Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.E1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.09 K 0.06 Q 0.06 I 0.03 C Shift Assignments>> C :: 176.341 CA :: 56.761 CB :: 30.200 CG :: 36.227 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 4.205 HB2 :: 1.931 HB3 :: 2.009 HG2 :: 2.275 HG3 :: 2.275 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.999 Ave N Shift Values>> N :: 120.67(3.48) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.408 CA :: 52.441 CB :: 19.216 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.387 HA :: 4.287 HB1 :: 1.351 HB2 :: 1.351 HB3 :: 1.351 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.626 Ave N Shift Values>> N :: 123.23(3.54) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 HN Overlap>> 1.E92 1.E92 C Shift Assignments>> C :: 178.238 CA :: 52.760 CB :: 19.220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.316 HA :: 4.304 HB1 :: 1.377 HB2 :: 1.377 HB3 :: 1.377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.829 Ave N Shift Values>> N :: 123.23(3.54) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.962 CA :: 45.278 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.378 HA2 :: 3.942 HA3 :: 4.004 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.336 Ave N Shift Values>> N :: 109.67(3.87) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.07 K 0.06 I 0.04 Q 0.04 C Shift Assignments>> C :: 176.492 CA :: 57.135 CB :: 30.082 CG :: 36.433 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.586 HA :: 4.297 HB2 :: 2.026 HB3 :: 2.026 HG2 :: 2.251 HG3 :: 2.251 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.795 Ave N Shift Values>> N :: 120.67(3.48) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.37 R 0.17 G 0.01 L 0.01 C Shift Assignments>> C :: 173.959 CA :: 56.133 CB :: 30.491 CG :: 24.877 CD :: 42.398 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.566 HA :: 4.303 HB2 :: 1.789 HB3 :: 1.881 HG2 :: 1.308 HG3 :: 1.434 HD2 :: 2.980 HD3 :: 2.980 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.996 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.28 M 0.24 HN Overlap>> 1.E74 1.E74 C Shift Assignments>> C :: 176.887 CA :: 55.761 CB :: 32.247 CG :: 36.833 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.214 HA :: 4.708 HB2 :: 1.766 HB3 :: 2.027 HG2 :: 2.131 HG3 :: 2.131 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.648 Ave N Shift Values>> N :: 120.67(3.48) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.26 R 0.18 C 0.07 F 0.05 Y 0.03 D 0.02 C Shift Assignments>> C :: 173.863 CA :: 56.924 CB :: 44.544 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.391 HA :: 4.752 HB2 :: 2.734 HB3 :: 3.161 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.305 Ave N Shift Values>> N :: 120.17(4.64) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.29 M 0.29 Q 0.02 HN Overlap>> 1.C123 1.C123 C Shift Assignments>> C :: 175.697 CA :: 55.212 CB :: 31.956 CG :: 36.298 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.588 HA :: 4.718 HB2 :: 1.939 HB3 :: 2.061 HG2 :: 2.240 HG3 :: 2.309 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.959 Ave N Shift Values>> N :: 120.67(3.48) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.16 R 0.03 G 0.02 C Shift Assignments>> C :: 175.356 CA :: 53.098 CB :: 42.471 CG :: 26.712 CD1 :: 25.338 CD2 :: 24.992 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.650 HA :: 4.532 HB2 :: 1.903 HB3 :: 1.767 HG :: 1.988 HD11 :: 1.015 HD12 :: 1.015 HD13 :: 1.015 HD21 :: 1.069 HD22 :: 1.069 HD23 :: 1.069 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.338 Ave N Shift Values>> N :: 121.86(3.9) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 174.742 CA :: 62.191 CB :: 32.206 CG :: 27.167 CD :: 49.805 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.698 HB2 :: 2.061 HB3 :: 2.243 HG2 :: 1.855 HG3 :: 1.749 HD2 :: 3.933 HD3 :: 3.365 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.45 R 0.08 C Shift Assignments>> C :: 176.773 CA :: 57.360 CB :: 31.449 CG :: 24.764 CD :: 29.555 CE :: 41.818 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.078 HA :: 4.197 HB2 :: 1.659 HB3 :: 1.708 HG2 :: 1.330 HG3 :: 1.330 HD2 :: 1.461 HD3 :: 1.461 HE2 :: 2.969 HE3 :: 2.969 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.655 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 C Shift Assignments>> C :: 175.581 CA :: 59.647 CB :: 41.326 CG1 :: 26.532 CG2 :: 18.128 CD1 :: 13.855 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.711 HA :: 4.437 HB :: 1.953 HG12 :: 1.187 HG13 :: 1.425 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.802 Ave N Shift Values>> N :: 121.46(4.28) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.27 D 0.14 K 0.07 F 0.05 C 0.04 G 0.03 Y 0.03 HN Overlap>> 1.M104 1.M104 C Shift Assignments>> C :: 177.758 CA :: 54.802 CB :: 43.158 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.518 HA :: 4.306 HB2 :: 2.586 HB3 :: 2.646 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.829 Ave N Shift Values>> N :: 120.65(3.86) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 176.584 CA :: 63.869 CB :: 31.414 CG1 :: 18.625 CG2 :: 20.043 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.081 HA :: 3.902 HB :: 1.997 HG11 :: 0.415 HG12 :: 0.415 HG13 :: 0.415 HG21 :: 0.642 HG22 :: 0.642 HG23 :: 0.642 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.307 Ave N Shift Values>> N :: 121.14(4.54) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 H 0.35 C 0.27 C Shift Assignments>> C :: 172.463 CA :: 56.227 CB :: 28.206 CD2 :: 120.329 CE1 :: 136.186 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.047 HA :: 4.331 HB2 :: 2.275 HB3 :: 2.415 HD2 :: 6.685 HE1 :: 8.064 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.266 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 