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 0.48 I 0.38 A 0.13 C Shift Assignments>> CE :: 16.769 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>> HE1 :: 2.055 HE2 :: 2.055 HE3 :: 2.055 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.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.67 R 0.26 M 0.04 G 0.01 C Shift Assignments>> C :: 174.354 CA :: 55.950 CB :: 33.203 CG :: 24.632 CD :: 28.807 CE :: 41.990 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.230 HB2 :: 1.520 HB3 :: 1.585 HG2 :: 1.068 HG3 :: 1.150 HD2 :: 1.552 HD3 :: 1.552 HE2 :: 2.795 HE3 :: 2.823 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) 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 :: 175.416 CA :: 61.005 CB :: 33.197 CG1 :: 21.572 CG2 :: 19.849 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 :: 7.800 HA :: 4.081 HB :: 1.728 HG11 :: 0.703 HG12 :: 0.703 HG13 :: 0.703 HG21 :: 0.450 HG22 :: 0.450 HG23 :: 0.450 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 :: 122.282 Ave N Shift Values>> N :: 121.02(4.96) 1.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.57 Y 0.42 C Shift Assignments>> C :: 173.670 CA :: 57.707 CB :: 39.447 CD1 :: 131.827 CD2 :: 131.827 CE1 :: 131.166 CE2 :: 131.166 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 :: 9.503 HA :: 4.519 HB2 :: 2.784 HB3 :: 2.911 HD1 :: 7.157 HD2 :: 7.157 HE1 :: 7.234 HE2 :: 7.234 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) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.22 M 0.05 G 0.02 A 0.01 HN Overlap>> 1.R113 1.R113 C Shift Assignments>> C :: 175.559 CA :: 54.274 CB :: 35.644 CG :: 24.243 CD :: 29.425 CE :: 41.982 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 :: 8.159 HA :: 4.996 HB2 :: 1.684 HB3 :: 1.569 HG2 :: 1.316 HG3 :: 1.255 HD2 :: 1.587 HD3 :: 1.587 HE2 :: 2.927 HE3 :: 2.927 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 :: 123.063 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.21 G 0.11 C Shift Assignments>> C :: 175.420 CA :: 56.009 CB :: 31.012 CG :: 27.512 CD :: 43.421 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 :: 8.640 HA :: 4.275 HB2 :: 1.923 HB3 :: 1.627 HG2 :: 1.567 HG3 :: 1.604 HD2 :: 3.166 HD3 :: 3.080 HE :: 7.325 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 :: 125.078 NE :: 84.954 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.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.637 CA :: 61.797 CB :: 32.856 CG1 :: 21.143 CG2 :: 20.525 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 :: 8.450 HA :: 4.121 HB :: 2.054 HG11 :: 0.967 HG12 :: 0.967 HG13 :: 0.967 HG21 :: 0.941 HG22 :: 0.941 HG23 :: 0.941 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 :: 126.046 Ave N Shift Values>> N :: 121.02(4.96) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.27 C Shift Assignments>> C :: 178.318 CA :: 53.121 CB :: 18.802 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.569 HA :: 4.212 HB1 :: 1.412 HB2 :: 1.412 HB3 :: 1.412 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.819 Ave N Shift Values>> N :: 123.23(3.7) 1.G9 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 :: 174.188 CA :: 45.214 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.510 HA2 :: 4.069 HA3 :: 3.849 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.195 Ave N Shift Values>> N :: 109.91(4.29) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.240 CA :: 60.835 CB :: 38.224 CG1 :: 27.107 CG2 :: 17.486 CD1 :: 12.540 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 :: 7.737 HA :: 4.226 HB :: 1.955 HG12 :: 1.460 HG13 :: 1.208 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.568 Ave N Shift Values>> N :: 121.6(4.72) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.28 M 0.05 G 0.01 C Shift Assignments>> C :: 175.706 CA :: 56.012 CB :: 32.871 CG :: 24.710 CD :: 28.961 CE :: 41.999 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 :: 8.599 HA :: 4.407 HB2 :: 1.875 HB3 :: 1.771 HG2 :: 1.402 HG3 :: 1.455 HD2 :: 1.683 HD3 :: 1.683 HE2 :: 3.002 HE3 :: 3.002 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 :: 125.588 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.14 N 0.09 R 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 176.360 CA :: 53.644 CB :: 41.696 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 :: 7.787 HA :: 4.644 HB2 :: 2.700 HB3 :: 2.796 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 :: 121.048 Ave N Shift Values>> N :: 120.73(4.2) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 M 0.02 G 0.01 C Shift Assignments>> C :: 178.548 CA :: 59.070 CB :: 32.171 CG :: 25.035 CD :: 28.938 CE :: 41.974 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 :: 8.666 HA :: 3.999 HB2 :: 1.879 HB3 :: 1.879 HG2 :: 1.582 HG3 :: 1.492 HD2 :: 1.704 HD3 :: 1.704 HE2 :: 3.005 HE3 :: 3.005 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.458 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.45 I 0.02 C Shift Assignments>> C :: 180.052 CA :: 54.683 CB :: 18.108 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.340 HA :: 4.174 HB1 :: 1.491 HB2 :: 1.491 HB3 :: 1.491 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.168 Ave N Shift Values>> N :: 123.23(3.7) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.48 I 0.02 C Shift Assignments>> C :: 180.879 CA :: 54.549 CB :: 18.283 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.857 HA :: 4.197 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 :: 121.538 Ave N Shift Values>> N :: 123.23(3.7) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.013 CA :: 62.247 CB :: 36.690 CG1 :: 28.184 CG2 :: 17.801 CD1 :: 11.536 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 :: 7.843 HA :: 3.877 HB :: 2.045 HG12 :: 1.513 HG13 :: 1.342 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 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 :: 118.781 Ave N Shift Values>> N :: 121.6(4.72) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.34 M 0.02 G 0.01 HN Overlap>> 1.K102 1.K47 1.K102 1.K47 C Shift Assignments>> C :: 179.228 CA :: 59.741 CB :: 31.638 CG :: 25.035 CD :: 28.912 CE :: 41.993 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 :: 7.922 HA :: 3.908 HB2 :: 1.967 HB3 :: 1.967 HG2 :: 1.479 HG3 :: 1.573 HD2 :: 1.707 HD3 :: 1.707 HE2 :: 2.998 HE3 :: 2.998 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.874 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.065 CA :: 66.161 CB :: 68.677 CG2 :: 22.134 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 :: 7.888 HA :: 3.917 HB :: 4.288 HG21 :: 1.334 HG22 :: 1.334 HG23 :: 1.334 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 :: 115.317 Ave N Shift Values>> N :: 115.7(5.05) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.15 G 0.01 K 0.01 C Shift Assignments>> C :: 177.764 CA :: 58.649 CB :: 41.966 CG :: 26.872 CD1 :: 25.966 CD2 :: 24.696 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 :: 7.506 HA :: 3.806 HB2 :: 1.851 HB3 :: 1.610 HG :: 1.635 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.666 HD22 :: 0.666 HD23 :: 0.666 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 :: 124.555 Ave N Shift Values>> N :: 