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 0.72 A 0.26 C Shift Assignments>> CA :: 55.092 CB :: 33.546 CG :: 31.101 CE :: 16.815 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 3.995 HB2 :: 2.015 HB3 :: 2.015 HG2 :: 2.464 HG3 :: 2.464 HE1 :: 2.053 HE2 :: 2.053 HE3 :: 2.053 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.R2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.23 G 0.09 HN Overlap>> 1.V89 1.V89 C Shift Assignments>> C :: 173.711 CA :: 56.733 CB :: 31.396 CG :: 27.143 CD :: 43.289 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.543 HA :: 4.232 HB2 :: 1.745 HB3 :: 1.745 HG2 :: 1.218 HG3 :: 1.510 HD2 :: 2.974 HD3 :: 3.068 HE :: 6.841 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.935 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.V3 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 :: 61.935 CB :: 32.931 CG1 :: 20.430 CG2 :: 21.054 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 :: 7.985 HA :: 3.902 HB :: 1.811 HG11 :: 0.638 HG12 :: 0.638 HG13 :: 0.638 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 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 :: 122.329 Ave N Shift Values>> N :: 121.02(4.96) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.207 CA :: 58.548 CB :: 39.976 CD1 :: 132.577 CD2 :: 132.577 CE1 :: 118.874 CE2 :: 118.874 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 :: 8.241 HA :: 4.604 HB2 :: 2.847 HB3 :: 2.921 HD1 :: 7.130 HD2 :: 7.130 HE1 :: 6.744 HE2 :: 6.744 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 :: 127.768 Ave N Shift Values>> N :: 120.79(4.69) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.35 M 0.03 L 0.01 C Shift Assignments>> C :: 176.132 CA :: 55.036 CB :: 30.542 CG :: 24.824 CD :: 28.648 CE :: 41.502 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.304 HA :: 4.762 HB2 :: 1.538 HB3 :: 2.041 HG2 :: 1.559 HG3 :: 1.509 HD2 :: 1.783 HD3 :: 1.726 HE2 :: 3.011 HE3 :: 3.011 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.830 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 G 0.01 C Shift Assignments>> C :: 178.127 CA :: 66.795 CB :: 30.508 CG :: 27.478 CD :: 49.416 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.642 HB2 :: 1.599 HB3 :: 1.252 HG2 :: 1.733 HG3 :: 0.712 HD2 :: 3.805 HD3 :: 3.669 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.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 I 0.21 K 0.21 Q 0.13 R 0.01 M 0.01 C Shift Assignments>> C :: 176.604 CA :: 58.532 CB :: 28.128 CG :: 35.722 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 :: 9.841 HA :: 4.110 HB2 :: 2.020 HB3 :: 2.020 HG2 :: 2.285 HG3 :: 2.208 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 :: 114.017 Ave N Shift Values>> N :: 120.68(3.68) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.29 G 0.1 D 0.1 K 0.05 F 0.04 Y 0.03 HN Overlap>> 1.R95 1.R95 C Shift Assignments>> C :: 176.571 CA :: 54.875 CB :: 43.618 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 :: 8.034 HA :: 4.650 HB2 :: 3.085 HB3 :: 2.839 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.208 Ave N Shift Values>> N :: 120.73(4.2) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.247 CA :: 61.552 CB :: 32.338 CG1 :: 22.888 CG2 :: 23.195 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 :: 7.565 HA :: 4.112 HB :: 2.424 HG11 :: 1.269 HG12 :: 1.269 HG13 :: 1.269 HG21 :: 1.258 HG22 :: 1.258 HG23 :: 1.258 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 :: 121.317 Ave N Shift Values>> N :: 121.02(4.96) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.157 CA :: 63.718 CB :: 31.831 CG :: 27.773 CD :: 51.100 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 :: 4.424 HB2 :: 1.950 HB3 :: 2.304 HG2 :: 2.083 HG3 :: 2.239 HD2 :: 3.524 HD3 :: 4.451 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.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 Y 0.06 D 0.06 M 0.05 E 0.04 F 0.03 K 0.01 HN Overlap>> 1.A31 1.A31 C Shift Assignments>> CA :: 51.845 CB :: 37.019 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 :: 8.546 HA :: 4.274 HB2 :: 2.668 HB3 :: 2.212 HD21 :: 6.455 HD22 :: 6.760 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 :: 121.814 ND2 :: 108.737 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.783 CA :: 63.426 CB :: 31.821 CG1 :: 20.910 CG2 :: 19.533 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 :: 7.255 HA :: 3.820 HB :: 1.826 HG11 :: 0.825 HG12 :: 0.825 HG13 :: 0.825 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.435 Ave N Shift Values>> N :: 121.02(4.96) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.33 E 0.17 R 0.07 M 0.04 I 0.01 C Shift Assignments>> C :: 176.696 CA :: 55.830 CB :: 28.677 CG :: 34.158 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 :: 8.001 HA :: 4.495 HB2 :: 1.978 HB3 :: 1.929 HG2 :: 2.298 HG3 :: 2.088 HE21 :: 7.507 HE22 :: 6.711 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.573 NE2 :: 111.925 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.88 R 0.06 A 0.03 G 0.01 C Shift Assignments>> CA :: 56.047 CB :: 41.779 CG :: 26.636 CD1 :: 25.038 CD2 :: 22.746 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 :: 7.323 HA :: 3.970 HB2 :: 1.489 HB3 :: 1.570 HG :: 1.443 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 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) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.72 M 0.26 C Shift Assignments>> C :: 177.971 CA :: 53.099 CB :: 19.238 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.603 HA :: 4.249 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) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.21 N 0.14 K 0.11 F 0.06 Y 0.05 R 0.03 C Shift Assignments>> C :: 175.725 CA :: 53.359 CB :: 41.326 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 :: 7.792 HA :: 4.570 HB2 :: 2.634 HB3 :: 2.634 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.360 Ave N Shift Values>> N :: 120.73(4.2) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.675 CA :: 60.093 CB :: 63.142 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.449 HA :: 4.342 HB2 :: 4.055 HB3 :: 3.903 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 :: 117.366 Ave N Shift Values>> N :: 116.3(3.95) 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 :: 173.895 CA :: 62.812 CB :: 69.265 CG2 :: 21.628 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 :: 8.520 HA :: 4.220 HB :: 4.234 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 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 :: 114.026 Ave N Shift Values>> N :: 115.7(5.05) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 G 0.22 K 0.15 HN Overlap>> 1.R44 1.R44 C Shift Assignments>> C :: 174.407 CA :: 55.793 CB :: 32.332 CG :: 27.190 CD :: 43.839 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 :: 7.884 HA :: 4.349 HB2 :: 1.781 HB3 :: 1.664 HG2 :: 1.626 HG3 :: 1.411 HD2 :: 3.178 HD3 :: 3.037 HE :: 7.343 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.083 NE :: 85.001 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.