G 0.32 C 0.23 R 0.04 C Shift Assignments>> C :: 176.107 CA :: 54.959 CB :: 44.638 CG :: 27.421 CD1 :: 25.162 CD2 :: 25.713 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.658 HA :: 4.547 HB2 :: 1.449 HB3 :: 1.792 HG :: 1.399 HD11 :: 0.577 HD12 :: 0.577 HD13 :: 0.577 HD21 :: 0.414 HD22 :: 0.414 HD23 :: 0.414 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.762 Ave N Shift Values>> N :: 121.86(3.9) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 175.210 CA :: 59.447 CB :: 33.469 CG1 :: 20.587 CG2 :: 20.992 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.194 HA :: 4.551 HB :: 2.046 HG11 :: 0.797 HG12 :: 0.797 HG13 :: 0.797 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.718 Ave N Shift Values>> N :: 121.14(4.54) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> C :: 176.376 CA :: 61.542 CB :: 31.720 CG :: 27.298 CD :: 50.955 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.799 HB2 :: 1.824 HB3 :: 2.015 HG2 :: 2.042 HG3 :: 1.940 HD2 :: 3.612 HD3 :: 3.854 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 D 0.17 L 0.12 C 0.11 N 0.07 I 0.03 K 0.01 HN Overlap>> 1.Y88 1.Y88 C Shift Assignments>> C :: 176.531 CA :: 56.367 CB :: 39.951 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.949 HA :: 4.088 HB2 :: 2.565 HB3 :: 2.646 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.409 Ave N Shift Values>> N :: 120.65(3.86) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 C 0.33 G 0.08 K 0.05 C Shift Assignments>> C :: 174.675 CA :: 54.844 CB :: 31.581 CG :: 26.916 CD :: 43.417 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.483 HA :: 4.442 HB2 :: 1.783 HB3 :: 1.868 HG2 :: 1.674 HG3 :: 1.567 HD2 :: 3.236 HD3 :: 3.192 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.454 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.38 R 0.15 C Shift Assignments>> C :: 174.401 CA :: 56.516 CB :: 32.544 CG :: 25.008 CD :: 29.008 CE :: 42.237 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.925 HA :: 4.227 HB2 :: 1.591 HB3 :: 1.876 HG2 :: 1.305 HG3 :: 1.305 HD2 :: 1.651 HD3 :: 1.651 HE2 :: 2.946 HE3 :: 3.011 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.082 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.49 C 0.43 R 0.06 C Shift Assignments>> C :: 174.860 CA :: 54.717 CB :: 35.513 CG :: 24.726 CD :: 29.636 CE :: 41.587 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.873 HA :: 4.445 HB2 :: 0.700(S) HB3 :: 1.550 HG2 :: 0.862 HG3 :: 1.145 HD2 :: 1.502 HD3 :: 1.502 HE2 :: 2.710 HE3 :: 2.759 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.272 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 D 0.19 L 0.17 Y 0.17 C 0.09 K 0.08 N 0.04 I 0.02 C Shift Assignments>> C :: 176.341 CA :: 56.341 CB :: 40.667 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.354 HA :: 4.459 HB2 :: 2.511 HB3 :: 2.702 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.549 Ave N Shift Values>> N :: 120.65(3.86) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 Q 0.46 E 0.04 C Shift Assignments>> C :: 173.563 CA :: 54.811 CB :: 31.852 CG :: 33.412 CD :: 180.200 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.140 HA :: 4.852 HB2 :: 1.715 HB3 :: 1.944 HG2 :: 2.190 HG3 :: 2.144 HE21 :: 6.703 HE22 :: 7.547 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.309 NE2 :: 111.544 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 174.120 CA :: 56.834 CB :: 41.014 CD1 :: 132.554 CD2 :: 132.554 CE1 :: 118.594 CE2 :: 118.594 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.786 HA :: 4.433 HB2 :: 2.425 HB3 :: 2.778 HD1 :: 6.893 HD2 :: 6.893 HE1 :: 6.682 HE2 :: 6.682 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.211 Ave N Shift Values>> N :: 120.52(4.2) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.21 K 0.17 C 0.16 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 177.589 CA :: 55.115 CB :: 33.513 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.257 HA :: 4.459 HB2 :: 1.680 HB3 :: 1.829 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.484 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> 1.V31 1.V31 C Shift Assignments>> C :: 177.646 CA :: 65.317 CB :: 30.825 CG1 :: 21.411 CG2 :: 22.479 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.306 HA :: 3.272 HB :: 1.774 HG11 :: 0.746 HG12 :: 0.746 HG13 :: 0.746 HG21 :: 0.733 HG22 :: 0.733 HG23 :: 0.733 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.301 Ave N Shift Values>> N :: 121.14(4.54) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.26 R 0.17 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 174.652 CA :: 44.320 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.838 HA2 :: 3.491 HA3 :: 4.342 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.098 Ave N Shift Values>> N :: 109.67(3.87) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.1 E 0.08 M 0.02 C Shift Assignments>> C :: 174.787 CA :: 58.680 CB :: 31.238 CG :: 38.847 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.144 HA :: 4.148 HB2 :: 2.001 HB3 :: 2.194 HG2 :: 2.161 HG3 :: 2.516 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.536 Ave N Shift Values>> N :: 120.67(3.48) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 HN Overlap>> 1.V28 1.V28 C Shift Assignments>> C :: 175.216 CA :: 61.383 CB :: 33.778 CG1 :: 21.330 CG2 :: 20.891 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.277 HA :: 4.376 HB :: 1.798 HG11 :: 0.847 HG12 :: 0.847 HG13 :: 0.847 HG21 :: 0.793 HG22 :: 0.793 HG23 :: 0.793 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.347 Ave N Shift Values>> N :: 121.14(4.54) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 G 0.33 R 0.21 L 0.08 C Shift Assignments>> C :: 174.042 CA :: 55.189 CB :: 44.462 CG :: 29.072 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.091 HA :: 4.362 HB2 :: 0.951 HB3 :: 1.005 HG :: 