Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.C1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.16 R 0.16 E 0.15 H 0.12 M 0.11 K 0.1 Q 0.09 V 0.04 I 0.02 C Shift Assignments>> CA :: 57.953 CB :: 31.099 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 3.718 HB2 :: 3.163 HB3 :: 2.546 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) 1.F2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.2 K 0.14 C 0.11 F 0.09 N 0.07 Y 0.07 R 0.04 C Shift Assignments>> CA :: 54.636 CB :: 41.243 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 :: 9.553 HA :: 5.458 HB2 :: 2.770 HB3 :: 3.879 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.067 Ave N Shift Values>> N :: 120.69(4.18) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 62.830 CB :: 31.553 CG :: 27.817 CD :: 49.938 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.091 HB2 :: 2.452 HB3 :: 2.532 HG2 :: 2.337 HG3 :: 2.448 HD2 :: 4.361 HD3 :: 3.370 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.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 P 0.26 C 0.25 A 0.09 N 0.04 D 0.01 L 0.01 C Shift Assignments>> CA :: 48.150 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.439 HA2 :: 3.671 HA3 :: 3.863 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.344 Ave N Shift Values>> N :: 109.91(4.29) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.24 C 0.14 Y 0.09 F 0.08 L 0.06 C Shift Assignments>> CA :: 53.778 CB :: 39.389 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 :: 8.210 HA :: 4.552 HB2 :: 2.783 HB3 :: 2.783 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 :: 114.780 Ave N Shift Values>> N :: 120.73(4.2) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 64.589 CB :: 69.419 CG2 :: 20.090 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.904 HA :: 4.165 HB :: 4.004 HG21 :: 1.015 HG22 :: 1.015 HG23 :: 1.015 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.629 Ave N Shift Values>> N :: 115.7(5.05) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 C 0.31 K 0.31 G 0.03 C Shift Assignments>> CA :: 54.764 CB :: 32.047 CG :: 28.297 CD :: 42.784 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 :: 8.669 HA :: 4.946 HB2 :: 1.728 HB3 :: 1.518 HG2 :: 1.748 HG3 :: 1.533 HD2 :: 3.240 HD3 :: 3.110 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 :: 126.273 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.18 G 0.02 HN Overlap>> 1.I177 1.I177 C Shift Assignments>> CA :: 58.289 CB :: 42.111 CG1 :: 28.761 CG2 :: 14.765 CD1 :: 14.976 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.412 HA :: 5.056 HB :: 1.329 HG12 :: 1.555 HG13 :: 1.042 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 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 :: 119.970 Ave N Shift Values>> N :: 121.6(4.72) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.29 A 0.05 R 0.04 G 0.01 C Shift Assignments>> CA :: 55.086 CB :: 42.029 CG :: 26.443 CD1 :: 22.642 CD2 :: 25.289 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 :: 7.663 HA :: 4.797 HB2 :: 1.918 HB3 :: 1.268 HG :: 1.374 HD11 :: 0.607 HD12 :: 0.607 HD13 :: 0.607 HD21 :: 0.370 HD22 :: 0.370 HD23 :: 0.370 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 :: 127.101 Ave N Shift Values>> N :: 121.98(4.07) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 V 0.09 I 0.06 A 0.02 C Shift Assignments>> CA :: 58.819 CB :: 36.179 CG1 :: 21.995 CG2 :: 18.423 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 :: 9.028 HA :: 5.214 HB :: 2.437 HG11 :: 0.954 HG12 :: 0.954 HG13 :: 0.954 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 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 :: 120.491 Ave N Shift Values>> N :: 121.02(4.96) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.32 E 0.14 Q 0.13 K 0.02 C Shift Assignments>> CA :: 54.992 CB :: 32.089 CG :: 34.602 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 :: 8.920 HA :: 4.952 HB2 :: 1.623 HB3 :: 1.623 HG2 :: 1.733 HG3 :: 1.940 HE21 :: 