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.41 R 0.09 A 0.03 C Shift Assignments>> CA :: 54.864 CB :: 44.837 CG :: 28.105 CD1 :: 25.279 CD2 :: 23.210 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 :: 8.190 HA :: 4.492 HB2 :: 1.493 HB3 :: 2.334 HG :: 1.417 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.878 Ave N Shift Values>> N :: 121.98(4.07) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> C :: 175.804 CA :: 61.139 CB :: 33.550 CG1 :: 20.906 CG2 :: 22.576 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 :: 7.729 HA :: 4.880 HB :: 2.049 HG11 :: 0.767 HG12 :: 0.767 HG13 :: 0.767 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 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) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.322 CA :: 61.298 CB :: 69.834 CG2 :: 22.248 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 :: 9.422 HA :: 4.516 HB :: 4.447 HG1 :: 7.125 HG21 :: 1.609 HG22 :: 1.609 HG23 :: 1.609 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 :: 126.787 Ave N Shift Values>> N :: 115.7(5.05) 1.D23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.39 N 0.34 L 0.12 F 0.04 K 0.03 Y 0.03 R 0.01 C Shift Assignments>> C :: 178.122 CA :: 50.963 CB :: 40.890 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.305 HA :: 5.651(S) HB2 :: 2.971 HB3 :: 2.038 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 129.143 Ave N Shift Values>> N :: 120.73(4.2) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.25 K 0.12 M 0.02 Q 0.02 HN Overlap>> 1.N130 1.N130 C Shift Assignments>> C :: 178.120 CA :: 57.593 CB :: 28.996 CG :: 36.907 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 :: 7.848 HA :: 4.228 HB2 :: 2.384 HB3 :: 2.207 HG2 :: 2.198 HG3 :: 2.078 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 :: 121.824 Ave N Shift Values>> N :: 120.68(3.68) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.14 C Shift Assignments>> C :: 175.874 CA :: 51.149 CB :: 18.189 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.903 HA :: 4.176 HB1 :: 0.925 HB2 :: 0.925 HB3 :: 0.925 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.955 Ave N Shift Values>> N :: 123.23(3.7) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 P 0.06 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 175.327 CA :: 47.573 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.127 HA2 :: 3.925 HA3 :: 3.678 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.858 Ave N Shift Values>> N :: 109.91(4.29) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.32 A 0.09 R 0.06 C Shift Assignments>> C :: 176.704 CA :: 54.892 CB :: 44.220 CG :: 26.244 CD1 :: 26.285 CD2 :: 22.282 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.409 HA :: 4.301 HB2 :: 1.456 HB3 :: 1.338 HG :: 1.314 HD11 :: 0.465 HD12 :: 0.465 HD13 :: 0.465 HD21 :: 0.723 HD22 :: 0.723 HD23 :: 0.723 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 :: 120.535 Ave N Shift Values>> N :: 121.98(4.07) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.41 R 0.09 C Shift Assignments>> C :: 176.938 CA :: 52.814 CB :: 44.423 CG :: 27.398 CD1 :: 26.854 CD2 :: 24.700 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.274 HA :: 4.940 HB2 :: 1.764 HB3 :: 1.365 HG :: 1.359 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 HD21 :: 0.749 HD22 :: 0.749 HD23 :: 0.749 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 :: 119.704 Ave N Shift Values>> N :: 121.98(4.07) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.249 CA :: 57.020 CB :: 64.888 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.572 HA :: 4.515 HB2 :: 4.381 HB3 :: 3.981 HG :: 5.941 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 :: 123.101 Ave N Shift Values>> N :: 116.3(3.95) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 E 0.24 F 0.19 I 0.11 N 0.04 M 0.04 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 177.893 CA :: 57.327 CB :: 37.523 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 :: 9.115 HA :: 4.348 HB2 :: 2.841 HB3 :: 2.841 HD21 :: 7.765 HD22 :: 7.064 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 :: 120.053 ND2 :: 113.478 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.38 I 0.03 HN Overlap>> 1.N11 1.N11 C Shift Assignments>> C :: 180.579 CA :: 55.188 CB :: 18.295 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.514 HA :: 4.193 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.769 Ave N Shift Values>> N :: 123.23(3.7) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.32 E 0.19 R 0.07 I 0.04 M 0.02 HN Overlap>> 1.K70 1.K70 C Shift Assignments>> C :: 180.335 CA :: 58.247 CB :: 28.366 CG :: 34.178 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 :: 7.766 HA :: 3.975 HB2 :: 1.857 HB3 :: 2.373 HG2 :: 2.448 HG3 :: 2.448 HE21 :: 6.791 HE22 :: 7.458 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 :: 117.673 NE2 :: 110.908 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 E 0.23 K 0.01 C Shift Assignments>> C :: 177.495 CA :: 60.678 CB :: 29.306 CG :: 37.827 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 :: 9.025 HA :: 3.756 HB2 :: 2.149 HB3 :: 2.149 HG2 :: 2.337 HG3 :: 1.999 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 :: 121.822 Ave N Shift Values>> N :: 120.68(3.68) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.23 K 0.16 Q 0.1 M 0.03 C Shift Assignments>> C :: 180.420 CA :: 59.478 CB :: 29.256 CG :: 35.720 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 :: 8.203 HA :: 4.296 HB2 :: 2.226 HB3 :: 2.148 HG2 :: 2.357 HG3 :: 2.357 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.974 Ave N Shift Values>> N :: 120.68(3.68) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.175 CA :: 65.983 CB :: 32.009 CG1 :: 20.830 CG2 :: 22.588 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 :: 7.774 HA :: 3.762 HB :: 2.048 HG11 :: 0.962 HG12 :: 0.962 HG13 :: 0.962 HG21 :: 1.118 HG22 :: 1.118 HG23 :: 1.118 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.989 Ave N Shift Values>> N :: 121.02(4.96) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 I 0.05 C Shift Assignments>> C :: 177.972 CA :: 59.956 CB :: 33.225 CG :: 31.827 CE :: 16.504 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.086 HA :: 3.938 HB2 :: 2.289 HB3 :: 1.916 HG2 :: 2.306 HG3 :: 2.200 HE1 :: 1.859 HE2 :: 1.859 HE3 :: 1.859 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.297 Ave N Shift Values>> N :: 120.1(3.88) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.24 E 0.1 N 0.09 D 0.08 I 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 178.233 CA :: 56.707 CB :: 38.413 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 :: 9.371 HA :: 4.591 HB2 :: 2.964 HB3 :: 2.765 HD21 :: 7.554 HD22 :: 7.953 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 :: 117.681 ND2 :: 115.037 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 P 0.06 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 176.716 CA :: 47.571 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.123 HA2 :: 4.070 HA3 :: 3.798 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.712 Ave N Shift Values>> N :: 109.91(4.29) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.15 G 0.09 L 0.01 C Shift Assignments>> C :: 178.348 CA :: 59.473 CB :: 29.636 CG :: 27.768 CD :: 43.001 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 :: 7.805 HA :: 4.203 HB2 :: 1.952 HB3 :: 1.694 HG2 :: 1.852 HG3 :: 1.660 HD2 :: 3.075 HD3 :: 3.158 HE :: 7.352 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 :: 123.694 NE :: 84.062 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.04 A 0.01 HN Overlap>> 1.R127 1.R127 C Shift Assignments>> C :: 181.396 CA :: 58.219 CB :: 40.594 CG :: 26.543 CD1 :: 26.549 CD2 :: 22.414 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 :: 8.629 HA :: 4.075 HB2 :: 1.927 HB3 :: 1.788 HG :: 1.732 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 HD21 :: 0.145 HD22 :: 0.145 HD23 :: 0.145 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 :: 119.747 Ave N Shift Values>> N :: 