift Assignments>> C :: 177.948 CA :: 58.680 CB :: 31.690 CG :: 25.160 CD :: 29.800 CE :: 42.320 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 :: 8.005 HA :: 4.103 HB2 :: 2.056 HB3 :: 1.927 HG2 :: 1.463 HG3 :: 1.356 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 2.982 HE3 :: 2.982 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 :: 121.494 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 174.550 CA :: 59.370 CB :: 38.340 CD1 :: 133.631 CE1 :: 117.562 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 :: 7.710 HA :: 4.332 HB2 :: 3.584 HB3 :: 2.946 HD1 :: 7.498 HD2 :: 7.498 HE1 :: 6.851 HE2 :: 6.851 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.421 Ave N Shift Values>> N :: 120.79(4.69) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.662 CA :: 45.160 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.796 HA2 :: 3.966 HA3 :: 3.580 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.806 Ave N Shift Values>> N :: 109.91(4.29) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 C 0.32 F 0.28 C Shift Assignments>> C :: 173.353 CA :: 57.490 CB :: 38.550 CD1 :: 132.455 CE1 :: 131.986 CZ :: 130.180 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.323 HA :: 4.644 HB2 :: 3.006 HB3 :: 2.647 HD1 :: 7.507 HD2 :: 7.507 HE1 :: 7.427 HE2 :: 7.427 HZ :: 7.569 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.718 Ave N Shift Values>> N :: 120.69(4.18) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.35 K 0.12 G 0.08 C Shift Assignments>> C :: 175.680 CA :: 56.320 CB :: 30.610 CG :: 27.720 CD :: 43.490 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 :: 7.903 HA :: 4.283 HB2 :: 1.817 HB3 :: 1.782 HG2 :: 1.737 HG3 :: 1.567 HD2 :: 3.330 HD3 :: 3.233 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.817 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.M100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 A 0.35 C 0.24 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 175.255 CA :: 52.343 CB :: 34.410 CG :: 31.950 CE :: 16.780 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 :: 8.133 HA :: 4.843 HB2 :: 1.608 HB3 :: 0.976 HG2 :: 2.718 HG3 :: 2.650 HE1 :: 1.393 HE2 :: 1.393 HE3 :: 1.393 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 :: 121.483 Ave N Shift Values>> N :: 120.1(3.88) 1.V101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.351 CA :: 61.500 CB :: 31.730 CG1 :: 21.150 CG2 :: 20.400 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 :: 8.471 HA :: 3.890 HB :: 0.456(S) HG11 :: 0.626 HG12 :: 0.626 HG13 :: 0.626 HG21 :: 0.601 HG22 :: 0.601 HG23 :: 0.601 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 :: 119.940 Ave N Shift Values>> N :: 121.02(4.96) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 175.892 CA :: 57.140 CB :: 40.990 CD1 :: 133.748 CE1 :: 118.115 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 :: 8.612 HA :: 4.938 HB2 :: 3.156 HB3 :: 2.697 HD1 :: 7.215 HD2 :: 7.215 HE1 :: 6.781 HE2 :: 6.781 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.390 Ave N Shift Values>> N :: 120.79(4.69) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 C 0.14 F 0.13 L 0.13 N 0.13 Y 0.12 K 0.05 I 0.01 C Shift Assignments>> C :: 176.220 CA :: 55.050 CB :: 40.220 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 :: 8.071 HA :: 4.621 HB2 :: 2.928 HB3 :: 2.826 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 :: 120.738 Ave N Shift Values>> N :: 120.73(4.2) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.17 N 0.14 C 0.11 K 0.09 F 0.06 Y 0.05 R 0.02 HN Overlap>> 1.I18 1.I18 C Shift Assignments>> C :: 176.095 CA :: 53.510 CB :: 41.060 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 :: 8.642 HA :: 4.730 HB2 :: 2.794 HB3 :: 2.495 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.582 Ave N Shift Values>> N :: 120.73(4.2) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.N15 1.N15 C Shift Assignments>> C :: 173.508 CA :: 61.580 CB :: 69.840 CG2 :: 21.800 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 :: 8.119 HA :: 4.389 HB :: 4.293 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.632 Ave N Shift Values>> N :: 115.7(5.05) 1.C106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.013 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 129.098 Ave N Shift Values>> N :: 119.95(4.79) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.25 L 0.18 K 0.12 C 0.11 F 0.1 Y 0.08 N 0.08 R 0.02 C Shift Assignments>> C :: 176.075 CA :: 54.790 CB :: 40.990 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>> HA :: 4.606 HB2 :: 2.715 HB3 :: 2.644 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.2 M 0.03 G 0.01 C Shift Assignments>> C :: 176.490 CA :: 56.140 CB :: 32.910 CG :: 24.710 CD :: 28.940 CE :: 42.250 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 :: 8.216 HA :: 4.326 HB2 :: 1.872 HB3 :: 1.772 HG2 :: 1.460 HG3 :: 1.420 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 3.000 HE3 :: 3.000 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 :: 121.982 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.21 M 0.02 G 0.01 C Shift Assignments>> C :: 175.583 CA :: 56.150 CB :: 33.050 CG :: 24.260 CD :: 28.510 CE :: 42.250 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 :: 8.411 HA :: 4.344 HB2 :: 1.875 HB3 :: 1.778 HG2 :: 1.438 HG3 :: 1.438 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 3.013 HE3 :: 3.013 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 :: 122.966 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.16 C 0.12 N 0.11 F 0.1 Y 0.09 K 0.09 R 0.01 C Shift Assignments>> CA :: 54.710 CB :: 40.710 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 :: 8.075 HA :: 4.493 HB2 :: 2.807 HB3 :: 2.807 HD21 :: 7.696 HD22 :: 6.975 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 :: 124.927 ND2 :: 113.400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 103 #Clerical: 0 #Suspicious: 4 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 109 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 0 C Shift Results: #Consistent: 478 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 781 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 2 N Shift Results: #Consistent: 119 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V12 HG11 = -0.187(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.4255e-04 1.V12 HG12 = -0.187(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.4255e-04 1.V12 HG13 = -0.187(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.4255e-04 1.R23 HE = 9.749(S), Expected = 7.32, Std = 0.5200, ChiSquare = 2.9951e-06 1.R23 HH11 = 8.199(S), Expected = 6.74, Std = 0.3100, ChiSquare = 2.5207e-06 1.R23 HH21 = 11.352(A), Expected = 6.72, Std = 0.3200, ChiSquare = 1.7433e-47 1.L33 HD11 = -0.132(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.3555e-04 1.L33 HD12 = -0.132(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.3555e-04 1.L33 HD13 = -0.132(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.3555e-04 1.L38 HB3 = 0.125(S), Expected = 1.57, Std = 0.3600, ChiSquare = 5.9726e-05 1.R67 HH11 = 8.538(S), Expected = 6.74, Std = 0.3100, ChiSquare = 6.6315e-09 1.R67 HH21 = 9.268(A), Expected = 6.72, Std = 0.3200, ChiSquare = 1.6860e-15 1.H77 C = 181.596(A), Expected = 175.19, Std = 2.1400, ChiSquare = 2.7584e-03 1.H77 HE1 = 5.296(S), Expected = 8.08, Std = 0.5700, ChiSquare = 1.0384e-06 1.V101 HB = 0.456(S), Expected = 1.99, Std = 0.3300, ChiSquare = 3.3438e-06