0.894 HD11 :: 0.242 HD12 :: 0.242 HD13 :: 0.242 HD21 :: 0.183 HD22 :: 0.183 HD23 :: 0.183 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.599 Ave N Shift Values>> N :: 121.86(3.9) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.33 R 0.1 C Shift Assignments>> C :: 175.452 CA :: 54.500 CB :: 34.507 CG :: 25.294 CD :: 29.035 CE :: 41.779 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.801 HA :: 4.918 HB2 :: 1.774 HB3 :: 1.420 HG2 :: 1.353 HG3 :: 1.270 HD2 :: 1.604 HD3 :: 1.604 HE2 :: 2.891 HE3 :: 2.891 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.398 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 F 0.06 Y 0.04 C Shift Assignments>> C :: 175.056 CA :: 57.103 CB :: 45.267 CE1 :: 129.990 CE2 :: 129.990 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.318 HA :: 5.306 HB2 :: 2.419 HB3 :: 2.943 HE1 :: 6.980 HE2 :: 6.980 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.469 Ave N Shift Values>> N :: 120.45(4.18) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.675 CA :: 57.156 CB :: 65.940 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.226 HA :: 4.576 HB2 :: 3.919 HB3 :: 3.919 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.307 Ave N Shift Values>> N :: 116.28(3.52) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.16 C 0.08 C Shift Assignments>> C :: 175.243 CA :: 55.495 CB :: 46.380 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.822 HA :: 5.589 HB2 :: 2.711 HB3 :: 2.882 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.474 Ave N Shift Values>> N :: 120.17(4.64) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 K 0.33 C Shift Assignments>> C :: 172.097 CA :: 56.087 CB :: 32.311 CG :: 26.058 CD :: 27.169 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.598 HA :: 4.323 HB2 :: 2.101 HB3 :: 1.565 HG2 :: 1.534 HG3 :: 1.698 HD2 :: 1.782 HD3 :: 1.885 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.457 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.136 CA :: 64.488 CB :: 31.743 CG :: 27.886 CD :: 50.350 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.403 HB2 :: 1.867 HB3 :: 2.359 HG2 :: 2.164 HG3 :: 2.070 HD2 :: 3.607 HD3 :: 3.890 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.524 CA :: 44.428 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.743 HA2 :: 3.406 HA3 :: 4.137 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.436 Ave N Shift Values>> N :: 109.67(3.87) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.2 Y 0.15 G 0.02 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> C :: 174.365 CA :: 56.820 CB :: 42.445 CD1 :: 130.627 CD2 :: 130.627 CE1 :: 130.851 CE2 :: 130.851 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.035 HA :: 4.734 HB2 :: 3.202 HB3 :: 2.481 HD1 :: 6.623 HD2 :: 6.623 HE1 :: 6.896 HE2 :: 6.896 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.326 Ave N Shift Values>> N :: 120.45(4.18) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 172.966 CA :: 61.264 CB :: 71.225 CG2 :: 21.551 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.554 HB :: 3.717 HG21 :: 1.162 HG22 :: 1.162 HG23 :: 1.162 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 174.613 CA :: 61.606 CB :: 39.358 CG1 :: 29.651 CG2 :: 16.256 CD1 :: 14.115 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.420 HA :: 4.546 HB :: 1.703 HG12 :: 1.037 HG13 :: 1.386 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 HD11 :: 0.589 HD12 :: 0.589 HD13 :: 0.589 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.443 Ave N Shift Values>> N :: 121.46(4.28) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.3 C Shift Assignments>> C :: 175.333 CA :: 62.532 CB :: 33.044 CG2 :: 21.106 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.903 HA :: 4.194 HB :: 1.884 HG21 :: 0.746 HG22 :: 0.746 HG23 :: 0.746 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.054 Ave N Shift Values>> N :: 121.14(4.54) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.3 D 0.08 K 0.08 F 0.06 Y 0.03 C 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 170.092 CA :: 42.934 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.602 HA2 :: 3.702 HA3 :: 4.634 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.757 Ave N Shift Values>> N :: 109.67(3.87) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 175.288 CA :: 62.910 CB :: 32.305 CG :: 27.779 CD :: 49.952 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.418 HB2 :: 2.089 HB3 :: 2.335 HG2 :: 2.039 HG3 :: 2.168 HD2 :: 3.582 HD3 :: 3.332 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.23 C 0.13 C Shift Assignments>> C :: 174.719 CA :: 53.394 CB :: 38.617 CG :: 177.545 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.215 HA :: 4.604 HB2 :: 2.835 HB3 :: 3.255 HD21 :: 7.012 HD22 :: 7.670 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.367 ND2 :: 112.304 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.297 CA :: 56.602 CB :: 65.662 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.466 HA :: 5.603 HB2 :: 3.677 HB3 :: 3.677 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.165 Ave N Shift Values>> N :: 116.28(3.52) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 HN Overlap>> 1.S56 1.S56 C Shift Assignments>> C :: 172.734 CA :: 59.758 CB :: 35.450 CG1 :: 21.996 CG2 :: 20.819 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.811 HA :: 4.765 HB :: 2.125 HG11 :: 0.861 HG12 :: 0.861 HG13 :: 0.861 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.618 Ave N Shift Values>> N :: 121.14(4.54) 1.Q49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 Q 0.44 N 0.01 E 0.01 C Shift Assignments>> C :: 173.580 CA :: 53.310 CB :: 31.961 CG :: 33.470 CD :: 178.839 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.509 HA :: 5.203 HB2 :: 1.745 HB3 :: 1.893 HG2 :: 1.363(S) HG3 :: 1.363 HE21 :: 6.520 HE22 :: 