121.98(4.07) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 G 0.32 K 0.07 HN Overlap>> 1.A132 1.A132 C Shift Assignments>> C :: 179.052 CA :: 60.338 CB :: 30.542 CG :: 28.355 CD :: 43.897 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 :: 8.945 HA :: 3.958 HB2 :: 2.066 HB3 :: 1.933 HG2 :: 2.104 HG3 :: 1.431 HD2 :: 3.404 HD3 :: 3.244 HE :: 7.483 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.064 NE :: 83.011 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.A42 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 :: 180.767 CA :: 55.186 CB :: 17.679 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.891 HA :: 4.292 HB1 :: 1.630 HB2 :: 1.630 HB3 :: 1.630 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.125 Ave N Shift Values>> N :: 123.23(3.7) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.991 CA :: 65.851 CB :: 39.214 CG1 :: 30.401 CG2 :: 17.415 CD1 :: 14.960 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 :: 8.348 HA :: 3.898 HB :: 2.205 HG12 :: 2.255 HG13 :: 1.044 HG21 :: 1.087 HG22 :: 1.087 HG23 :: 1.087 HD11 :: 1.042 HD12 :: 1.042 HD13 :: 1.042 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 :: 121.308 Ave N Shift Values>> N :: 121.6(4.72) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 R 0.45 K 0.01 HN Overlap>> 1.R19 1.R19 C Shift Assignments>> C :: 179.645 CA :: 60.035 CB :: 30.462 CG :: 26.182 CD :: 44.426 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 :: 7.827 HA :: 4.392 HB2 :: 2.151 HB3 :: 2.236 HG2 :: 1.644 HG3 :: 1.565 HD2 :: 3.350 HD3 :: 3.101 HE :: 7.669 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.014 NE :: 84.323 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.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N79 1.N79 C Shift Assignments>> C :: 176.320 CA :: 61.578 CB :: 62.987 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.627 HA :: 4.230 HB2 :: 3.992 HB3 :: 3.992 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 :: 115.327 Ave N Shift Values>> N :: 116.3(3.95) 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 :: 175.366 CA :: 60.993 CB :: 63.427 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.442 HA :: 4.239 HB2 :: 3.255 HB3 :: 3.563 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 :: 114.328 Ave N Shift Values>> N :: 116.3(3.95) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 W 0.44 C Shift Assignments>> C :: 174.140 CA :: 55.890 CB :: 32.181 CD2 :: 118.866 CE1 :: 138.810 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.959 HA :: 4.979 HB2 :: 3.267 HB3 :: 2.913 HD2 :: 6.970 HE1 :: 7.899 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 :: 114.815 ND1 :: 224.341 NE2 :: 170.130 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.42 I 0.01 HN Overlap>> 1.Q74 1.Q74 C Shift Assignments>> C :: 175.721 CA :: 53.328 CB :: 16.201 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.103 HA :: 4.276 HB1 :: 1.483 HB2 :: 1.483 HB3 :: 1.483 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.271 Ave N Shift Values>> N :: 123.23(3.7) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 174.731 CA :: 60.977 CB :: 34.769 CG1 :: 20.462 CG2 :: 21.666 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 :: 6.577 HA :: 4.414 HB :: 1.550 HG11 :: 0.716 HG12 :: 0.716 HG13 :: 0.716 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.382 Ave N Shift Values>> N :: 121.02(4.96) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 K 0.19 Q 0.12 M 0.11 I 0.03 C Shift Assignments>> C :: 172.857 CA :: 55.255 CB :: 29.607 CG :: 36.017 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 :: 8.134 HA :: 4.323 HB2 :: 2.050 HB3 :: 1.908 HG2 :: 2.052 HG3 :: 2.106 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.091 Ave N Shift Values>> N :: 120.68(3.68) 1.F51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.95 Y 0.04 C Shift Assignments>> C :: 171.890 CA :: 52.226 CB :: 39.351 CD1 :: 130.575 CD2 :: 130.575 CE1 :: 127.062 CE2 :: 127.062(S) CZ :: 130.658 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 :: 9.039 HA :: 6.166 HB2 :: 2.696 HB3 :: 3.762 HD1 :: 7.227 HD2 :: 7.227 HE1 :: 7.005 HE2 :: 7.005 HZ :: 7.269 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 :: 130.948 Ave N Shift Values>> N :: 120.69(4.18) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 L 0.25 M 0.11 K 0.01 C Shift Assignments>> C :: 176.017 CA :: 50.140 CB :: 22.293 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.874 HA :: 5.235 HB1 :: 1.652 HB2 :: 1.652 HB3 :: 1.652 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.267 Ave N Shift Values>> N :: 123.23(3.7) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 174.080 CA :: 60.982 CB :: 34.788 CG1 :: 20.632 CG2 :: 22.259 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 :: 7.933 HA :: 4.882 HB :: 1.646 HG11 :: 0.727 HG12 :: 0.727 HG13 :: 0.727 HG21 :: 0.590 HG22 :: 0.590 HG23 :: 0.590 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 :: 120.017 Ave N Shift Values>> N :: 121.02(4.96) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.01 C Shift Assignments>> C :: 175.065 CA :: 60.052 CB :: 36.148 CG1 :: 21.369 CG2 :: 21.797 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.318 HA :: 5.105 HB :: 2.008 HG11 :: 0.880 HG12 :: 0.880 HG13 :: 0.880 HG21 :: 1.088 HG22 :: 1.088 HG23 :: 1.088 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.810 Ave N Shift Values>> N :: 121.02(4.96) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 A 0.06 HN Overlap>> 1.G60 1.G60 C Shift Assignments>> C :: 172.615 CA :: 57.813 CB :: 69.230 CG2 :: 21.321 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 :: 9.178 HA :: 5.242 HB :: 3.928 HG1 :: 6.714 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 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 :: 116.104 Ave N Shift Values>> N :: 115.7(5.05) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.05 A 0.04 C Shift Assignments>> C :: 174.344 CA :: 50.635 CB :: 45.204 CG :: 26.128 CD1 :: 27.476 CD2 :: 22.809 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 :: 8.547 HA :: 4.555 HB2 :: 1.179 HB3 :: 0.733 HG :: 1.198 HD11 :: 0.353 HD12 :: 0.353 HD13 :: 0.353 HD21 :: 0.225 HD22 :: 0.225 HD23 :: 0.225 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.942 Ave N Shift Values>> N :: 121.98(4.07) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.549 CA :: 64.967 CB :: 31.647 CG :: 27.791 CD :: 50.321 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 :: 4.224 HB2 :: 2.550 HB3 :: 2.406 HG2 :: 2.702 HG3 :: 2.363 HD2 :: 3.602 HD3 :: 3.113 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.