7.074 HE22 :: 6.690 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.325 NE2 :: 110.156 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 HN Overlap>> 1.K171 1.K171 C Shift Assignments>> CA :: 59.924 CB :: 38.783 CG1 :: 27.212 CG2 :: 16.503 CD1 :: 13.019 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 :: 8.268 HA :: 4.853 HB :: 1.732 HG12 :: 0.828 HG13 :: 1.466 HG21 :: 0.721 HG22 :: 0.721 HG23 :: 0.721 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.679 Ave N Shift Values>> N :: 121.6(4.72) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 C 0.17 Y 0.17 F 0.15 N 0.15 L 0.08 I 0.02 E 0.01 K 0.01 C Shift Assignments>> CA :: 55.371 CB :: 39.438 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 :: 9.884 HA :: 4.351 HB2 :: 2.949 HB3 :: 2.692 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 :: 130.512 Ave N Shift Values>> N :: 120.73(4.2) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.685 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.665 HA2 :: 3.436 HA3 :: 4.175 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.663 Ave N Shift Values>> N :: 109.91(4.29) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.15 V 0.15 Q 0.14 M 0.11 E 0.05 R 0.05 H 0.03 I 0.01 Y 0.01 C Shift Assignments>> CA :: 59.241 CB :: 33.523 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 :: 7.785 HA :: 4.619 HB :: 2.107 HG11 :: 0.952 HG12 :: 0.952 HG13 :: 0.952 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 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 :: 121.637 Ave N Shift Values>> N :: 121.02(4.96) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> CA :: 61.982 CB :: 31.565 CG :: 27.038 CD :: 51.374 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.383 HB2 :: 1.838 HB3 :: 2.464 HG2 :: 2.169 HG3 :: 2.132 HD2 :: 4.086 HD3 :: 3.870 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.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.37 Q 0.09 E 0.02 K 0.01 C Shift Assignments>> CA :: 54.735 CB :: 32.614 CG :: 32.642 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.403 HA :: 4.599 HB2 :: 1.885 HB3 :: 2.217 HG2 :: 2.344 HG3 :: 2.344 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.254 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.33 R 0.23 M 0.02 C Shift Assignments>> CA :: 54.792 CB :: 33.600 CG :: 25.847 CD :: 29.642 CE :: 41.849 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 :: 8.436 HA :: 5.359 HB2 :: 1.686 HB3 :: 1.434 HG2 :: 1.370 HG3 :: 1.183 HD2 :: 1.625 HD3 :: 1.528 HE2 :: 2.973 HE3 :: 2.913 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 :: 120.137 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.47 A 0.02 HN Overlap>> 1.D133 1.D133 1.E144 1.E144 C Shift Assignments>> CA :: 58.540 CB :: 41.660 CG1 :: 25.768 CG2 :: 17.210 CD1 :: 14.032 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 :: 8.251 HA :: 4.915 HB :: 1.841 HG12 :: 1.171 HG13 :: 1.486 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 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 :: 120.022 Ave N Shift Values>> N :: 121.6(4.72) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 60.915 CB :: 69.685 CG2 :: 21.413 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 :: 8.193 HA :: 5.190 HB :: 5.113 HG21 :: 1.242 HG22 :: 1.242 HG23 :: 1.242 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.214 Ave N Shift Values>> N :: 115.7(5.05) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 L 0.35 R 0.22 K 0.02 C Shift Assignments>> CA :: 56.965 CB :: 41.838 CG :: 27.682 CD1 :: 23.272 CD2 :: 26.633 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 :: 8.465 HA :: 3.920 HB2 :: 1.306 HB3 :: 1.636 HG :: 1.567 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 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 :: 122.500 Ave N Shift Values>> N :: 121.98(4.07) 1.R22 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.33 K 0.18 L 0.04 G 0.03 C Shift Assignments>> CA :: 58.582 CB :: 29.512 CG :: 26.787 CD :: 42.747 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 :: 8.106 HA :: 2.957 HB2 :: 1.294 HB3 :: 1.369 HG2 :: 1.410 HG3 :: 1.410 HD2 :: 3.173 HD3 :: 3.225 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.339 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 I 0.22 K 0.03 M 0.02 C Shift Assignments>> CA :: 58.501 CB :: 29.671 CG :: 37.398 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 :: 7.368 HA :: 3.879 HB2 :: 1.910 HB3 :: 2.274 HG2 :: 2.174 HG3 :: 2.174 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.237 Ave N Shift Values>> N :: 120.68(3.68) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.33 K 0.22 HN Overlap>> 1.K42 1.K42 C Shift Assignments>> CA :: 57.701 CB :: 41.003 CG :: 26.564 CD1 :: 23.823 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 :: 8.487 HA :: 3.969 HB2 :: 2.220 HB3 :: 1.403 HG :: 0.872 HD11 :: 1.048 HD12 :: 1.048 HD13 :: 1.048 HD21 :: 1.048 HD22 :: 1.048 HD23 :: 1.048 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.337 Ave N Shift Values>> N :: 121.98(4.07) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 F 0.16 C 0.15 Y 0.15 C Shift Assignments>> CA :: 62.153 CB :: 38.893 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 :: 8.032 HA :: 3.885 HB2 :: 3.158 HB3 :: 3.158 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.548 Ave N Shift Values>> N :: 120.79(4.69) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.24 K 0.2 Q 0.18 M 0.03 I 0.02 R 0.01 C Shift Assignments>> CA :: 56.076 CB :: 28.769 CG :: 35.236 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 :: 7.127 HA :: 4.175 HB2 :: 2.002 HB3 :: 2.330 HG2 :: 2.545 HG3 :: 2.545 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 111.954 Ave N Shift Values>> N :: 120.68(3.68) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.32 A 0.06 R 0.02 C Shift Assignments>> CA :: 54.753 CB :: 41.495 CG :: 26.172 CD1 :: 22.801 CD2 :: 25.826 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 :: 7.879 HA :: 4.275 HB2 :: 2.136 HB3 :: 1.679 HG :: 1.863 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.796 HD22 :: 0.796 HD23 :: 0.796 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 :: 120.345 Ave N Shift Values>> N :: 121.98(4.07) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.25 G 0.15 C 0.12 D 0.06 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> CA :: 55.317 CB :: 43.984 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 :: 7.544 HA :: 5.118 HB2 :: 2.750 HB3 :: 2.597 HD1 :: 6.971 HD2 :: 6.971 HE1 :: 7.190 HE2 :: 7.190 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.355 Ave N Shift Values>> N :: 120.69(4.18) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.33 Q 0.12 E 0.1 K 0.02 C Shift Assignments>> CA :: 54.055 CB :: 32.186 CG :: 34.512 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 :: 9.580 HA :: 4.567 HB2 :: 2.099 HB3 :: 2.099 HG2 :: 1.920 HG3 :: 1.920 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.960 Ave N Shift Values>> N :: 120.68(3.68) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 C 0.18 D 0.18 Y 0.16 F 0.13 L 0.05 E 0.02 I 0.01 C Shift Assignments>> CA :: 54.996 CB :: 38.994 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 :: 8.478 HA :: 4.236 HB2 :: 2.566 HB3 :: 3.439 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 :: 118.069 Ave N Shift Values>> N :: 120.73(4.2) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 E 0.13 M 0.09 I 0.01 HN Overlap>> 1.D115 1.D115 C Shift Assignments>> CA :: 55.114 CB :: 32.772 CG :: 38.267 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 :: 8.180 HA :: 5.200 HB2 :: 1.846 HB3 :: 2.195 HG2 :: 2.263 HG3 :: 2.263 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 :: 122.428 Ave N Shift Values>> N :: 120.68(3.68) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.35 K 0.23 G 0.04 C Shift Assignments>> CA :: 53.921 CB :: 32.541 CG :: 26.504 CD :: 42.793 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.528 HA :: 4.828 HB2 :: 1.900 HB3 :: 1.716 HG2 :: 1.719 HG3 :: 1.536 HD2 :: 3.150 HD3 :: 3.150 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.000 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.