6.842 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.639 NE2 :: 110.662 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 C 0.18 Y 0.12 E 0.1 F 0.09 M 0.05 D 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 173.236 CA :: 54.534 CB :: 37.453 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.097 HA :: 4.668 HB2 :: 2.409 HB3 :: 2.997 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.287 Ave N Shift Values>> N :: 120.17(4.64) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 176.808 CA :: 57.071 CB :: 40.604 CD1 :: 134.247 CD2 :: 134.247 CE1 :: 117.842 CE2 :: 117.842 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.438 HA :: 4.648 HB2 :: 1.750 HB3 :: 2.427 HD1 :: 7.097 HD2 :: 7.097 HE1 :: 6.866 HE2 :: 6.866 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 131.197 Ave N Shift Values>> N :: 120.52(4.2) 1.H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 C 0.37 H 0.24 C Shift Assignments>> C :: 175.028 CA :: 59.922 CB :: 29.883 CD2 :: 119.749 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.106 HA :: 4.136 HB2 :: 3.155 HB3 :: 3.235 HD2 :: 7.205 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.211 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.37 C 0.22 C Shift Assignments>> C :: 174.624 CA :: 54.946 CB :: 38.092 CD1 :: 131.929 CD2 :: 131.929 CE1 :: 131.876 CE2 :: 131.876 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 5.997 HA :: 4.795 HB2 :: 2.625 HB3 :: 3.473 HD1 :: 6.789 HD2 :: 6.789 HE1 :: 7.014 HE2 :: 7.014 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 109.454 Ave N Shift Values>> N :: 120.45(4.18) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.29 G 0.23 D 0.04 F 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 172.740 CA :: 43.946 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.322 HA2 :: 3.739 HA3 :: 4.697 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.511 Ave N Shift Values>> N :: 109.67(3.87) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.24 A 0.05 G 0.04 C Shift Assignments>> C :: 178.335 CA :: 54.578 CB :: 42.737 CG :: 26.260 CD1 :: 22.952 CD2 :: 22.984 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.401 HA :: 5.018 HB2 :: 1.178 HB3 :: 1.809 HG :: 0.864 HD11 :: 0.523 HD12 :: 0.523 HD13 :: 0.523 HD21 :: 0.573 HD22 :: 0.573 HD23 :: 0.573 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.393 Ave N Shift Values>> N :: 121.86(3.9) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.V48 1.V48 C Shift Assignments>> C :: 174.611 CA :: 56.605 CB :: 65.771 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.892 HA :: 4.930 HB2 :: 3.848 HB3 :: 3.848 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.654 Ave N Shift Values>> N :: 116.28(3.52) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.54 P 0.45 C Shift Assignments>> C :: 173.146 CA :: 63.286 CB :: 33.616 CG :: 25.292 CD :: 50.158 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.102 HB2 :: 2.396 HB3 :: 2.515 HG2 :: 1.838 HG3 :: 2.110 HD2 :: 3.705 HD3 :: 3.959 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 F 0.11 K 0.1 N 0.09 Y 0.09 C 0.06 C Shift Assignments>> C :: 175.019 CA :: 54.819 CB :: 40.979 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.635 HA :: 4.434 HB2 :: 2.512 HB3 :: 2.646 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.077 Ave N Shift Values>> N :: 120.65(3.86) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.43 R 0.01 C Shift Assignments>> C :: 175.516 CA :: 53.911 CB :: 40.356 CG :: 28.777 CD1 :: 25.499 CD2 :: 25.854 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.736 HA :: 3.839 HB2 :: 1.198 HB3 :: 1.478 HG :: 1.674 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.844 Ave N Shift Values>> N :: 121.86(3.9) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 C 0.46 C Shift Assignments>> C :: 173.397 CA :: 62.143 CB :: 33.090 CG :: 27.008 CD :: 49.297 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.630 HB2 :: 1.617 HB3 :: 2.006 HG2 :: 1.855 HG3 :: 1.191 HD2 :: 2.602 HD3 :: 3.259 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.46 C Shift Assignments>> C :: 174.636 CA :: 59.126 CB :: 41.690 CG1 :: 26.723 CG2 :: 18.262 CD1 :: 14.332 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.790 HA :: 4.469 HB :: 1.992 HG12 :: 1.094 HG13 :: 1.188 HG21 :: 0.871 HG22 :: 0.871 HG23 :: 0.871 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 108.123 Ave N Shift Values>> N :: 121.46(4.28) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.23 G 0.15 D 0.13 C 0.04 F 0.03 K 0.02 Y 0.01 C Shift Assignments>> C :: 174.364 CA :: 53.550 CB :: 43.680 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.219 HA :: 5.327 HB2 :: 2.657 HB3 :: 2.838 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.684 Ave N Shift Values>> N :: 120.17(4.64) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.4 R 0.18 C Shift Assignments>> C :: 175.791 CA :: 54.937 CB :: 35.956 CG :: 25.385 CD :: 29.150 CE :: 41.973 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.235 HA :: 4.822 HB2 :: 1.488 HB3 :: 1.771 HG2 :: 1.355 HG3 :: 1.355 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.900 HE3 :: 3.010 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.814 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 I 0.09 K 0.05 M 0.03 Q 0.02 C Shift Assignments>> C :: 176.133 CA :: 58.287 CB :: 29.855 CG :: 36.553 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.240 HA :: 3.596 HB2 :: 1.735 HB3 :: 1.735 HG2 :: 1.859 HG3 :: 1.742 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.037 Ave N Shift Values>> N :: 120.67(3.48) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.55 C 0.36 E 0.08 C Shift Assignments>> C :: 174.769 CA :: 55.146 CB :: 29.951 CG :: 33.685 CD :: 180.127 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.829 HA :: 4.328 HB2 :: 1.709 