121.98(4.07) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I82 1.I82 C Shift Assignments>> C :: 176.796 CA :: 66.167 CB :: 37.910 CG1 :: 30.052 CG2 :: 18.346 CD1 :: 13.870 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 :: 8.205 HA :: 2.971 HB :: 1.619 HG12 :: 1.420 HG13 :: 0.223 HG21 :: 0.628 HG22 :: 0.628 HG23 :: 0.628 HD11 :: 0.643 HD12 :: 0.643 HD13 :: 0.643 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.053 Ave N Shift Values>> N :: 121.6(4.72) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.713 CA :: 62.413 CB :: 62.725 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.887 HA :: 4.236 HB2 :: 3.902 HB3 :: 3.902 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 :: 112.930 Ave N Shift Values>> N :: 116.3(3.95) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.34 I 0.03 C Shift Assignments>> C :: 180.588 CA :: 54.722 CB :: 17.048 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.594 HA :: 3.759 HB1 :: 0.844 HB2 :: 0.844 HB3 :: 0.844 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.668 Ave N Shift Values>> N :: 123.23(3.7) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.33 I 0.04 C Shift Assignments>> C :: 178.686 CA :: 55.171 CB :: 17.628 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.317 HA :: 3.778 HB1 :: 1.387 HB2 :: 1.387 HB3 :: 1.387 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.438 Ave N Shift Values>> N :: 123.23(3.7) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.94 H 0.05 C Shift Assignments>> C :: 178.672 CA :: 59.119 CB :: 36.342 CD1 :: 130.540 CD2 :: 130.540 CE1 :: 118.589 CE2 :: 118.589 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 :: 8.347 HA :: 4.585 HB2 :: 3.452 HB3 :: 3.360 HD1 :: 7.034 HD2 :: 7.034 HE1 :: 6.455 HE2 :: 6.455 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 :: 117.388 Ave N Shift Values>> N :: 120.79(4.69) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.17 G 0.13 C Shift Assignments>> C :: 178.727 CA :: 59.880 CB :: 30.050 CG :: 28.483 CD :: 43.249 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 :: 8.094 HA :: 3.722 HB2 :: 1.767 HB3 :: 1.676 HG2 :: 1.770 HG3 :: 1.294 HD2 :: 3.243 HD3 :: 3.068 HE :: 7.404 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.901 NE :: 83.790 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.Q26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.66 K 0.28 L 0.03 M 0.01 C Shift Assignments>> C :: 175.513 CA :: 57.145 CB :: 26.911 CG :: 29.756(S) 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 :: 7.784 HA :: 4.001 HB2 :: 1.582 HB3 :: 2.114 HG2 :: 2.069 HG3 :: 2.123 HE21 :: 5.521(S) HE22 :: 7.399 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 :: 119.279 NE2 :: 107.186 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 M 0.01 C Shift Assignments>> C :: 173.149 CA :: 60.435 CB :: 35.699 CG1 :: 27.523 CG2 :: 18.420 CD1 :: 9.627 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 :: 7.821 HA :: 2.996 HB :: 1.386 HG12 :: 1.453 HG13 :: 0.695 HG21 :: -0.144 HG22 :: -0.144 HG23 :: -0.144 HD11 :: -0.234 HD12 :: -0.234 HD13 :: -0.234 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 :: 115.135 Ave N Shift Values>> N :: 121.6(4.72) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.130 CA :: 57.012 CB :: 39.162 CD1 :: 131.288 CD2 :: 131.288 CE1 :: 130.965 CE2 :: 130.965 CZ :: 129.477 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 :: 8.137 HA :: 4.770 HB2 :: 3.378 HB3 :: 3.132 HD1 :: 7.349 HD2 :: 7.349 HE1 :: 7.150 HE2 :: 7.150 HZ :: 7.481 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 :: 108.966 Ave N Shift Values>> N :: 120.69(4.18) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 I 0.29 E 0.15 Q 0.06 M 0.04 R 0.01 V 0.01 C Shift Assignments>> C :: 174.600 CA :: 57.707 CB :: 25.672 CG :: 36.038 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 :: 7.095 HA :: 4.215 HB2 :: 2.579 HB3 :: 2.355 HG2 :: 2.138 HG3 :: 1.864 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 :: 110.168 Ave N Shift Values>> N :: 120.68(3.68) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 K 0.29 G 0.18 C Shift Assignments>> C :: 172.767 CA :: 54.242 CB :: 31.490 CG :: 25.220 CD :: 43.469 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 :: 7.583 HA :: 4.549 HB2 :: 1.788 HB3 :: 2.044 HG2 :: 1.165 HG3 :: 1.466 HD2 :: 3.109 HD3 :: 3.032 HE :: 7.234 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 :: 113.998 NE :: 84.967 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.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.18 N 0.17 F 0.09 K 0.08 Y 0.08 R 0.01 HN Overlap>> 1.R137 1.R137 C Shift Assignments>> C :: 176.327 CA :: 53.931 CB :: 40.729 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 :: 8.271 HA :: 4.809 HB2 :: 2.657 HB3 :: 2.467 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 :: 117.488 Ave N Shift Values>> N :: 120.73(4.2) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.940 CA :: 59.667 CB :: 38.134 CG1 :: 26.127 CG2 :: 17.171 CD1 :: 11.527 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 :: 7.276 HA :: 4.001 HB :: 1.336 HG12 :: 0.836 HG13 :: 0.694 HG21 :: 0.493 HG22 :: 0.493 HG23 :: 0.493 HD11 :: 0.035 HD12 :: 0.035 HD13 :: 0.035 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.378 Ave N Shift Values>> N :: 121.6(4.72) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.15 C Shift Assignments>> C :: 176.240 CA :: 51.117 CB :: 17.808 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.208 HA :: 4.445 HB1 :: 1.344 HB2 :: 1.344 HB3 :: 1.344 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.021 Ave N Shift Values>> N :: 123.23(3.7) 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 :: 178.106 CA :: 65.224 CB :: 31.625 CG :: 27.548 CD :: 50.454 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 :: 4.411 HB2 :: 2.323 HB3 :: 2.323 HG2 :: 2.130 HG3 :: 2.065 HD2 :: 3.935 HD3 :: 3.744 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.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 H 0.01 C Shift Assignments>> C :: 176.989 CA :: 59.284 CB :: 37.038 CD1 :: 133.107 CD2 :: 133.107 CE1 :: 118.333 CE2 :: 118.333 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 :: 8.035 HA :: 4.425 HB2 :: 3.156 HB3 :: 3.037 HD1 :: 7.099 HD2 :: 7.099 HE1 :: 6.807 HE2 :: 6.807 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 :: 113.930 Ave N Shift Values>> N :: 120.79(4.69) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.525 CA :: 62.445 CB :: 37.534 CG1 :: 27.365 CG2 :: 17.349 CD1 :: 12.146 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 :: 7.073 HA :: 3.839 HB :: 1.811 HG12 :: 1.191 HG13 :: 0.976 HG21 :: 0.732 HG22 :: 0.732 HG23 :: 0.732 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 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 :: 121.004 Ave N Shift Values>> N :: 121.6(4.72) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.43 I 0.02 C Shift Assignments>> C :: 179.182 CA :: 54.866 CB :: 18.277 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.000 HA :: 3.989 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.261 Ave N Shift Values>> N :: 123.23(3.7) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.34 