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.261 CA :: 57.898 CB :: 64.605 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.374 HA :: 4.433 HB2 :: 3.836 HB3 :: 3.544 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 :: 105.425 Ave N Shift Values>> N :: 116.3(3.95) 1.I59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.760 CA :: 60.640 CB :: 38.395 CG1 :: 25.325 CG2 :: 17.564 CD1 :: 14.810 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 :: 9.410 HA :: 4.938 HB :: 1.887 HG12 :: 0.768 HG13 :: 1.213 HG21 :: -0.283(S) HG22 :: -0.283(S) HG23 :: -0.283(S) HD11 :: 0.350 HD12 :: 0.350 HD13 :: 0.350 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 :: 121.569 Ave N Shift Values>> N :: 121.6(4.72) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 HN Overlap>> 1.T55 1.T55 C Shift Assignments>> C :: 174.555 CA :: 46.383 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.280 HA2 :: 3.910 HA3 :: 3.713 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.108 Ave N Shift Values>> N :: 109.91(4.29) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.29 L 0.13 F 0.08 Y 0.08 K 0.03 C Shift Assignments>> C :: 175.722 CA :: 53.354 CB :: 40.254 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 :: 8.680 HA :: 4.632 HB2 :: 2.725 HB3 :: 2.670 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.738 Ave N Shift Values>> N :: 120.73(4.2) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.11 C Shift Assignments>> C :: 174.833 CA :: 50.623 CB :: 18.335 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.267 HA :: 4.570 HB1 :: 1.503 HB2 :: 1.503 HB3 :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.951 Ave N Shift Values>> N :: 123.23(3.7) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.299 CA :: 62.141 CB :: 31.884 CG :: 28.067 CD :: 50.594 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 :: 4.596 HB2 :: 2.460 HB3 :: 1.957 HG2 :: 2.237 HG3 :: 2.085 HD2 :: 4.038 HD3 :: 3.741 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.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.2 K 0.01 G 0.01 C Shift Assignments>> C :: 177.515 CA :: 57.939 CB :: 41.786 CG :: 26.918 CD1 :: 23.519 CD2 :: 26.361 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.012 HA :: 3.887 HB2 :: 1.731 HB3 :: 1.400 HG :: 1.354 HD11 :: 0.684 HD12 :: 0.684 HD13 :: 0.684 HD21 :: 0.634 HD22 :: 0.634 HD23 :: 0.634 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.566 Ave N Shift Values>> N :: 121.98(4.07) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 E 0.29 K 0.06 Q 0.01 C Shift Assignments>> C :: 178.239 CA :: 60.061 CB :: 27.779 CG :: 36.657 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 :: 9.831 HA :: 3.942 HB2 :: 2.046 HB3 :: 1.951 HG2 :: 2.546 HG3 :: 2.156 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 :: 117.039 Ave N Shift Values>> N :: 120.68(3.68) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.21 D 0.14 F 0.14 Y 0.11 R 0.09 N 0.02 I 0.01 C Shift Assignments>> C :: 177.146 CA :: 56.398 CB :: 41.592 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 :: 6.896 HA :: 4.511 HB2 :: 2.757 HB3 :: 2.676 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.380 Ave N Shift Values>> N :: 120.73(4.2) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.E151 1.V139 1.E151 1.V139 C Shift Assignments>> C :: 177.291 CA :: 61.885 CB :: 40.612 CD1 :: 131.321 CD2 :: 131.321 CE1 :: 130.769 CE2 :: 130.769 CZ :: 128.941 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 :: 8.043 HA :: 3.841 HB2 :: 3.224 HB3 :: 2.930 HD1 :: 6.942 HD2 :: 6.942 HE1 :: 6.918 HE2 :: 6.918 HZ :: 6.614 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 :: 120.491 Ave N Shift Values>> N :: 120.69(4.18) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.252 CA :: 67.062 CB :: 67.341 CG2 :: 21.986 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 :: 8.879 HA :: 3.600 HB :: 4.185 HG1 :: 6.007 HG21 :: 1.215 HG22 :: 1.215 HG23 :: 1.215 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.308 Ave N Shift Values>> N :: 115.7(5.05) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.1 C Shift Assignments>> C :: 178.007 CA :: 58.222 CB :: 41.191 CG :: 27.152 CD1 :: 22.739 CD2 :: 25.343 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 :: 6.955 HA :: 3.937 HB2 :: 1.867 HB3 :: 1.709 HG :: 1.444 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 HD21 :: 0.959 HD22 :: 0.959 HD23 :: 0.959 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 :: 124.696 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 0.6 R 0.36 G 0.01 M 0.01 HN Overlap>> 1.Q32 1.Q32 C Shift Assignments>> C :: 179.507 CA :: 59.677 CB :: 32.333 CG :: 26.041 CD :: 29.003 CE :: 42.077 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 :: 7.727 HA :: 3.734 HB2 :: 1.667 HB3 :: 1.547 HG2 :: 1.509 HG3 :: 1.277 HD2 :: 1.543 HD3 :: 1.543 HE2 :: 2.914 HE3 :: 2.914 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.676 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.86 R 0.07 A 0.04 G 0.01 HN Overlap>> 1.L146 1.L146 C Shift Assignments>> C :: 176.350 CA :: 57.334 CB :: 41.531 CG :: 25.649 CD1 :: 22.335 CD2 :: 25.960 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 :: 8.245 HA :: 3.421 HB2 :: 1.318 HB3 :: 0.549 HG :: 0.234(S) HD11 :: 0.094 HD12 :: 0.094 HD13 :: 0.094 HD21 :: 0.322 HD22 :: 0.322 HD23 :: 0.322 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 :: 120.520 Ave N Shift Values>> N :: 121.98(4.07) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.37 I 0.03 C Shift Assignments>> C :: 180.697 CA :: 55.191 CB :: 18.252 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.112 HA :: 3.753 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.694 Ave N Shift Values>> N :: 123.23(3.7) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.21 K 0.1 C Shift Assignments>> C :: 178.902 CA :: 59.684 CB :: 29.905 CG :: 28.383 CD :: 43.601 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 :: 8.061 HA :: 3.731 HB2 :: 1.730 HB3 :: 1.730 HG2 :: 1.878 HG3 :: 1.506 HD2 :: 3.075 HD3 :: 3.075 HE :: 7.215 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 :: 116.776 NE :: 85.117 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.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.33 E 0.14 R 0.11 I 0.04 M 0.02 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 178.233 CA :: 58.535 CB :: 28.063 CG :: 33.875 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 :: 8.112 HA :: 4.035 HB2 :: 2.167 HB3 :: 2.167 HG2 :: 2.433 HG3 :: 2.353 HE21 :: 6.552 HE22 :: 7.126 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 :: 120.267 NE2 :: 109.056 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.595 CA :: 55.736 CB :: 29.162 CD1 :: 122.527 CE3 :: 119.824 CZ2 :: 114.611 CZ3 :: 121.388 CH2 :: 124.320 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.136 HA :: 4.895 HB2 :: 3.444 HB3 :: 3.057 HD1 :: 6.791 HE1 :: 10.219 HE3 :: 7.321 HZ2 :: 7.256 HZ3 :: 6.823 HH2 :: 7.053 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 :: 118.438 NE1 :: 126.261 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.11 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.270 CA :: 44.819 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.646 HA2 :: 4.291 HA3 :: 4.291 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.085 Ave N Shift Values>> N :: 109.91(4.29) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.644 CA :: 62.667 CB :: 32.339 CG1 :: 20.768 CG2 :: 21.286 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.404 HA :: 4.154 HB :: 2.018 HG11 :: 0.888 HG12 :: 0.888 HG13 :: 0.888 HG21 :: 1.053 HG22 :: 1.053 HG23 :: 1.053 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 :: 122.361 Ave N Shift Values>> N :: 121.02(4.96) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.607 CA :: 46.383 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.916 HA2 :: 3.915 HA3 :: 3.915 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.18 Y 0.12 F 0.09 L 0.03 E 0.03 M 0.01 HN Overlap>> 1.S45 1.S45 C Shift Assignments>> CA :: 53.666 CB :: 38.417 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 :: 8.537 HA :: 4.523 HB2 :: 3.043 HB3 :: 2.722 HD21 :: 6.812 HD22 :: 7.523 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 :: 115.279 ND2 :: 111.517 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.42 M 0.39 Q 0.11 K 0.05 I 0.01 C Shift Assignments>> C :: 176.017 CA :: 54.916 CB :: 31.431 CG :: 35.694 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 :: 7.669 HA :: 4.554 HB2 :: 2.106 HB3 :: 1.924 HG2 :: 2.413 HG3 :: 2.315 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) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.25 M 0.08 C Shift Assignments>> C :: 176.711 CA :: 57.310 CB :: 32.343 CG :: 25.031 CD :: 29.880 CE :: 41.500 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 :: 8.629 HA :: 3.972 HB2 :: 1.720 HB3 :: 1.720 HG2 :: 1.454 HG3 :: 1.308 HD2 :: 1.631 HD3 :: 1.524 HE2 :: 2.868 HE3 :: 2.790 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 :: 120.788 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.15 Y 0.1 F 0.07 E 0.03 L 0.02 M 0.01 C Shift Assignments>> CA :: 53.142 CB :: 38.119 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 :: 8.678 HA :: 4.745 HB2 :: 2.932 HB3 :: 2.864 HD21 :: 7.079 HD22 :: 7.795 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 :: 121.239 ND2 :: 112.200 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.23 D 0.16 N 0.14 L 0.07 I 0.04 E 0.03 C Shift Assignments>> CA :: 56.068 CB :: 39.046 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.538 HB2 :: 2.818 HB3 :: 2.818 HD21 :: 7.683 HD22 :: 7.149 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>> ND2 :: 113.235 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.16 Y 0.05 F 0.04 L 0.02 E 0.01 C Shift Assignments>> C :: 174.142 CA :: 51.841 CB :: 38.427 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 :: 8.448 HA :: 4.860 HB2 :: 3.101 HB3 :: 2.950 HD21 :: 7.392 HD22 :: 6.771 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 :: 116.882 ND2 :: 111.145 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 R 0.05 C Shift Assignments>> C :: 171.392 CA :: 45.139 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.512 HA2 :: 4.825 HA3 :: 3.754 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.460 Ave N Shift Values>> N :: 109.91(4.29) 1.L86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.6 L 0.37 C Shift Assignments>> C :: 173.198 CA :: 53.957 CB :: 46.007 CG :: 27.442 CD1 :: 25.018 CD2 :: 25.327 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 :: 8.817 HA :: 4.924 HB2 :: 0.914 HB3 :: 1.369 HG :: 1.070 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 HD21 :: -0.259(S) HD22 :: -0.259(S) HD23 :: -0.259(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.621 Ave N Shift Values>> N :: 121.98(4.07) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.26 A 0.02 R 0.01 C Shift Assignments>> C :: 174.463 CA :: 53.345 CB :: 46.106 CG :: 27.767 CD1 :: 24.108 CD2 :: 25.991 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 :: 8.814 HA :: 5.626 HB2 :: 1.673 HB3 :: 1.621 HG :: 1.531 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 HD21 :: 0.722 HD22 :: 0.722 HD23 :: 0.722 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.032 Ave N Shift Values>> N :: 121.98(4.07) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 A 0.19 L 0.18 R 0.01 C Shift Assignments>> C :: 173.660 CA :: 53.486 CB :: 45.127 CG :: 27.141 CD1 :: 21.810 CD2 :: 24.974 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 :: 8.883 HA :: 4.871 HB2 :: 2.022 HB3 :: 1.466 HG :: 1.056 HD11 :: -0.060 HD12 :: -0.060 HD13 :: -0.060 HD21 :: 0.722 HD22 :: 0.722 HD23 :: 0.722 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.289 Ave N Shift Values>> N :: 121.98(4.07) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R2 1.R2 C Shift Assignments>> C :: 173.461 CA :: 60.113 CB :: 34.437 CG1 :: 21.088 CG2 :: 21.689 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 :: 8.550 HA :: 5.025 HB :: 1.792 HG11 :: 0.539 HG12 :: 0.539 HG13 :: 0.539 HG21 :: 0.781 HG22 :: 0.781 HG23 :: 0.781 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.947 Ave N Shift Values>> N :: 121.02(4.96) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.24 R 0.02 C Shift Assignments>> C :: 174.437 CA :: 53.055 CB :: 45.445 CG :: 27.775 CD1 :: 24.711 CD2 :: 25.926 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 :: 8.616 HA :: 4.985 HB2 :: 1.201 HB3 :: 1.397 HG :: 1.055 HD11 :: 0.347 HD12 :: 0.347 HD13 :: 0.347 HD21 :: 0.330 HD22 :: 0.330 HD23 :: 0.330 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.295 Ave N Shift Values>> N :: 121.98(4.07) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.144 CA :: 60.381 CB :: 32.353 CG1 :: 23.185 CG2 :: 22.583 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 :: 8.487 HA :: 4.445 HB :: 1.663 HG11 :: 0.922 HG12 :: 0.922 HG13 :: 0.922 HG21 :: 0.525 HG22 :: 0.525 HG23 :: 0.525 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.454 Ave N Shift Values>> N :: 121.02(4.96) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 R 0.23 G 0.2 A 0.01 C Shift Assignments>> C :: 178.697 CA :: 58.548 CB :: 43.221 CG :: 26.562 CD1 :: 22.005 CD2 :: 25.824 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 :: 8.710 HA :: 3.561 HB2 :: 0.871 HB3 :: 2.078 HG :: 1.355 HD11 :: 0.301 HD12 :: 0.301 HD13 :: 0.301 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.097 Ave N Shift Values>> N :: 121.98(4.07) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 E 0.24 F 0.17 N 0.08 I 0.07 M 0.04 D 0.04 K 0.01 L 0.01 C Shift Assignments>> C :: 177.659 CA :: 56.702 CB :: 37.532 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 :: 8.384 HA :: 4.195 HB2 :: 2.926 HB3 :: 2.926 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.444 Ave N Shift Values>> N :: 120.73(4.2) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 M 0.26 K 0.2 E 0.17 R 0.02 C Shift Assignments>> C :: 174.618 CA :: 55.798 CB :: 30.518 CG :: 33.875 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 :: 7.330 HA :: 4.327 HB2 :: 2.297 HB3 :: 1.530 HG2 :: 2.408 HG3 :: 2.212 HE21 :: 6.608 HE22 :: 8.196 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 :: 117.338 NE2 :: 111.932 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.28 G 0.27 K 0.03 HN Overlap>> 1.D8 1.D8 C Shift Assignments>> C :: 174.252 CA :: 57.018 CB :: 27.649 CG :: 27.767 CD :: 43.919 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 :: 7.969 HA :: 3.382 HB2 :: 1.676 HB3 :: 1.729 HG2 :: 2.151 HG3 :: 1.928 HD2 :: 3.292 HD3 :: 3.245 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.177 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.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 K 0.2 R 0.11 C Shift Assignments>> C :: 173.779 CA :: 54.595 CB :: 35.964 CG :: 27.156 CD :: 43.621 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 :: 7.205 HA :: 4.900 HB2 :: 1.707 HB3 :: 1.377 HG2 :: 1.802 HG3 :: 1.565 HD2 :: 3.301 HD3 :: 3.169 HE :: 7.183 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.249 NE :: 84.359 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.