HB3 :: 1.763 HG2 :: 2.081 HG3 :: 2.140 HE21 :: 6.721 HE22 :: 7.402 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.607 NE2 :: 111.792 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.32 HN Overlap>> 1.F40 1.F40 C Shift Assignments>> C :: 175.889 CA :: 60.014 CB :: 34.098 CG1 :: 21.982 CG2 :: 18.762 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.031 HA :: 4.259 HB :: 1.636 HG11 :: 0.385 HG12 :: 0.385 HG13 :: 0.385 HG21 :: 0.624 HG22 :: 0.624 HG23 :: 0.624 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.377 Ave N Shift Values>> N :: 121.14(4.54) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.44 C 0.36 E 0.18 C Shift Assignments>> C :: 175.052 CA :: 55.808 CB :: 30.385 CG :: 34.163 CD :: 180.616 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.930 HA :: 4.272 HB2 :: 2.015 HB3 :: 1.616 HG2 :: 2.292 HG3 :: 2.387 HE21 :: 6.760 HE22 :: 7.400 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.151 NE2 :: 112.364 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.791 CA :: 57.649 CB :: 64.683 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.940 HA :: 4.699 HB2 :: 3.850 HB3 :: 3.915 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.361 Ave N Shift Values>> N :: 116.28(3.52) 1.C69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.21 R 0.2 C 0.09 F 0.06 Y 0.03 D 0.01 C Shift Assignments>> C :: 175.354 CA :: 57.687 CB :: 44.470 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.265 HA :: 4.578 HB2 :: 2.076 HB3 :: 2.732 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.465 Ave N Shift Values>> N :: 120.17(4.64) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.26 R 0.17 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 170.124 CA :: 44.316 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.190 HA2 :: 3.991 HA3 :: 4.622 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.767 Ave N Shift Values>> N :: 109.67(3.87) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.47 C Shift Assignments>> CA :: 61.751 CB :: 30.727 CG :: 27.963 CD :: 49.420 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.723 HB2 :: 1.841 HB3 :: 2.521 HG2 :: 2.170 HG3 :: 2.225 HD2 :: 3.635 HD3 :: 3.888 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.P72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.76 P 0.23 C Shift Assignments>> CA :: 60.594 CB :: 30.033 CG :: 26.983 CD :: 50.278 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.472 HB2 :: 0.455(S) HB3 :: 0.528(S) HG2 :: 1.332 HG3 :: 1.643 HD2 :: 3.590 HD3 :: 3.558 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> C :: 176.712 CA :: 61.773 CB :: 32.443 CG :: 27.220 CD :: 49.900 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.312 HB2 :: 2.215 HB3 :: 1.742 HG2 :: 1.855 HG3 :: 1.855 HD2 :: 2.768 HD3 :: 2.899 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.11 K 0.04 Q 0.04 I 0.02 HN Overlap>> 1.E7 1.V93 1.E7 1.V93 C Shift Assignments>> C :: 174.747 CA :: 56.497 CB :: 30.396 CG :: 36.419 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.282 HA :: 4.091 HB2 :: 1.825 HB3 :: 1.825 HG2 :: 2.231 HG3 :: 2.056 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.720 Ave N Shift Values>> N :: 120.67(3.48) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.17 L 0.16 R 0.11 A 0.01 C Shift Assignments>> C :: 175.579 CA :: 52.388 CB :: 44.384 CG :: 26.687 CD1 :: 28.102 CD2 :: 24.432 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.759 HA :: 4.242 HB2 :: 0.736 HB3 :: 1.398 HG :: 0.928 HD11 :: 0.392 HD12 :: 0.392 HD13 :: 0.392 HD21 :: 0.486 HD22 :: 0.486 HD23 :: 0.486 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.043 Ave N Shift Values>> N :: 121.86(3.9) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.35 C Shift Assignments>> C :: 177.913 CA :: 56.420 CB :: 40.903 CG :: 26.712 CD1 :: 24.610 CD2 :: 23.531 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.488 HA :: 3.932 HB2 :: 1.435 HB3 :: 1.435 HG :: 1.498 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.072 Ave N Shift Values>> N :: 121.86(3.9) 1.N77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 E 0.21 Q 0.16 N 0.07 D 0.02 C Shift Assignments>> C :: 172.318 CA :: 55.559 CB :: 36.053 CG :: 179.109 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.000 HA :: 3.681 HB2 :: 1.053(S) HB3 :: 2.222 HD21 :: 6.980 HD22 :: 7.494 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.275 ND2 :: 118.092 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 171.923 CA :: 45.667 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.690 HA2 :: 3.722 HA3 :: 4.164 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.512 Ave N Shift Values>> N :: 109.67(3.87) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.52 G 0.35 C 0.07 N 0.04 C Shift Assignments>> C :: 172.947 CA :: 51.968 CB :: 43.409 CG :: 178.462 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.507 HA :: 4.926 HB2 :: 2.045 HB3 :: 2.345 HD21 :: 6.970 HD22 :: 7.044 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.594 ND2 :: 113.307 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 176.739 CA :: 60.738 CB :: 32.854 CG1 :: 22.293 CG2 :: 20.300 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.180 HA :: 4.008 HB :: 1.792 HG11 :: 0.444 HG12 :: 0.444 HG13 :: 0.444 HG21 :: 0.583 HG22 :: 0.583 HG23 :: 0.583 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.993 Ave N Shift Values>> N :: 121.14(4.54) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.38 R 0.18 C Shift Assignments>> C :: 176.427 CA :: 58.682 CB :: 33.938 CG :: 25.857 CD :: 29.380 CE :: 42.065 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.408 HA :: 4.134 HB2 :: 1.573 HB3 :: 1.813 HG2 :: 1.348 HG3 :: 1.348 HD2 :: 1.533 HD3 :: 1.533 HE2 :: 2.815 HE3 :: 2.815 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.547 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 