R 0.14 E 0.11 M 0.03 I 0.02 C Shift Assignments>> C :: 177.060 CA :: 57.699 CB :: 28.097 CG :: 33.614 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 :: 8.326 HA :: 4.110 HB2 :: 2.116 HB3 :: 2.116 HG2 :: 2.492 HG3 :: 2.432 HE21 :: 6.889 HE22 :: 7.504 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 :: 115.228 NE2 :: 111.940 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 D 0.23 Y 0.19 F 0.17 L 0.08 E 0.02 I 0.02 C Shift Assignments>> C :: 176.660 CA :: 55.077 CB :: 39.158 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 :: 7.730 HA :: 4.562 HB2 :: 2.812 HB3 :: 2.812 HD21 :: 6.883 HD22 :: 7.626 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 :: 116.728 ND2 :: 112.969 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.52 K 0.16 I 0.12 Q 0.09 M 0.08 C Shift Assignments>> C :: 177.880 CA :: 57.767 CB :: 29.738 CG :: 36.060 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 :: 8.181 HA :: 4.204 HB2 :: 1.295(S) HB3 :: 1.295 HG2 :: 1.781 HG3 :: 1.882 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 :: 116.708 Ave N Shift Values>> N :: 120.68(3.68) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.46 C Shift Assignments>> C :: 177.180 CA :: 56.673 CB :: 40.427 CD1 :: 131.796 CD2 :: 131.796 CE1 :: 130.555 CE2 :: 130.555 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 :: 8.166 HA :: 5.305 HB2 :: 3.930 HB3 :: 3.281 HD1 :: 7.142 HD2 :: 7.142 HE1 :: 7.022 HE2 :: 7.022 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.701 Ave N Shift Values>> N :: 120.69(4.18) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.472 CA :: 62.441 CB :: 62.499 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.913 HA :: 4.163 HB2 :: 4.071 HB3 :: 4.028 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.667 Ave N Shift Values>> N :: 116.3(3.95) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 HN Overlap>> 1.T54 1.T54 C Shift Assignments>> C :: 175.890 CA :: 46.697 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.849 HA2 :: 4.006 HA3 :: 3.935 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.348 Ave N Shift Values>> N :: 109.91(4.29) 1.W44 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>> C :: 178.350 CA :: 59.756 CB :: 30.550 CD1 :: 126.814 CE3 :: 120.270 CZ2 :: 115.233 CZ3 :: 122.155 CH2 :: 125.096 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 :: 7.691 HA :: 4.663 HB2 :: 3.556 HB3 :: 3.713 HD1 :: 7.111 HE1 :: 10.134 HE3 :: 7.672 HZ2 :: 7.760 HZ3 :: 7.106 HH2 :: 7.296 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 :: 124.443 NE1 :: 127.716 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.47 I 0.41 K 0.05 M 0.03 Q 0.01 C Shift Assignments>> C :: 180.460 CA :: 60.235 CB :: 30.050 CG :: 36.643 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 :: 9.112 HA :: 3.877 HB2 :: 2.079 HB3 :: 2.317 HG2 :: 3.056(S) HG3 :: 2.322 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 :: 116.705 Ave N Shift Values>> N :: 120.68(3.68) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.699 CA :: 61.450 CB :: 62.558 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.180 HA :: 4.245 HB2 :: 4.075 HB3 :: 4.027 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 :: 115.321 Ave N Shift Values>> N :: 116.3(3.95) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.39 M 0.01 G 0.01 HN Overlap>> 1.K17 1.K102 1.K17 1.K102 C Shift Assignments>> C :: 179.170 CA :: 59.916 CB :: 32.890 CG :: 25.977 CD :: 29.714 CE :: 41.993 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 :: 7.920 HA :: 4.162 HB2 :: 1.924 HB3 :: 1.620 HG2 :: 1.484 HG3 :: 1.774 HD2 :: 1.555 HD3 :: 1.504 HE2 :: 2.843 HE3 :: 2.843 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 :: 120.863 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.04 C Shift Assignments>> C :: 180.690 CA :: 57.850 CB :: 41.484 CG :: 26.516 CD1 :: 23.308 CD2 :: 24.810 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 :: 7.841 HA :: 4.106 HB2 :: 1.564 HB3 :: 1.090 HG :: 1.155 HD11 :: 0.630 HD12 :: 0.630 HD13 :: 0.630 HD21 :: -0.063 HD22 :: -0.063 HD23 :: -0.063 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 :: 120.271 Ave N Shift Values>> N :: 121.98(4.07) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.660 CA :: 47.328 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.563 HA2 :: 4.041 HA3 :: 3.712 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.418 Ave N Shift Values>> N :: 109.91(4.29) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.25 Y 0.07 F 0.06 L 0.05 C Shift Assignments>> C :: 176.120 CA :: 52.679 CB :: 39.141 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 :: 7.967 HA :: 4.872 HB2 :: 3.025 HB3 :: 2.874 HD21 :: 7.125 HD22 :: 7.633 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.748 ND2 :: 113.912 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 174.600 CA :: 45.961 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.979 HA2 :: 3.945 HA3 :: 4.105 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.288 Ave N Shift Values>> N :: 109.91(4.29) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.16 I 0.16 K 0.02 C Shift Assignments>> C :: 176.240 CA :: 57.769 CB :: 31.240 CG :: 37.281 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.417 HA :: 4.128 HB2 :: 2.161 HB3 :: 1.962 HG2 :: 2.306 HG3 :: 2.199 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 :: 118.483 Ave N Shift Values>> N :: 120.68(3.68) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 A 0.16 G 0.04 C Shift Assignments>> C :: 174.830 CA :: 58.157 CB :: 41.675 CG1 :: 23.230 CG2 :: 17.495 CD1 :: 14.233 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 :: 7.029 HA :: 4.925 HB :: 2.210 HG12 :: 1.251 HG13 :: 0.463 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 0.667 HD12 :: 0.667 HD13 :: 0.667 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 :: 108.171 Ave N Shift Values>> N :: 121.6(4.72) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.G43 1.G43 C Shift Assignments>> C :: 175.650 CA :: 59.863 CB :: 71.348 CG2 :: 21.887 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 :: 8.785 HA :: 4.581 HB :: 5.049 HG1 :: 4.745 HG21 :: 1.325 HG22 :: 1.325 HG23 :: 1.325 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.353 Ave N Shift Values>> N :: 115.7(5.05) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.290 CA :: 67.446 CB :: 30.877 CG1 :: 21.570 CG2 :: 24.428 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 :: 8.837 HA :: 3.456 HB :: 2.342 HG11 :: 0.712 HG12 :: 0.712 HG13 :: 0.712 HG21 :: 1.074 HG22 :: 1.074 HG23 :: 1.074 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 :: 121.478 Ave N Shift Values>> N :: 121.02(4.96) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.2 M 0.04 G 0.02 C Shift Assignments>> C :: 178.110 CA :: 60.207 CB :: 32.886 CG :: 24.201 CD :: 29.607 CE :: 42.157 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 :: 8.116 HA :: 3.970 HB2 :: 1.803 HB3 :: 2.403 HG2 :: 1.343 HG3 :: 1.073 HD2 :: 1.677 HD3 :: 1.550 HE2 :: 2.872 HE3 :: 2.707 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 :: 121.103 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 E 0.4 M 0.03 