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 A 0.24 I 0.01 C Shift Assignments>> C :: 173.911 CA :: 57.366 CB :: 35.703 CG1 :: 21.988 CG2 :: 20.774 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 :: 8.330 HA :: 5.626 HB :: 1.835 HG11 :: 0.926 HG12 :: 0.926 HG13 :: 0.926 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 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 :: 115.575 Ave N Shift Values>> N :: 121.02(4.96) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.25 G 0.06 C Shift Assignments>> C :: 173.780 CA :: 55.506 CB :: 34.471 CG :: 28.097 CD :: 42.723 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 :: 8.369 HA :: 4.440 HB2 :: 1.696 HB3 :: 1.416 HG2 :: 1.357 HG3 :: 1.870 HD2 :: 3.284 HD3 :: 3.041 HE :: 7.108 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.845 NE :: 84.578 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.F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.88 G 0.11 C Shift Assignments>> C :: 175.305 CA :: 56.725 CB :: 42.657 CD1 :: 133.164 CD2 :: 133.164 CE1 :: 131.104 CE2 :: 131.104 CZ :: 128.810 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 :: 8.846 HA :: 5.766 HB2 :: 2.896 HB3 :: 2.660 HD1 :: 7.113 HD2 :: 7.113 HE1 :: 7.175 HE2 :: 7.175 HZ :: 6.965 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.142 Ave N Shift Values>> N :: 120.69(4.18) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 E 0.28 Q 0.05 C Shift Assignments>> C :: 176.105 CA :: 54.590 CB :: 33.248 CG :: 35.647 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.377 HA :: 4.651 HB2 :: 1.752 HB3 :: 2.007 HG2 :: 2.193 HG3 :: 1.795 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 :: 122.092 Ave N Shift Values>> N :: 120.68(3.68) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.549 CA :: 60.827 CB :: 70.125 CG2 :: 22.583 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 :: 8.931 HA :: 4.634 HB :: 4.085 HG21 :: 1.135 HG22 :: 1.135 HG23 :: 1.135 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.580 Ave N Shift Values>> N :: 115.7(5.05) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 R 0.05 C Shift Assignments>> C :: 175.578 CA :: 45.139 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.937 HA2 :: 4.097 HA3 :: 4.097 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.223 Ave N Shift Values>> N :: 109.91(4.29) 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 :: 178.022 CA :: 60.537 CB :: 38.132 CD1 :: 133.194 CD2 :: 133.194 CE1 :: 118.255 CE2 :: 118.255 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 :: 8.487 HA :: 4.383 HB2 :: 3.182 HB3 :: 3.085 HD1 :: 7.210 HD2 :: 7.210 HE1 :: 6.878 HE2 :: 6.878 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.317 Ave N Shift Values>> N :: 120.79(4.69) 1.G104 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 :: 175.422 CA :: 46.033 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.841 HA2 :: 3.943 HA3 :: 3.815 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.832 Ave N Shift Values>> N :: 109.91(4.29) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 R 0.17 G 0.07 A 0.01 C Shift Assignments>> C :: 177.619 CA :: 53.969 CB :: 42.992 CG :: 27.302 CD1 :: 26.078 CD2 :: 24.103 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 :: 7.733 HA :: 4.509 HB2 :: 1.723 HB3 :: 1.608 HG :: 1.666 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.449 Ave N Shift Values>> N :: 121.98(4.07) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.3 K 0.12 Q 0.06 M 0.03 C Shift Assignments>> C :: 176.943 CA :: 59.693 CB :: 29.300 CG :: 36.003 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 :: 7.445 HA :: 3.724 HB2 :: 1.951 HB3 :: 1.951 HG2 :: 2.273 HG3 :: 2.351 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.786 Ave N Shift Values>> N :: 120.68(3.68) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 174.593 CA :: 45.487 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.286 HA2 :: 3.780 HA3 :: 3.462 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.117 Ave N Shift Values>> N :: 109.91(4.29) 1.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.062 CA :: 57.928 CB :: 39.943 CD1 :: 132.407 CD2 :: 132.407 CE1 :: 118.389 CE2 :: 118.389 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 :: 7.176 HA :: 4.538 HB2 :: 2.899 HB3 :: 2.656 HD1 :: 6.973 HD2 :: 6.973 HE1 :: 6.805 HE2 :: 6.805 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 :: 117.148 Ave N Shift Values>> N :: 120.79(4.69) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 G 0.14 R 0.11 A 0.09 C Shift Assignments>> C :: 170.380 CA :: 50.930 CB :: 42.394 CG :: 25.935 CD1 :: 27.448 CD2 :: 23.503 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 :: 7.853 HA :: 4.599 HB2 :: 1.542 HB3 :: 1.151 HG :: 1.374 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 HD21 :: 0.679 HD22 :: 0.679 HD23 :: 0.679 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 :: 116.987 Ave N Shift Values>> N :: 121.98(4.07) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.658 CA :: 62.506 CB :: 32.036 CG :: 27.499 CD :: 49.701 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 :: 4.559 HB2 :: 2.428 HB3 :: 2.094 HG2 :: 2.004 HG3 :: 1.846 HD2 :: 3.415 HD3 :: 3.195 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.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 K 0.21 Y 0.19 L 0.13 D 0.07 I 0.05 R 0.05 C Shift Assignments>> C :: 178.814 CA :: 57.942 CB :: 41.140 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.825 HA :: 4.235 HB2 :: 2.726 HB3 :: 2.648 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 :: 121.317 Ave N Shift Values>> N :: 120.73(4.2) 1.G112 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 :: 176.210 CA :: 46.946 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.911 HA2 :: 3.875 HA3 :: 3.875 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.688 Ave N Shift Values>> N :: 109.91(4.29) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.28 K 0.02 G 0.02 C Shift Assignments>> C :: 178.819 CA :: 57.619 CB :: 42.208 CG :: 27.306 CD1 :: 24.112 CD2 :: 26.344 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 :: 7.088 HA :: 4.227 HB2 :: 1.762 HB3 :: 1.640 HG :: 1.527 HD11 :: 0.968 HD12 :: 0.968 HD13 :: 0.968 HD21 :: 0.968 HD22 :: 0.968 HD23 :: 0.968 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 :: 123.651 Ave N Shift Values>> N :: 121.98(4.07) 1.L114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.82 A 0.15 R 0.01 C Shift Assignments>> C :: 179.016 CA :: 57.925 CB :: 40.259 CG :: 25.716 CD1 :: 25.946 CD2 :: 20.766 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 :: 7.783 HA :: 3.681 HB2 :: 1.800 HB3 :: 1.142 HG :: 1.214 HD11 :: 0.488 HD12 :: 0.488 HD13 :: 0.488 HD21 :: -0.218(S) HD22 :: -0.218(S) HD23 :: -0.218(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.624 Ave N Shift Values>> N :: 121.98(4.07) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.062 CA :: 61.929 CB :: 62.717 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.594 HA :: 4.258 HB2 :: 3.995 HB3 :: 4.055 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 :: 112.988 Ave N Shift Values>> N :: 116.3(3.95) 1.R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.16 K 0.09 L 0.03 C Shift Assignments>> C :: 178.107 CA :: 59.484 CB :: 29.572 CG :: 27.145 CD :: 43.483 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 :: 7.529 HA :: 4.164 HB2 :: 2.051 HB3 :: 2.051 HG2 :: 1.830 HG3 :: 1.677 HD2 :: 3.202 HD3 :: 3.202 HE :: 7.449 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 :: 123.299 NE :: 84.376 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.I117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.177 CA :: 66.464 CB :: 37.817 CG1 :: 29.324 CG2 :: 17.398 CD1 :: 13.174 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 :: 8.188 HA :: 3.592 HB :: 2.143 HG12 :: 0.893 HG13 :: 1.892 HG21 :: 0.953 HG22 :: 0.953 HG23 :: 0.953 HD11 :: 0.618 HD12 :: 0.618 HD13 :: 0.618 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 :: 121.062 Ave N Shift Values>> N :: 121.6(4.72) 1.I118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.142 CA :: 66.141 CB :: 39.030 CG1 :: 29.143 CG2 :: 17.101 CD1 :: 14.352 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 :: 8.375 HA :: 3.657 HB :: 2.094 HG12 :: 2.206 HG13 :: 1.196 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 HD11 :: 1.090 HD12 :: 1.090 HD13 :: 1.090 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 :: 120.005 Ave N