M 0.31 E 0.28 Q 0.03 C Shift Assignments>> C :: 175.226 CA :: 54.854 CB :: 31.871 CG :: 36.106 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.785 HA :: 4.474 HB2 :: 2.113 HB3 :: 1.897 HG2 :: 2.232 HG3 :: 2.232 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.574 Ave N Shift Values>> N :: 120.67(3.48) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.42 R 0.1 C Shift Assignments>> C :: 177.566 CA :: 56.849 CB :: 32.564 CG :: 24.828 CD :: 29.469 CE :: 42.200 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.356 HA :: 4.263 HB2 :: 1.768 HB3 :: 1.768 HG2 :: 1.304 HG3 :: 1.494 HD2 :: 1.688 HD3 :: 1.688 HE2 :: 2.956 HE3 :: 3.017 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.608 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 174.594 CA :: 61.852 CB :: 70.441 CG2 :: 22.695 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.311 HA :: 4.288 HB :: 4.410 HG21 :: 1.297 HG22 :: 1.297 HG23 :: 1.297 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.650 Ave N Shift Values>> N :: 115.42(4.75) 1.K85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 R 0.03 G 0.01 A 0.01 C Shift Assignments>> C :: 176.010 CA :: 54.836 CB :: 34.392 CG :: 24.646 CD :: 24.655(S) CE :: 41.830 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.010 HA :: 4.618 HB2 :: 1.291 HB3 :: 1.686 HG2 :: 0.970 HG3 :: 0.970 HD2 :: 1.195 HD3 :: 1.195 HE2 :: 2.440 HE3 :: 2.583 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.337 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.4 M 0.06 I 0.06 K 0.03 Q 0.01 C Shift Assignments>> C :: 175.797 CA :: 57.974 CB :: 30.414 CG :: 36.755 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.402 HA :: 4.226 HB2 :: 1.931 HB3 :: 2.109 HG2 :: 2.259 HG3 :: 2.329 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.991 Ave N Shift Values>> N :: 120.67(3.48) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.29 E 0.17 Q 0.01 HN Overlap>> 1.K109 1.K109 C Shift Assignments>> C :: 173.913 CA :: 55.336 CB :: 33.156 CG :: 36.214 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.186 HA :: 4.826 HB2 :: 1.841 HB3 :: 1.841 HG2 :: 2.054 HG3 :: 2.123 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.655 Ave N Shift Values>> N :: 120.67(3.48) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.24 G 0.01 HN Overlap>> 1.D20 1.D20 C Shift Assignments>> C :: 174.517 CA :: 56.944 CB :: 42.178 CD1 :: 133.101 CD2 :: 133.101 CE1 :: 118.714 CE2 :: 118.714 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.934 HA :: 4.437 HB2 :: 2.748 HB3 :: 2.641 HD1 :: 7.099 HD2 :: 7.099 HE1 :: 6.882 HE2 :: 6.882 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.437 Ave N Shift Values>> N :: 120.52(4.2) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.27 R 0.18 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.699 CA :: 44.275 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.154 HA2 :: 3.625 HA3 :: 4.159 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.553 Ave N Shift Values>> N :: 109.67(3.87) 1.H90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 W 0.31 H 0.3 C Shift Assignments>> C :: 177.600 CA :: 58.875 CB :: 31.465 CD2 :: 118.717 CE1 :: 138.195 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.343 HA :: 4.043 HB2 :: 3.030 HB3 :: 2.765 HD2 :: 6.999 HE1 :: 7.725 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.315 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.411 CA :: 61.548 CB :: 63.436 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.206 HA :: 3.780 HB2 :: 3.634 HB3 :: 4.048 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.684 Ave N Shift Values>> N :: 116.28(3.52) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 I 0.11 E 0.05 M 0.02 HN Overlap>> 1.A3 1.A3 C Shift Assignments>> C :: 175.169 CA :: 59.458 CB :: 31.438 CG :: 38.894 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.270 HA :: 4.358 HB2 :: 2.413 HB3 :: 2.481 HG2 :: 2.325 HG3 :: 2.325 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.824 Ave N Shift Values>> N :: 120.67(3.48) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.35 HN Overlap>> 1.E74 1.E74 C Shift Assignments>> C :: 176.111 CA :: 60.121 CB :: 35.644 CG1 :: 20.554 CG2 :: 21.670 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.271 HA :: 5.466 HB :: 1.955 HG11 :: 0.974 HG12 :: 0.974 HG13 :: 0.974 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.830 Ave N Shift Values>> N :: 121.14(4.54) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 173.402 CA :: 61.564 CB :: 35.298 CG1 :: 22.879 CG2 :: 21.613 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.552 HA :: 4.168 HB :: 1.317 HG11 :: 0.370 HG12 :: 0.370 HG13 :: 0.370 HG21 :: 0.344 HG22 :: 0.344 HG23 :: 0.344 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.465 Ave N Shift Values>> N :: 121.14(4.54) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.24 E 0.16 C Shift Assignments>> C :: 174.965 CA :: 54.658 CB :: 33.028 CG :: 36.985 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.282 HA :: 5.180 HB2 :: 1.808 HB3 :: 1.871 HG2 :: 2.139 HG3 :: 2.299 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.702 Ave N Shift Values>> N :: 120.67(3.48) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 G 0.29 C 0.18 C Shift Assignments>> C :: 175.346 CA :: 57.371 CB :: 43.822 CD1 :: 132.428 CD2 :: 132.428 CE1 :: 118.279 CE2 :: 118.279 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.769 HA :: 5.169 HB2 :: 2.281 HB3 :: 2.638 HD1 :: 6.581 HD2 :: 6.581 HE1 :: 6.279 HE2 :: 6.279 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.209 Ave N Shift Values>> N :: 120.52(4.2) 1.