C Shift Assignments>> C :: 179.640 CA :: 59.150 CB :: 30.718 CG :: 38.439 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 :: 7.776 HA :: 3.971 HB2 :: 2.069 HB3 :: 2.453 HG2 :: 2.452 HG3 :: 2.326 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 :: 117.578 Ave N Shift Values>> N :: 120.68(3.68) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 Y 0.42 C Shift Assignments>> C :: 176.470 CA :: 61.229 CB :: 39.788 CD1 :: 131.861 CD2 :: 131.861 CE1 :: 130.698 CE2 :: 130.698 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 :: 8.584 HA :: 4.140 HB2 :: 2.916 HB3 :: 3.536 HD1 :: 6.789 HD2 :: 6.789 HE1 :: 6.900 HE2 :: 6.900 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 :: 122.748 Ave N Shift Values>> N :: 120.69(4.18) 1.I59 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 :: 177.760 CA :: 62.006 CB :: 35.074 CG1 :: 26.601 CG2 :: 17.961 CD1 :: 10.283 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 :: 8.922 HA :: 3.380 HB :: 2.548 HG12 :: 2.056 HG13 :: 1.434 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.888 Ave N Shift Values>> N :: 121.6(4.72) 1.E60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.48 I 0.28 K 0.12 Q 0.06 M 0.03 C Shift Assignments>> C :: 176.710 CA :: 59.636 CB :: 29.467 CG :: 36.011 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 :: 3.049 HB2 :: 1.706 HB3 :: 1.907 HG2 :: 1.625 HG3 :: 1.534(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.258 Ave N Shift Values>> N :: 120.68(3.68) 1.G61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 177.010 CA :: 46.381 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.653 HA2 :: 3.099 HA3 :: 2.477(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.958 Ave N Shift Values>> N :: 109.91(4.29) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.05 C Shift Assignments>> C :: 181.280 CA :: 58.019 CB :: 40.286 CG :: 25.595 CD1 :: 24.534 CD2 :: 21.589 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 :: 7.793 HA :: 3.904 HB2 :: 1.166 HB3 :: 1.925 HG :: 1.506 HD11 :: 0.404 HD12 :: 0.404 HD13 :: 0.404 HD21 :: 0.100 HD22 :: 0.100 HD23 :: 0.100 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.688 Ave N Shift Values>> N :: 121.98(4.07) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 171.900 CA :: 47.342 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.899 HA2 :: 3.263 HA3 :: 3.019 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.770 Ave N Shift Values>> N :: 109.91(4.29) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.95 H 0.04 C Shift Assignments>> C :: 176.820 CA :: 54.183 CB :: 37.428 CD1 :: 130.236 CD2 :: 130.236 CE1 :: 120.103 CE2 :: 120.103 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 :: 7.252 HA :: 4.747 HB2 :: 3.339 HB3 :: 2.958 HD1 :: 6.810 HD2 :: 6.810 HE1 :: 6.783 HE2 :: 6.783 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.326 Ave N Shift Values>> N :: 120.79(4.69) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 174.360 CA :: 59.152 CB :: 65.859 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.582 HA :: 4.377 HB2 :: 4.696 HB3 :: 4.548 HG :: 6.608 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 :: 115.638 Ave N Shift Values>> N :: 116.3(3.95) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 E 0.19 F 0.19 N 0.11 I 0.06 D 0.06 M 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 178.617 CA :: 56.413 CB :: 37.762 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.736 HA :: 4.586 HB2 :: 2.842 HB3 :: 3.033 HD21 :: 7.022 HD22 :: 7.892 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 :: 122.298 ND2 :: 113.375 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 C Shift Assignments>> C :: 178.000 CA :: 58.478 CB :: 41.284 CG :: 26.918 CD1 :: 23.538 CD2 :: 24.941 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 :: 8.810 HA :: 4.138 HB2 :: 1.551 HB3 :: 1.810 HG :: 1.430 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.115 HD22 :: 0.115 HD23 :: 0.115 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 :: 121.312 Ave N Shift Values>> N :: 121.98(4.07) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 F 0.09 Y 0.08 HN Overlap>> 1.R101 1.R101 C Shift Assignments>> C :: 177.838 CA :: 64.142 CB :: 38.650 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 :: 8.460 HA :: 4.056 HB2 :: 3.394 HB3 :: 3.515 HD1 :: 6.680 HD2 :: 6.680 HE1 :: 6.554 HE2 :: 6.554 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 :: 119.368 Ave N Shift Values>> N :: 120.79(4.69) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 R 0.31 K 0.03 G 0.01 HN Overlap>> 1.Y125 1.Y125 C Shift Assignments>> C :: 179.640 CA :: 58.467 CB :: 41.769 CG :: 28.306 CD1 :: 25.345 CD2 :: 25.309 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 :: 8.051 HA :: 4.326 HB2 :: 2.099 HB3 :: 2.099 HG :: 2.076 HD11 :: 1.105 HD12 :: 1.105 HD13 :: 1.105 HD21 :: 1.067 HD22 :: 1.067 HD23 :: 1.067 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.276 Ave N Shift Values>> N :: 121.98(4.07) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.21 M 0.04 G 0.01 C Shift Assignments>> C :: 177.838 CA :: 59.182 CB :: 32.884 CG :: 24.610 CD :: 29.447 CE :: 41.961 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 :: 8.546 HA :: 4.089 HB2 :: 2.009 HB3 :: 1.923 HG2 :: 1.524 HG3 :: 1.469 HD2 :: 1.674 HD3 :: 1.674 HE2 :: 2.964 HE3 :: 2.964 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.690 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.61 M 0.23 I 0.11 K 0.02 Q 0.01 C Shift Assignments>> C :: 178.110 CA :: 58.019 CB :: 31.621 CG :: 36.694 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 :: 7.847 HA :: 4.030 HB2 :: 1.116(S) HB3 :: 1.539 HG2 :: 1.873 HG3 :: 2.223 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 :: 114.118 Ave N Shift Values>> N :: 120.68(3.68) 1.F72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.250 CA :: 57.788 CB :: 38.967 CD1 :: 133.002 CD2 :: 133.002 CE1 :: 131.820 CE2 :: 131.820 CZ :: 129.908 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 :: 8.641 HA :: 5.119 HB2 :: 3.418 HB3 :: 1.648(S) HD1 :: 6.120 HD2 :: 6.120 HE1 :: 7.496 HE2 :: 7.496 HZ :: 7.228 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 :: 112.328 Ave N Shift Values>> N :: 120.69(4.18) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.I100 1.I100 C Shift Assignments>> C :: 173.890 CA :: 58.754 CB :: 40.414 CD1 :: 133.198 CD2 :: 133.198 CE1 :: 118.306 CE2 :: 118.306 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 :: 7.532 HA :: 5.488 HB2 :: 3.136 HB3 :: 3.844 HD1 :: 7.358 HD2 :: 7.358 HE1 :: 6.980 HE2 :: 6.980 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 :: 117.698 Ave N Shift Values>> N :: 120.79(4.69) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 S 0.15 A 0.01 C Shift Assignments>> C :: 173.810 CA :: 58.449 CB :: 67.594 CG2 :: 22.362 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 :: 8.724 HA :: 4.767 HB :: 4.239 HG1 :: 3.527 HG21 :: 1.198 HG22 :: 1.198 HG23 :: 1.198 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 :: 116.998 Ave N Shift Values>> N :: 115.7(5.05) 1.P75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.892 CA :: 64.426 CB :: 31.310 CG :: 27.551 CD :: 50.678 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 :: 4.232 HB2 :: 0.212(S) HB3 :: 1.863 HG2 :: 1.539 HG3 :: 1.378 HD2 :: 3.854 HD3 :: 2.696 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.Y76 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 :: 172.491 CA :: 55.978 CB :: 41.805 CD1 :: 132.431 CD2 :: 132.431 CE1 :: 118.663 CE2 :: 118.663 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 :: 7.299 HA :: 5.149 HB2 :: 2.476 HB3 :: 3.146 HD1 :: 6.889 HD2 :: 6.889 HE1 :: 7.093 HE2 :: 7.093 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 :: 114.216 Ave N Shift Values>> N :: 120.79(4.69) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.968 CA :: 61.594 CB :: 32.262 CG :: 27.516 CD :: 50.488 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 :: 4.735 HB2 :: 2.494 HB3 :: 2.210 HG2 :: 2.252 HG3 :: 2.052 HD2 :: 4.083 HD3 :: 3.811 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.