Shift Values>> N :: 121.6(4.72) 1.H119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.67 H 0.32 C Shift Assignments>> C :: 176.007 CA :: 60.909 CB :: 29.623 CD2 :: 121.585 CE1 :: 137.463 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 :: 8.355 HA :: 4.075 HB2 :: 3.319 HB3 :: 3.191 HD2 :: 7.330 HE1 :: 8.186 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.039 ND1 :: 192.453 NE2 :: 186.903 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.19 F 0.16 K 0.16 Y 0.14 N 0.05 R 0.03 I 0.01 C Shift Assignments>> C :: 177.983 CA :: 55.803 CB :: 40.877 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.261 HA :: 4.594 HB2 :: 2.849 HB3 :: 2.660 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.792 Ave N Shift Values>> N :: 120.73(4.2) 1.R121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.35 L 0.03 G 0.01 C Shift Assignments>> C :: 176.008 CA :: 54.846 CB :: 30.501 CG :: 26.681 CD :: 41.779 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 :: 8.016 HA :: 4.723 HB2 :: 1.921 HB3 :: 2.156 HG2 :: 1.636 HG3 :: 1.680 HD2 :: 3.217 HD3 :: 3.217 HE :: 7.779 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 :: 112.861 NE :: 82.763 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.M122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 I 0.16 A 0.05 C Shift Assignments>> C :: 176.102 CA :: 58.217 CB :: 34.189 CG :: 30.197 CE :: 17.721 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.279 HA :: 4.353 HB2 :: 2.176 HB3 :: 1.394 HG2 :: 2.668 HG3 :: 2.409 HE1 :: 2.148 HE2 :: 2.148 HE3 :: 2.148 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.050 Ave N Shift Values>> N :: 120.1(3.88) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E137 1.E137 C Shift Assignments>> C :: 174.008 CA :: 65.645 CB :: 35.078 CG1 :: 29.584 CG2 :: 17.245 CD1 :: 11.930 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 :: 8.335 HA :: 3.483 HB :: 2.167 HG12 :: 1.556 HG13 :: 1.428 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 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 :: 119.224 Ave N Shift Values>> N :: 121.6(4.72) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.948 CA :: 66.452 CB :: 30.967 CG :: 28.409 CD :: 50.005 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 :: 4.015 HB2 :: 2.132 HB3 :: 1.145 HG2 :: 1.821 HG3 :: 1.752 HD2 :: 2.756 HD3 :: 3.630 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.H125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.59 W 0.4 C Shift Assignments>> C :: 178.028 CA :: 58.139 CB :: 30.445 CD2 :: 117.944 CE1 :: 139.598 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 :: 6.562 HA :: 4.434 HB2 :: 2.669 HB3 :: 3.521 HD2 :: 7.308 HE1 :: 7.763 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 :: 112.975 ND1 :: 238.085 NE2 :: 168.216 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 C Shift Assignments>> C :: 179.692 CA :: 56.983 CB :: 36.002 CD1 :: 130.455 CD2 :: 130.455 CE1 :: 130.480 CE2 :: 130.480 CZ :: 128.116 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 :: 7.814 HA :: 3.738 HB2 :: 3.194 HB3 :: 3.509 HD1 :: 7.090 HD2 :: 7.090 HE1 :: 7.378 HE2 :: 7.378 HZ :: 6.937 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 :: 120.258 Ave N Shift Values>> N :: 120.69(4.18) 1.R127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 K 0.13 G 0.12 L 0.01 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> C :: 177.381 CA :: 59.281 CB :: 29.903 CG :: 27.748 CD :: 43.305 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 :: 8.576 HA :: 4.082 HB2 :: 1.886 HB3 :: 1.886 HG2 :: 1.816 HG3 :: 1.699 HD2 :: 3.187 HD3 :: 3.187 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 :: 119.724 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.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.250 CA :: 57.904 CB :: 63.961 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.133 HA :: 4.629 HB2 :: 4.073 HB3 :: 3.958 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.426 Ave N Shift Values>> N :: 116.3(3.95) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.263 CA :: 44.829 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.816 HA2 :: 4.188 HA3 :: 3.236 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.813 Ave N Shift Values>> N :: 109.91(4.29) 1.N130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 M 0.06 Y 0.04 D 0.03 E 0.03 F 0.02 P 0.01 K 0.01 HN Overlap>> 1.E24 1.E24 C Shift Assignments>> C :: 175.767 CA :: 50.912 CB :: 36.647 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 :: 7.892 HA :: 5.089 HB2 :: 3.226 HB3 :: 2.723 HD21 :: 6.929 HD22 :: 7.949 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 :: 121.810 ND2 :: 112.961 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.995 CA :: 61.936 CB :: 38.733 CD1 :: 132.769 CD2 :: 132.769 CE1 :: 117.960 CE2 :: 117.960 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 :: 7.381 HA :: 4.084 HB2 :: 2.565 HB3 :: 2.801 HD1 :: 6.491 HD2 :: 6.491 HE1 :: 6.439 HE2 :: 6.439 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 :: 119.982 Ave N Shift Values>> N :: 120.79(4.69) 1.A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.27 I 0.06 V 0.01 HN Overlap>> 1.R41 1.R41 C Shift Assignments>> C :: 180.112 CA :: 55.861 CB :: 18.321 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.942 HA :: 3.747 HB1 :: 1.548 HB2 :: 1.548 HB3 :: 1.548 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.133 Ave N Shift Values>> N :: 123.23(3.7) 1.E133 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.4 K 0.22 Q 0.17 I 0.14 M 0.03 R 0.01 C Shift Assignments>> C :: 178.810 CA :: 58.820 CB :: 28.995 CG :: 35.359 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 :: 8.084 HA :: 3.950 HB2 :: 1.791 HB3 :: 1.245(S) HG2 :: 1.998 HG3 :: 1.755 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.706 Ave N Shift Values>> N :: 120.68(3.68) 1.G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 P 0.34 A 0.12 N 0.05 D 0.02 L 0.01 C Shift Assignments>> C :: 175.305 CA :: 48.146 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.903 HA2 :: 3.860 HA3 :: 3.718 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.782 Ave N Shift Values>> N :: 109.91(4.29) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.12 G 0.03 C Shift Assignments>> C :: 177.775 CA :: 58.246 CB :: 42.396 CG :: 26.543 CD1 :: 25.620 CD2 :: 23.172 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 :: 8.510 HA :: 4.127 HB2 :: 1.945 HB3 :: 1.213 HG :: 1.898 HD11 :: 0.636 HD12 :: 0.636 HD13 :: 0.636 HD21 :: 0.743 HD22 :: 0.743 HD23 :: 0.743 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 :: 120.268 Ave N Shift Values>> N :: 121.98(4.07) 1.S136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.943 CA :: 61.952 CB :: 62.475 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.990 HA :: 3.902 HB2 :: 4.001 HB3 :: 3.896 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.210 Ave N Shift Values>> N :: 116.3(3.95) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.3 K 0.06 M 0.05 Q 0.01 HN Overlap>> 1.I123 1.I123 C Shift Assignments>> C :: 179.161 CA :: 58.846 CB :: 29.912 CG :: 36.915 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 :: 8.439 HA :: 4.071 HB2 :: 2.239 HB3 :: 2.069 HG2 :: 2.379 HG3 :: 2.379 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.187 Ave N Shift Values>> N :: 120.68(3.68) 1.G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 P 0.11 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 174.281 CA :: 47.724 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.101 HA2 :: 3.955 HA3 :: 3.741 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.244 Ave N Shift Values>> N :: 109.91(4.29) 1.V139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.F67 1.F67 1.V145 1.V145 C Shift Assignments>> C :: 177.764 CA :: 67.070 CB :: 31.720 CG1 :: 21.058 CG2 :: 22.577 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 :: 7.953 HA :: 3.810 HB :: 2.184 HG11 :: 0.741 HG12 :: 0.741 HG13 :: 0.741 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 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 :: 120.557 Ave N Shift Values>> N :: 121.02(4.96) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.08 G 0.01 C Shift Assignments>> C :: 178.492 CA :: 57.872 CB :: 41.797 CG :: 27.025 CD1 :: 23.799 CD2 :: 24.708 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 :: 8.310 HA :: 4.033 HB2 :: 1.626 HB3 :: 1.722 HG :: 1.506 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.860 HD22 :: 0.860 HD23 :: 0.860 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 :: 119.487 Ave N Shift Values>> N :: 121.98(4.07) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 L 0.02 V 0.01 I 0.01 HN Overlap>> 1.Q143 1.Q143 C Shift Assignments>> C :: 180.706 CA :: 54.872 CB :: 19.458 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.453 HA :: 4.202 HB1 :: 1.541 HB2 :: 1.541 HB3 :: 1.541 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.499 Ave N Shift Values>> N :: 123.23(3.7) 1.V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.400 CA :: 67.081 CB :: 31.420 CG1 :: 20.766 CG2 :: 22.901 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 :: 7.826 HA :: 3.289 HB :: 2.360 HG11 :: 0.536 HG12 :: 0.536 HG13 :: 0.536 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.178 Ave N Shift Values>> N :: 121.02(4.96) 1.Q143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 Q 0.27 E 0.11 R 0.1 P 0.07 I 0.07 M 0.03 HN Overlap>> 1.A141 1.A141 C Shift Assignments>> C :: 177.389 CA :: 60.384 CB :: 28.658 CG :: 33.568 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 :: 8.445 HA :: 3.629 HB2 :: 2.611 HB3 :: 2.006 HG2 :: 2.469 HG3 :: 2.341 HE21 :: 7.853 HE22 :: 6.777 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 :: 120.520 NE2 :: 110.628 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.31 E 0.17 R 0.09 I 0.06 M 0.02 C Shift Assignments>> C :: 180.102 CA :: 58.861 CB :: 28.080 CG :: 34.150 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 :: 8.615 HA :: 4.112 HB2 :: 2.373 HB3 :: 1.983 HG2 :: 2.690 HG3 :: 2.402 HE21 :: 7.450 HE22 :: 6.975 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 :: 116.366 NE2 :: 111.090 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V139 1.V139 C Shift Assignments>> C :: 179.543 CA :: 66.155 CB :: 31.660 CG1 :: 21.374 CG2 :: 22.594 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 :: 7.908 HA :: 3.712 HB :: 2.126 HG11 :: 0.913 HG12 :: 0.913 HG13 :: 0.913 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 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 :: 120.590 Ave N Shift Values>> N :: 121.02(4.96) 1.L146 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.78 A 0.14 R 0.06 HN Overlap>> 1.E151 1.E151 1.L71 1.L71 C Shift Assignments>> C :: 178.928 CA :: 57.617 CB :: 40.356 CG :: 25.942 CD1 :: 26.853 CD2 :: 21.171 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 :: 8.158 HA :: 3.661 HB2 :: 1.417 HB3 :: -0.036(S) HG :: 1.681 HD11 :: 0.535 HD12 :: 0.535 HD13 :: 0.535 HD21 :: 0.434 HD22 :: 0.434 HD23 :: 0.434 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 :: 120.454 Ave N Shift Values>> N :: 121.98(4.07) 1.D147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.16 L 0.13 K 0.07 N 0.05 I 0.05 C Shift Assignments>> C :: 178.344 CA :: 56.704 CB :: 40.115 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 :: 8.936 HA :: 4.518 HB2 :: 2.819 HB3 :: 2.746 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.449 Ave N Shift Values>> N :: 120.73(4.2) 1.G148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 174.952 CA :: 45.894 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.768 HA2 :: 4.102 HA3 :: 3.940 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.205 Ave N Shift Values>> N :: 109.91(4.29) 1.S149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.704 CA :: 59.440 CB :: 64.014 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.924 HA :: 4.499 HB2 :: 3.883 HB3 :: 3.883 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 :: 115.088 Ave N Shift Values>> N :: 116.3(3.95) 1.L150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.07 A 0.02 G 0.01 C Shift Assignments>> C :: 177.292 CA :: 55.479 CB :: 41.903 CG :: 26.986 CD1 :: 24.858 CD2 :: 23.331 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 :: 7.957 HA :: 4.264 HB2 :: 1.560 HB3 :: 1.560 HG :: 1.519 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 HD21 :: 0.713 HD22 :: 0.713 HD23 :: 0.713 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.876 Ave N Shift Values>> N :: 121.98(4.07) 1.E151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 K 0.16 M 0.12 Q 0.11 I 0.07 HN Overlap>> 1.F67 1.F67 1.L146 1.L146 C Shift Assignments>> C :: 176.404 CA :: 56.758 CB :: 29.901 CG :: 35.982 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 :: 8.105 HA :: 4.164 HB2 :: 1.916 HB3 :: 1.916 HG2 :: 2.213 HG3 :: 2.143 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 :: 120.408 Ave N Shift Values>> N :: 120.68(3.68) 1.H152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.16 R 0.15 W 0.14 E 0.14 K 0.12 M 0.07 I 0.01 C Shift Assignments>> C :: 174.949 CA :: 55.816 CB :: 29.896 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 :: 8.267 HA :: 4.574 HB2 :: 3.018 HB3 :: 3.086 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 :: 118.968 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H153 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H154 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H155 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H156 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H157 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 149 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 152 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 157 #Suspicious: 0 C Shift Results: #Consistent: 666 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1088 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 0 N Shift Results: #Consistent: 169 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D23 HA = 5.651(S), Expected = 4.61, Std = 0.3100, ChiSquare = 7.8490e-04 1.F51 CE2 = 127.062(S), Expected = 130.60, Std = 0.9700, ChiSquare = 2.6488e-04 1.I59 HG21 = -0.283(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.8810e-04 1.I59 HG22 = -0.283(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.8810e-04 1.I59 HG23 = -0.283(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.8810e-04 1.L71 HG = 0.234(S), Expected = 1.54, Std = 0.3300, ChiSquare = 7.5714e-05 1.L86 HD21 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.L86 HD22 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.L86 HD23 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.L114 HD21 = -0.218(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.7788e-04 1.L114 HD22 = -0.218(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.7788e-04 1.L114 HD23 = -0.218(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.7788e-04 1.E133 HB3 = 1.245(S), Expected = 2.04, Std = 0.2300, ChiSquare = 5.4720e-04 1.L146 HB3 = -0.036(S), Expected = 1.57, Std = 0.3600, ChiSquare = 8.1536e-06