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 173.809 CA :: 56.400 CB :: 41.110 CD1 :: 133.787 CD2 :: 133.787 CE1 :: 117.675 CE2 :: 117.675 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.765 HA :: 4.818 HB2 :: 2.897 HB3 :: 3.115 HD1 :: 6.838 HD2 :: 6.838 HE1 :: 6.653 HE2 :: 6.653 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.941 Ave N Shift Values>> N :: 120.52(4.2) 1.C98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.19 N 0.15 F 0.1 Y 0.08 C 0.06 K 0.06 C Shift Assignments>> C :: 174.469 CA :: 54.177 CB :: 40.766 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.971 HA :: 5.009 HB2 :: 2.685 HB3 :: 3.050 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.777 Ave N Shift Values>> N :: 120.17(4.64) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.39 C Shift Assignments>> C :: 171.940 CA :: 52.234 CB :: 35.843 CG :: 175.506 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.014 HA :: 4.819 HB2 :: 2.452 HB3 :: 2.977 HD21 :: 6.861 HD22 :: 7.442 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.197 ND2 :: 109.092 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 176.692 CA :: 64.686 CB :: 31.730 CG :: 27.881 CD :: 50.318 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.460 HB2 :: 1.843 HB3 :: 2.413 HG2 :: 2.070 HG3 :: 2.160 HD2 :: 3.604 HD3 :: 3.900 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.26 L 0.12 G 0.06 K 0.03 C Shift Assignments>> C :: 174.978 CA :: 58.877 CB :: 27.465 CG :: 27.799 CD :: 43.127 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.589 HA :: 3.810 HB2 :: 1.804 HB3 :: 2.190 HG2 :: 1.527 HG3 :: 1.527 HD2 :: 3.149 HD3 :: 3.227 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 113.720 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.35 C 0.14 C Shift Assignments>> C :: 174.739 CA :: 56.904 CB :: 41.791 CD1 :: 131.718 CD2 :: 131.718 CE1 :: 131.368 CE2 :: 131.368 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.207 HA :: 4.990 HB2 :: 2.631 HB3 :: 3.389 HD1 :: 6.898 HD2 :: 6.898 HE1 :: 7.207 HE2 :: 7.207 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.098 Ave N Shift Values>> N :: 120.45(4.18) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.34 C 0.13 A 0.03 C Shift Assignments>> C :: 175.375 CA :: 53.335 CB :: 44.965 CG :: 26.798 CD1 :: 23.422 CD2 :: 24.921 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.750 HA :: 4.675 HB2 :: 1.543 HB3 :: 1.543 HG :: 1.497 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 HD21 :: 0.922 HD22 :: 0.922 HD23 :: 0.922 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.154 Ave N Shift Values>> N :: 121.86(3.9) 1.M104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.42 A 0.07 HN Overlap>> 1.D14 1.D14 C Shift Assignments>> C :: 176.010 CA :: 56.276 CB :: 34.601 CG :: 32.497 CE :: 16.984 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.591 HA :: 4.855 HB2 :: 2.015 HB3 :: 2.015 HG2 :: 2.338 HG3 :: 2.338 HE1 :: 1.879 HE2 :: 1.879 HE3 :: 1.879 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.790 Ave N Shift Values>> N :: 120.09(3.57) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.4 R 0.01 C Shift Assignments>> C :: 175.619 CA :: 55.182 CB :: 33.607 CG :: 24.251 CE :: 42.016 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.263 HA :: 4.633 HB2 :: 1.622 HB3 :: 1.792 HG2 :: 1.260 HG3 :: 1.416 HE2 :: 2.869 HE3 :: 2.926 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.719 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.27 D 0.06 F 0.05 K 0.05 G 0.04 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 170.224 CA :: 43.149 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.524 HA2 :: 3.733 HA3 :: 4.563 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.560 Ave N Shift Values>> N :: 109.67(3.87) 1.P107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 175.249 CA :: 62.773 CB :: 32.382 CG :: 27.485 CD :: 49.621 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.405 HB2 :: 2.112 HB3 :: 2.291 HG2 :: 2.166 HG3 :: 1.989 HD2 :: 3.531 HD3 :: 3.436 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.2 C 0.18 C Shift Assignments>> C :: 173.738 CA :: 53.784 CB :: 38.051 CG :: 177.862 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.054 HA :: 4.539 HB2 :: 2.869 HB3 :: 3.423 HD21 :: 6.953 HD22 :: 7.570 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.826 ND2 :: 112.189 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.09 HN Overlap>> 1.E87 1.E87 C Shift Assignments>> C :: 176.346 CA :: 54.087 CB :: 35.831 CG :: 24.982 CD :: 29.559 CE :: 41.674 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.104 HA :: 5.488 HB2 :: 1.567 HB3 :: 1.625 HG2 :: 1.155 HG3 :: 1.410 HD2 :: 1.574 HD3 :: 1.574 HE2 :: 2.894 HE3 :: 2.894 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.642 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 C Shift Assignments>> C :: 173.313 CA :: 59.376 CB :: 40.568 CG1 :: 25.708 CG2 :: 17.763 CD1 :: 14.595 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.818 HA :: 4.512 HB :: 1.989 HG12 :: 0.987 HG13 :: 1.397 HG21 :: 0.709 HG22 :: 0.709 HG23 :: 0.709 HD11 :: 0.295 HD12 :: 0.295 HD13 :: 0.295 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.211 Ave N Shift Values>> N :: 121.46(4.28) 1.Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 Q 0.26 E 0.02 C Shift Assignments>> C :: 174.247 CA :: 53.467 CB :: 33.261 CG :: 33.754 CD :: 179.744 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.842 HA :: 5.540 HB2 :: 1.714 HB3 :: 1.922 HG2 :: 2.012 HG3 :: 2.012 HE21 :: 6.789 HE22 :: 7.338 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.715 NE2 :: 111.240 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.36 D 0.14 Y 0.13 C 0.13 F 0.12 L 0.04 E 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 173.906 CA :: 54.491 CB :: 38.494 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.454 HA :: 3.815 HB2 :: 1.254(S) HB3 :: 2.607 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.490 Ave N Shift Values>> N :: 120.17(4.64) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.784 CA :: 61.073 CB :: 32.477 CG1 :: 21.492 CG2 :: 20.370 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.959 HA :: 4.350 HB :: 2.067 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 0.713 HG22 :: 0.713 HG23 :: 0.713 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 133.265 Ave N Shift Values>> N :: 121.14(4.54) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.31 L 0.19 N 0.13 F 0.12 Y 0.1 C 0.06 K 0.05 C Shift Assignments>> C :: 176.008 CA :: 54.680 CB :: 40.652 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> HA :: 4.397 HB2 :: 2.159 HB3 :: 2.939 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.835 CA :: 45.706 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.593 HA2 :: 3.428 HA3 :: 3.965 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.841 Ave N Shift Values>> N :: 109.67(3.87) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.36 E 0.12 Q 0.02 C Shift Assignments>> C :: 175.185 CA :: 53.939 CB :: 33.213 CG :: 35.892 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.650 HA :: 4.610 HB2 :: 1.783 HB3 :: 1.981 HG2 :: 2.261 HG3 :: 2.172 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.272 Ave N Shift Values>> N :: 120.67(3.48) 1.W117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 178.660 CA :: 56.779 CB :: 31.092 CD1 :: 125.856 CE3 :: 120.697 CZ2 :: 113.830 CZ3 :: 121.910 CH2 :: 123.521 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.568 HA :: 5.206 HB2 :: 3.351 HB3 :: 2.973 HD1 :: 7.183 HE1 :: 9.163 HE3 :: 7.059 HZ2 :: 7.020 HZ3 :: 6.689 HH2 :: 6.070 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 126.188 NE1 :: 128.148 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 172.949 CA :: 62.619 CB :: 70.153 CG2 :: 22.410 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.413 HA :: 4.429 HB :: 4.829 HG21 :: 1.548 HG22 :: 1.548 HG23 :: 1.548 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.428 Ave N Shift Values>> N :: 115.42(4.75) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 173.832 CA :: 64.229 CB :: 70.149 CG2 :: 21.664 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.485 HA :: 3.852 HB :: 3.885 HG21 :: 1.295 HG22 :: 1.295 HG23 :: 1.295 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.779 Ave N Shift Values>> N :: 115.42(4.75) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.25 R 0.14 G 0.05 C Shift Assignments>> C :: 176.098 CA :: 54.170 CB :: 42.953 CG :: 28.082 CD1 :: 24.881 CD2 :: 25.314 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.107 HA :: 4.027 HB2 :: 1.568 HB3 :: 1.422 HG :: 1.493 HD11 :: 0.389 HD12 :: 0.389 HD13 :: 0.389 HD21 :: 0.647 HD22 :: 0.647 HD23 :: 0.647 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.749 Ave N Shift Values>> N :: 121.86(3.9) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.61 P 0.36 G 0.01 C Shift Assignments>> C :: 173.009 CA :: 62.220 CB :: 33.118 CG :: 26.307 CD :: 48.724 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.644 HB2 :: 1.518 HB3 :: 2.129 HG2 :: 1.177 HG3 :: 1.835 HD2 :: 2.891 HD3 :: 3.403 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.14 I 0.13 V 0.11 Y 0.06 K 0.04 M 0.04 F 0.03 Q 0.03 C Shift Assignments>> C :: 174.466 CA :: 60.360 CB :: 35.479 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.992 HA :: 4.259 HB :: 1.849 HG11 :: 0.804 HG12 :: 0.804 HG13 :: 0.804 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.112 Ave N Shift Values>> N :: 121.14(4.54) 1.C123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.24 L 0.16 F 0.08 Y 0.06 C 0.06 K 0.02 HN Overlap>> 1.E9 1.E9 C Shift Assignments>> C :: 174.630 CA :: 53.504 CB :: 40.481 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.688 HA :: 5.428 HB2 :: 2.618 HB3 :: 2.679 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.920 Ave N Shift Values>> N :: 120.17(4.64) 1.I124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 175.240 CA :: 59.386 CB :: 41.021 CG1 :: 26.668 CG2 :: 18.072 CD1 :: 13.797 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.488 HA :: 4.827 HB :: 1.976 HG12 :: 1.173 HG13 :: 1.432 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 HD11 :: 0.828 HD12 :: 0.828 HD13 :: 0.828 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.260 Ave N Shift Values>> N :: 121.46(4.28) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 175.217 CA :: 63.465 CB :: 32.408 CG2 :: 21.550 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.389 HA :: 3.571 HB :: 1.846 HG21 :: 0.794 HG22 :: 0.794 HG23 :: 0.794 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.262 Ave N Shift Values>> N :: 121.14(4.54) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.37 M 0.09 I 0.05 K 0.01 Q 0.01 C Shift Assignments>> C :: 174.756 CA :: 58.553 CB :: 30.986 CG :: 36.774 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.672 HA :: 3.888 HB2 :: 1.629 HB3 :: 1.712 HG2 :: 2.084 HG3 :: 2.043 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 130.872 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 126 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 126 #Suspicious: 0 C Shift Results: #Consistent: 567 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 870 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 123 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K23 HB2 = 0.700(S), Expected = 1.78, Std = 0.2500, ChiSquare = 1.5603e-05 1.Q49 HG2 = 1.363(S), Expected = 2.32, Std = 0.2700, ChiSquare = 3.9344e-04 1.P72 HB2 = 0.455(S), Expected = 2.08, Std = 0.3500, ChiSquare = 3.4362e-06 1.P72 HB3 = 0.528(S), Expected = 2.00, Std = 0.3600, ChiSquare = 4.3344e-05 1.N77 HB2 = 1.053(S), Expected = 2.81, Std = 0.3100, ChiSquare = 1.4469e-08 1.K85 CD = 24.655(S), Expected = 28.96, Std = 1.0800, ChiSquare = 6.7165e-05 1.C112 HB2 = 1.254(S), Expected = 2.96, Std = 0.4400, ChiSquare = 1.0563e-04