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 Y 0.26 F 0.15 I 0.07 N 0.07 M 0.06 D 0.03 K 0.02 C Shift Assignments>> C :: 177.060 CA :: 56.752 CB :: 37.284 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.017 HA :: 4.188 HB2 :: 2.991 HB3 :: 2.854 HD21 :: 6.943 HD22 :: 7.874 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 :: 120.988 ND2 :: 108.566 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.650 CA :: 67.114 CB :: 67.917 CG2 :: 22.332 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 :: 8.608 HA :: 3.753 HB :: 4.151 HG21 :: 1.281 HG22 :: 1.281 HG23 :: 1.281 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.248 Ave N Shift Values>> N :: 115.7(5.05) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.36 M 0.02 C Shift Assignments>> C :: 177.880 CA :: 57.374 CB :: 32.249 CG :: 24.703 CD :: 28.172 CE :: 41.685 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 :: 6.900 HA :: 4.324 HB2 :: 1.858 HB3 :: 1.966 HG2 :: 1.287 HG3 :: 1.287 HD2 :: 1.582 HD3 :: 1.655 HE2 :: 2.692 HE3 :: 2.692 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 :: 120.999 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.940 CA :: 67.426 CB :: 31.807 CG1 :: 22.185 CG2 :: 24.694 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 :: 8.138 HA :: 3.598 HB :: 2.510 HG11 :: 1.327 HG12 :: 1.327 HG13 :: 1.327 HG21 :: 1.468 HG22 :: 1.468 HG23 :: 1.468 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 :: 120.209 Ave N Shift Values>> N :: 121.02(4.96) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I20 1.I20 C Shift Assignments>> C :: 177.158 CA :: 64.418 CB :: 37.910 CG1 :: 29.320 CG2 :: 18.120 CD1 :: 14.038 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 :: 8.206 HA :: 3.998 HB :: 2.028 HG12 :: 0.354 HG13 :: 1.500 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.094 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 0.53 I 0.26 K 0.09 M 0.05 Q 0.03 C Shift Assignments>> C :: 179.400 CA :: 59.269 CB :: 29.895 CG :: 36.342 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 :: 8.014 HA :: 3.957 HB2 :: 2.057 HB3 :: 2.269 HG2 :: 2.535 HG3 :: 2.127 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 :: 120.152 Ave N Shift Values>> N :: 120.68(3.68) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 R 0.23 G 0.03 A 0.01 C Shift Assignments>> C :: 178.410 CA :: 57.194 CB :: 42.439 CG :: 26.912 CD1 :: 26.485 CD2 :: 22.971 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 :: 8.697 HA :: 3.664 HB2 :: 2.103 HB3 :: 0.836 HG :: 1.659 HD11 :: 0.631 HD12 :: 0.631 HD13 :: 0.631 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.092 Ave N Shift Values>> N :: 121.98(4.07) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.650 CA :: 46.840 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.644 HA2 :: 4.061 HA3 :: 3.948 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.964 Ave N Shift Values>> N :: 109.91(4.29) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 178.460 CA :: 66.799 CB :: 67.240 CG2 :: 20.605 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 :: 9.245 HA :: 4.137 HB :: 3.882 HG1 :: 4.788 HG21 :: 1.216 HG22 :: 1.216 HG23 :: 1.216 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 :: 115.250 Ave N Shift Values>> N :: 115.7(5.05) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.27 M 0.05 G 0.02 C Shift Assignments>> C :: 179.290 CA :: 60.434 CB :: 32.707 CG :: 24.727 CD :: 30.373 CE :: 41.988 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 :: 7.722 HA :: 3.599 HB2 :: 1.594 HB3 :: 1.819 HG2 :: 1.381 HG3 :: 0.971 HD2 :: 1.599 HD3 :: 1.304 HE2 :: 2.836 HE3 :: 2.836 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 :: 125.436 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.57 W 0.42 C Shift Assignments>> C :: 174.480 CA :: 56.762 CB :: 29.966 CD2 :: 118.765 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 :: 8.116 HA :: 4.243 HB2 :: 2.289 HB3 :: 2.889 HD2 :: 7.245 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 :: 114.950 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 173.660 CA :: 60.832 CB :: 39.771 CD1 :: 131.655 CD2 :: 131.655 CE1 :: 130.632 CE2 :: 130.632 CZ :: 128.993 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 :: 8.337 HA :: 4.081 HB2 :: 2.738 HB3 :: 2.816 HD1 :: 7.218 HD2 :: 7.218 HE1 :: 6.928 HE2 :: 6.928 HZ :: 6.045 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 :: 111.136 Ave N Shift Values>> N :: 120.69(4.18) 1.L90 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> G 0.5 L 0.37 A 0.08 R 0.02 C Shift Assignments>> C :: 177.459 CA :: 53.298 CB :: 44.821 CG :: 26.921 CD1 :: 25.975 CD2 :: 22.678 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 :: 7.636 HA :: 5.083 HB2 :: 1.987 HB3 :: 1.434 HG :: 1.551 HD11 :: 0.920 HD12 :: 0.920 HD13 :: 0.920 HD21 :: 1.005 HD22 :: 1.005 HD23 :: 1.005 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 :: 109.155(A) Ave N Shift Values>> N :: 121.98(4.07) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.130 CA :: 46.734 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.182 HA2 :: 4.466 HA3 :: 3.816 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.372 Ave N Shift Values>> N :: 109.91(4.29) 1.R92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.52 K 0.35 G 0.11 C Shift Assignments>> C :: 173.620 CA :: 54.582 CB :: 32.242 CG :: 25.853 CD :: 43.243 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 :: 7.492 HA :: 4.954 HB2 :: 1.904 HB3 :: 1.654 HG2 :: 1.186 HG3 :: 1.186 HD2 :: 2.833 HD3 :: 3.034 HE :: 9.598(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 112.534 NE :: 84.373 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.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C Shift Assignments>> C :: 176.120 CA :: 50.154 CB :: 17.256 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.236 HA :: 4.849 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.853 Ave N Shift Values>> N :: 123.23(3.7) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.710 CA :: 62.727 CB :: 31.647 CG :: 28.149 CD :: 50.171 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 :: 4.483 HB2 :: 2.302 HB3 :: 1.815 HG2 :: 2.066 HG3 :: 2.029 HD2 :: 4.043 HD3 :: 3.633 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.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.890 CA :: 63.561 CB :: 38.851 CG1 :: 27.998 CG2 :: 17.385 CD1 :: 12.144 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 :: 9.412 HA :: 3.708 HB :: 1.601 HG12 :: 1.609 HG13 :: 1.334 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 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 :: 123.538 Ave N Shift Values>> N :: 121.6(4.72) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.24 L 0.17 K 0.06 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 175.650 CA :: 52.264 CB :: 41.030 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 :: 7.276 HA :: 4.558 HB2 :: 3.093 HB3 :: 3.230 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 112.658 Ave N Shift Values>> N :: 120.73(4.2) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.33 E 0.13 R 0.11 I 0.03 M 0.03 C Shift Assignments>> C :: 177.880 CA :: 58.139 CB :: 28.104 CG :: 33.818 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 :: 8.567 HA :: 4.029 HB2 :: 2.115 HB3 :: 2.492 HG2 :: 2.493 HG3 :: 2.493 HE21 :: 6.906 HE22 :: 7.567 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 :: 116.498 NE2 :: 112.546 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.28 I 0.05 C Shift Assignments>> C :: 180.340 CA :: 55.187 CB :: 17.198 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.000 HA :: 4.038 HB1 :: 1.452 HB2 :: 1.452 HB3 :: 1.452 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.918 Ave N Shift Values>> N :: 123.23(3.7) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 E 0.24 C Shift Assignments>> C :: 178.230 CA :: 59.545 CB :: 29.706 CG :: 38.717 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 :: 8.364 HA :: 3.885 HB2 :: 2.155 HB3 :: 2.307 HG2 :: 2.197 HG3 :: 2.327 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 :: 122.463 Ave N Shift Values>> N :: 120.68(3.68) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Y73 1.Y73 C Shift Assignments>> C :: 177.760 CA :: 66.457 CB :: 37.608 CG1 :: 29.747 CG2 :: 17.197 CD1 :: 12.931 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 :: 7.510 HA :: 3.693 HB :: 2.056 HG12 :: 1.951 HG13 :: 0.985 HG21 :: 1.007 HG22 :: 1.007 HG23 :: 1.007 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 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 :: 117.701 Ave N Shift Values>> N :: 121.6(4.72) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.19 K 0.09 HN Overlap>> 1.Y68 1.Y68 C Shift Assignments>> C :: 179.131 CA :: 59.855 CB :: 30.077 CG :: 27.851 CD :: 43.565 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 :: 8.510 HA :: 4.037 HB2 :: 1.904 HB3 :: 1.963 HG2 :: 1.873 HG3 :: 1.629 HD2 :: 3.268 HD3 :: 3.192 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.273 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.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.28 M 0.05 HN Overlap>> 1.K17 1.K17 1.K47 1.K47 C Shift Assignments>> C :: 179.831 CA :: 59.270 CB :: 31.523 CG :: 24.238 CD :: 29.314 CE :: 41.675 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 :: 7.834 HA :: 4.050 HB2 :: 1.837 HB3 :: 1.837 HG2 :: 0.891 HG3 :: 1.456 HD2 :: 1.600 HD3 :: 1.443 HE2 :: 2.606 HE3 :: 2.742 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 :: 120.878 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.880 CA :: 59.582 CB :: 37.628 CD1 :: 131.231 CD2 :: 131.231 CE1 :: 118.894 CE2 :: 118.894 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 :: 8.019 HA :: 4.653 HB2 :: 2.967 HB3 :: 3.079 HD1 :: 7.105 HD2 :: 7.105 HE1 :: 6.774 HE2 :: 6.774 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 :: 117.909 Ave N Shift Values>> N :: 120.79(4.69) 1.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.29 I 0.1 D 0.09 L 0.05 N 0.05 E 0.04 C Shift Assignments>> C :: 176.820 CA :: 57.221 CB :: 39.051 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.508 HA :: 4.308 HB2 :: 2.868 HB3 :: 2.712 HD21 :: 6.927 HD22 :: 7.510 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 :: 121.388 ND2 :: 112.908 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.32 R 0.16 E 0.09 I 0.03 M 0.02 P 0.01 C Shift Assignments>> C :: 179.170 CA :: 58.957 CB :: 27.839 CG :: 33.503 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 :: 7.893 HA :: 4.188 HB2 :: 2.251 HB3 :: 2.251 HG2 :: 2.533 HG3 :: 2.486 HE21 :: 6.847 HE22 :: 7.492 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 :: 117.801 NE2 :: 111.366 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.000 CA :: 65.543 CB :: 39.182 CG1 :: 28.292 CG2 :: 16.558 CD1 :: 13.970 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 :: 7.336 HA :: 3.748 HB :: 2.097 HG12 :: 1.168 HG13 :: 1.992 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 HD11 :: 1.063 HD12 :: 1.063 HD13 :: 1.063 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.328 Ave N Shift Values>> N :: 121.6(4.72) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.12 G 0.03 C Shift Assignments>> C :: 178.781 CA :: 58.332 CB :: 42.438 CG :: 26.951 CD1 :: 24.189 CD2 :: 25.016 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 :: 8.615 HA :: 3.835 HB2 :: 1.721 HB3 :: 1.456 HG :: 1.477 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 HD21 :: 0.768 HD22 :: 0.768 HD23 :: 0.768 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 :: 121.268 Ave N Shift Values>> N :: 121.98(4.07) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.42 I 0.01 L 0.01 HN Overlap>> 1.E131 1.E131 C Shift Assignments>> C :: 179.170 CA :: 54.424 CB :: 19.065 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.806 HA :: 4.234 HB1 :: 1.485 HB2 :: 1.485 HB3 :: 1.485 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.900 Ave N Shift Values>> N :: 123.23(3.7) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.830 CA :: 62.894 CB :: 70.570 CG2 :: 21.531 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 :: 7.604 HA :: 4.486 HB :: 4.279 HG1 :: 5.174 HG21 :: 1.352 HG22 :: 1.352 HG23 :: 1.352 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 :: 105.543 Ave N Shift Values>> N :: 115.7(5.05) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 Q 0.24 E 0.21 K 0.05 C Shift Assignments>> C :: 177.214 CA :: 56.429 CB :: 32.003 CG :: 34.199 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 :: 8.548 HA :: 4.644 HB2 :: 2.145 HB3 :: 2.060 HG2 :: 2.433 HG3 :: 2.360 HE21 :: 6.798 HE22 :: 7.492 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 :: 120.078 NE2 :: 111.242 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.17 R 0.11 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.440 CA :: 44.810 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.950 HA2 :: 4.646 HA3 :: 4.133 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.158 Ave N Shift Values>> N :: 109.91(4.29) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 M 0.01 C Shift Assignments>> C :: 176.120 CA :: 60.867 CB :: 37.569 CG1 :: 29.185 CG2 :: 18.523 CD1 :: 14.479 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 :: 8.057 HA :: 4.063 HB :: 0.892 HG12 :: 1.198 HG13 :: 1.216 HG21 :: 0.813 HG22 :: 0.813 HG23 :: 0.813 HD11 :: 1.138 HD12 :: 1.138 HD13 :: 1.138 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 :: 116.708 Ave N Shift Values>> N :: 121.6(4.72) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 G 0.21 K 0.09 L 0.02 HN Overlap>> 1.K5 1.K5 C Shift Assignments>> C :: 177.770 CA :: 60.401 CB :: 28.645 CG :: 28.754 CD :: 43.172 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 :: 8.154 HA :: 3.828 HB2 :: 1.595 HB3 :: 1.390 HG2 :: 1.096 HG3 :: 1.488 HD2 :: 2.913 HD3 :: 2.689 HE :: 7.107 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 :: 123.062 NE :: 84.144 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.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.39 L 0.01 V 0.01 C Shift Assignments>> C :: 180.570 CA :: 54.249 CB :: 19.503 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.525 HA :: 4.060 HB1 :: 1.326 HB2 :: 1.326 HB3 :: 1.326 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.148 Ave N Shift Values>> N :: 123.23(3.7) 1.F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.533 CA :: 59.403 CB :: 38.878 CD1 :: 131.665 CD2 :: 131.665 CE1 :: 130.221 CE2 :: 130.221 CZ :: 130.354 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 :: 7.766 HA :: 4.458 HB2 :: 3.041 HB3 :: 3.307 HD1 :: 7.110 HD2 :: 7.110 HE1 :: 6.792 HE2 :: 6.792 HZ :: 7.415 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 :: 120.178 Ave N Shift Values>> N :: 120.69(4.18) 1.I116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.110 CA :: 63.019 CB :: 35.314 CG1 :: 26.299 CG2 :: 16.248 CD1 :: 9.968 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 :: 7.934 HA :: 2.654 HB :: 1.849 HG12 :: 1.051 HG13 :: 1.301 HG21 :: -0.163(S) HG22 :: -0.163(S) HG23 :: -0.163(S) HD11 :: 0.157 HD12 :: 0.157 HD13 :: 0.157 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 :: 118.682 Ave N Shift Values>> N :: 121.6(4.72) 1.N117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 D 0.11 L 0.1 I 0.08 K 0.05 N 0.03 E 0.01 C Shift Assignments>> C :: 176.590 CA :: 57.394 CB :: 39.956 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 :: 8.504 HA :: 3.993 HB2 :: 3.147 HB3 :: 2.641 HD21 :: 6.925 HD22 :: 7.739 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 :: 117.028 ND2 :: 114.392 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.47 I 0.01 C Shift Assignments>> C :: 179.640 CA :: 54.207 CB :: 17.795 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.742 HA :: 4.071 HB1 :: 1.690 HB2 :: 1.690 HB3 :: 1.690 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.388 Ave N Shift Values>> N :: 123.23(3.7) 1.L119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 G 0.1 R 0.05 A 0.04 C Shift Assignments>> C :: 179.400 CA :: 57.452 CB :: 42.571 CG :: 24.524 CD1 :: 25.652 CD2 :: 22.203 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 :: 7.370 HA :: 4.044 HB2 :: 1.558 HB3 :: 0.833 HG :: 1.063 HD11 :: -0.042 HD12 :: -0.042 HD13 :: -0.042 HD21 :: 0.278 HD22 :: 0.278 HD23 :: 0.278 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 :: 116.103 Ave N Shift Values>> N :: 121.98(4.07) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.480 CA :: 63.371 CB :: 31.246 CG1 :: 21.435 CG2 :: 21.414 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 :: 7.696 HA :: 3.236 HB :: 1.282 HG11 :: 0.289 HG12 :: 0.289 HG13 :: 0.289 HG21 :: 0.432 HG22 :: 0.432 HG23 :: 0.432 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 :: 114.907 Ave N Shift Values>> N :: 121.02(4.96) 1.N121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.14 Y 0.08 F 0.06 E 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 174.657 CA :: 52.759 CB :: 38.088 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 :: 7.478 HA :: 4.857 HB2 :: 2.775 HB3 :: 2.579 HD21 :: 7.206 HD22 :: 7.440 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 :: 113.635 ND2 :: 117.150 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S122 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 :: 174.710 CA :: 57.944 CB :: 65.207 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.249 HA :: 4.403 HB2 :: 4.393 HB3 :: 4.609 HG :: 5.433 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 :: 114.938 Ave N Shift Values>> N :: 116.3(3.95) 1.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.31 R 0.18 E 0.07 I 0.03 M 0.02 P 0.02 C Shift Assignments>> C :: 178.000 CA :: 58.957 CB :: 27.736 CG :: 33.352 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 :: 8.892 HA :: 4.130 HB2 :: 2.180 HB3 :: 2.059 HG2 :: 2.408 HG3 :: 2.496 HE21 :: 6.865 HE22 :: 7.799 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.646 NE2 :: 112.516 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 Q 0.23 K 0.21 I 0.08 M 0.08 R 0.01 C Shift Assignments>> C :: 176.820 CA :: 59.102 CB :: 29.773 CG :: 34.851 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 :: 8.390 HA :: 3.946 HB2 :: 1.823 HB3 :: 2.159 HG2 :: 2.388 HG3 :: 1.877 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 :: 118.684 Ave N Shift Values>> N :: 120.68(3.68) 1.Y125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.L69 1.L69 C Shift Assignments>> C :: 179.010 CA :: 62.115 CB :: 39.159 CE1 :: 118.728 CE2 :: 118.728 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 :: 8.067 HA :: 3.575 HB2 :: 2.973 HB3 :: 3.165 HD1 :: 7.024 HD2 :: 7.024 HE1 :: 7.054 HE2 :: 7.054 HH :: 9.057 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 :: 119.295 Ave N Shift Values>> N :: 120.79(4.69) 1.N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.29 D 0.11 I 0.08 N 0.06 L 0.06 E 0.04 C Shift Assignments>> C :: 176.590 CA :: 56.991 CB :: 39.107 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 :: 7.942 HA :: 4.340 HB2 :: 2.871 HB3 :: 3.026 HD21 :: 6.849 HD22 :: 7.657 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 :: 116.113 ND2 :: 112.113 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.22 K 0.09 M 0.07 Q 0.03 C Shift Assignments>> C :: 177.640 CA :: 58.544 CB :: 29.968 CG :: 36.521 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 :: 8.499 HA :: 4.027 HB2 :: 2.122 HB3 :: 1.980 HG2 :: 2.236 HG3 :: 2.427 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 :: 117.788 Ave N Shift Values>> N :: 120.68(3.68) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.240 CA :: 64.377 CB :: 32.163 CG1 :: 20.306 CG2 :: 20.752 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 :: 7.896 HA :: 3.803 HB :: 1.028 HG11 :: 0.018 HG12 :: 0.018 HG13 :: 0.018 HG21 :: 0.456 HG22 :: 0.456 HG23 :: 0.456 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.408 Ave N Shift Values>> N :: 121.02(4.96) 1.F129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.741 CA :: 56.144 CB :: 38.918 CD1 :: 128.352 CD2 :: 128.352 CE1 :: 128.352 CE2 :: 128.352 CZ :: 128.352 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 :: 7.854 HA :: 4.783 HB2 :: 3.074 HB3 :: 2.199 HD1 :: 6.759 HD2 :: 6.759 HE1 :: 6.759 HE2 :: 6.759 HZ :: 6.759 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 :: 118.955 Ave N Shift Values>> N :: 120.69(4.18) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 173.954 CA :: 46.052 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.869 HA2 :: 4.259 HA3 :: 4.128 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.784 Ave N Shift Values>> N :: 109.91(4.29) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.2 I 0.1 K 0.04 Q 0.03 HN Overlap>> 1.A108 1.A108 C Shift Assignments>> C :: 177.060 CA :: 57.699 CB :: 31.144 CG :: 36.550 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 :: 8.789 HA :: 4.482 HB2 :: 2.228 HB3 :: 2.036 HG2 :: 2.509 HG3 :: 2.373 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 :: 117.909 Ave N Shift Values>> N :: 120.68(3.68) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.28 G 0.12 D 0.1 K 0.05 F 0.04 Y 0.02 C Shift Assignments>> C :: 175.420 CA :: 54.582 CB :: 43.644 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 :: 8.159 HA :: 5.132 HB2 :: 3.056 HB3 :: 2.824 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 112.398 Ave N Shift Values>> N :: 120.73(4.2) 1.T133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.471 CA :: 62.082 CB :: 70.611 CG2 :: 20.649 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 :: 7.013 HA :: 4.835 HB :: 4.525 HG21 :: 1.438 HG22 :: 1.438 HG23 :: 1.438 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.928 Ave N Shift Values>> N :: 115.7(5.05) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 172.840 CA :: 61.109 CB :: 32.276 CG1 :: 19.990 CG2 :: 23.770 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 :: 8.703 HA :: 3.616 HB :: 2.210 HG11 :: 0.920 HG12 :: 0.920 HG13 :: 0.920 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 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 :: 129.108 Ave N Shift Values>> N :: 121.02(4.96) 1.P135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 172.119 CA :: 62.693 CB :: 31.467 CG :: 29.045 CD :: 50.468 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 :: 1.876(S) HB2 :: 1.227 HB3 :: 1.135 HG2 :: 1.776 HG3 :: 1.583 HD2 :: 3.086 HD3 :: 3.837 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.Y136 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.641 CA :: 53.435 CB :: 40.440 CD1 :: 135.191 CD2 :: 135.191 CE1 :: 116.912 CE2 :: 116.912 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 :: 5.764(S) HA :: 4.579 HB2 :: 2.960 HB3 :: 2.960 HD1 :: 7.113 HD2 :: 7.113 HE1 :: 6.807 HE2 :: 6.807 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 :: 114.675 Ave N Shift Values>> N :: 120.79(4.69) 1.R137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.16 K 0.1 L 0.03 HN Overlap>> 1.D31 1.D31 C Shift Assignments>> C :: 176.768 CA :: 57.012 CB :: 30.055 CG :: 26.922 CD :: 43.656 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 :: 8.238 HA :: 4.272 HB2 :: 1.814 HB3 :: 1.814 HG2 :: 1.428 HG3 :: 1.604 HD2 :: 3.165 HD3 :: 3.133 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.510 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.R138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 R 0.26 K 0.04 C Shift Assignments>> C :: 175.747 CA :: 56.193 CB :: 32.881 CG :: 25.612 CD :: 44.809 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 :: 9.052 HA :: 4.344 HB2 :: 1.747 HB3 :: 1.320 HG2 :: 1.581 HG3 :: 1.846 HD2 :: 2.946 HD3 :: 3.230 HE :: 7.242 HH11 :: 6.695 HH12 :: 6.695 HH21 :: 6.695 HH22 :: 6.695 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 :: 128.019 NE :: 83.181 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.F139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.44 C Shift Assignments>> C :: 174.019 CA :: 55.178 CB :: 39.223 CD1 :: 132.173 CD2 :: 132.173 CE1 :: 131.066 CE2 :: 131.066 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 :: 8.372 HA :: 5.018 HB2 :: 3.224 HB3 :: 2.957 HD1 :: 7.346 HD2 :: 7.346 HE1 :: 7.299 HE2 :: 7.299 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 :: 119.102 Ave N Shift Values>> N :: 120.69(4.18) 1.P140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.950 CA :: 63.445 CB :: 32.003 CG :: 27.359 CD :: 50.490 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 :: 4.471 HB2 :: 2.280 HB3 :: 1.977 HG2 :: 1.994 HG3 :: 2.067 HD2 :: 3.756 HD3 :: 3.756 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.T141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.547 CA :: 61.901 CB :: 69.623 CG2 :: 21.693 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 :: 8.216 HA :: 4.343 HB :: 4.246 HG21 :: 1.237 HG22 :: 1.237 HG23 :: 1.237 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 :: 113.783 Ave N Shift Values>> N :: 115.7(5.05) 1.L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.07 A 0.03 G 0.02 C Shift Assignments>> C :: 177.180 CA :: 55.056 CB :: 42.212 CG :: 26.876 CD1 :: 24.817 CD2 :: 23.359 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 :: 8.249 HA :: 4.363 HB2 :: 1.563 HB3 :: 1.634 HG :: 1.592 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.958 Ave N Shift Values>> N :: 121.98(4.07) 1.E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.16 K 0.13 Q 0.1 I 0.05 C Shift Assignments>> C :: 176.100 CA :: 56.434 CB :: 30.242 CG :: 36.051 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 :: 8.239 HA :: 4.195 HB2 :: 1.900 HB3 :: 1.867 HG2 :: 2.149 HG3 :: 2.223 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 :: 121.218 Ave N Shift Values>> N :: 120.68(3.68) 1.H144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.16 Q 0.14 W 0.14 E 0.14 K 0.09 M 0.09 I 0.01 C Shift Assignments>> C :: 174.902 CA :: 55.850 CB :: 30.276 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 :: 8.291 HA :: 4.551 HB2 :: 2.993 HB3 :: 3.044 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 :: 119.708 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 136 #Clerical: 0 #Suspicious: 12 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 144 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 149 #Suspicious: 0 C Shift Results: #Consistent: 670 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1064 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 155 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.Q26 CG = 29.756(S), Expected = 33.72, Std = 1.1000, ChiSquare = 3.1380e-04 1.Q26 HE21 = 5.521(S), Expected = 7.17, Std = 0.4600, ChiSquare = 3.3736e-04 1.E40 HB2 = 1.295(S), Expected = 2.04, Std = 0.2200, ChiSquare = 7.0825e-04 1.E45 HG2 = 3.056(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.8176e-04 1.E60 HG3 = 1.534(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.1968e-04 1.G61 HA3 = 2.477(S), Expected = 3.93, Std = 0.4000, ChiSquare = 2.8069e-04 1.E71 HB2 = 1.116(S), Expected = 2.04, Std = 0.2200, ChiSquare = 2.6691e-05 1.F72 HB3 = 1.648(S), Expected = 2.97, Std = 0.3800, ChiSquare = 5.0339e-04 1.P75 HB2 = 0.212(S), Expected = 2.05, Std = 0.3900, ChiSquare = 2.4431e-06 1.L90 N = 109.155(A), Expected = 121.98, Std = 4.0700, ChiSquare = 1.6265e-03 1.R92 HE = 9.598(S), Expected = 7.32, Std = 0.5200, ChiSquare = 1.1826e-05 1.I116 HG21 = -0.163(S), Expected = 0.80, Std = 0.2900, ChiSquare = 8.9795e-04 1.I116 HG22 = -0.163(S), Expected = 0.80, Std = 0.2900, ChiSquare = 8.9795e-04 1.I116 HG23 = -0.163(S), Expected = 0.80, Std = 0.2900, ChiSquare = 8.9795e-04 1.P135 HA = 1.876(S), Expected = 4.41, Std = 0.3600, ChiSquare = 1.9378e-12 1.Y136 H = 5.764(S), Expected = 8.37, Std = 0.7500, ChiSquare = 5.1149e-04