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 N 0.2 Y 0.17 D 0.15 F 0.14 L 0.04 E 0.03 I 0.02 C Shift Assignments>> CA :: 55.245 CB :: 38.762 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 :: 8.509 HA :: 5.207 HB2 :: 2.678 HB3 :: 2.876 HD1 :: 6.327 HD2 :: 6.327 HE1 :: 6.103 HE2 :: 6.103 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 :: 123.877 Ave N Shift Values>> N :: 120.79(4.69) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 M 0.33 E 0.2 Q 0.08 K 0.02 C Shift Assignments>> CA :: 54.735 CB :: 32.066 CG :: 35.292 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 :: 8.555 HA :: 4.272 HB2 :: 1.688 HB3 :: 1.782 HG2 :: 2.041 HG3 :: 2.041 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.203 Ave N Shift Values>> N :: 120.68(3.68) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 N 0.26 E 0.14 Y 0.09 M 0.07 F 0.04 D 0.02 K 0.02 C Shift Assignments>> CA :: 54.080 CB :: 36.738 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 :: 8.859 HA :: 4.131 HB2 :: 2.661 HB3 :: 2.866 HD21 :: 6.739 HD22 :: 7.449 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.073 ND2 :: 113.302 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M36 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> K 0.26 C 0.25 Q 0.2 R 0.11 M 0.11 E 0.03 C Shift Assignments>> CA :: 56.999 CB :: 29.384 CG :: 32.542 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 :: 7.718 HA :: 3.511 HB2 :: 2.253 HB3 :: 2.382 HG2 :: 2.392 HG3 :: 2.463 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 :: 106.082(A) Ave N Shift Values>> N :: 120.1(3.88) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.39 I 0.01 C Shift Assignments>> CA :: 59.832 CB :: 34.495 CG1 :: 21.861 CG2 :: 19.209 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 :: 7.330 HA :: 4.625 HB :: 2.117 HG11 :: 0.923 HG12 :: 0.923 HG13 :: 0.923 HG21 :: 0.824 HG22 :: 0.824 HG23 :: 0.824 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 :: 115.552 Ave N Shift Values>> N :: 121.02(4.96) 1.Y38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.24 C 0.19 D 0.1 L 0.07 I 0.06 N 0.03 K 0.02 E 0.01 C Shift Assignments>> CA :: 57.156 CB :: 39.678 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 :: 8.861 HA :: 5.325 HB2 :: 3.130 HB3 :: 2.973 HD1 :: 7.071 HD2 :: 7.071 HE1 :: 6.897 HE2 :: 6.897 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 :: 120.940 Ave N Shift Values>> N :: 120.79(4.69) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.4 C Shift Assignments>> CA :: 59.179 CB :: 35.046 CG1 :: 20.980 CG2 :: 21.124 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 :: 9.058 HA :: 5.378 HB :: 1.903 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 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 :: 120.601 Ave N Shift Values>> N :: 121.02(4.96) 1.R40 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 K 0.34 R 0.18 G 0.02 C Shift Assignments>> CA :: 54.990 CB :: 34.010 CG :: 27.384 CD :: 42.502 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 :: 8.879 HA :: 5.184 HB2 :: 1.749 HB3 :: 1.177 HG2 :: 1.759 HG3 :: 1.016 HD2 :: 1.511(S) HD3 :: 2.539 HE :: 6.716 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 :: 123.244 NE :: 86.320 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD2 > HB2 : 0.9950) (HD2 > HG2 : 0.9976) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.41 R 0.06 C Shift Assignments>> CA :: 55.944 CB :: 35.615 CG :: 24.307 CD :: 28.315 CE :: 41.411 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 :: 7.631 HA :: 4.953 HB2 :: 2.025 HB3 :: 2.162 HG2 :: 1.651 HG3 :: 1.495 HD2 :: 1.752 HD3 :: 1.752 HE2 :: 3.040 HE3 :: 2.892 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 :: 116.905 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.39 A 0.02 M 0.02 HN Overlap>> 1.L24 1.L24 C Shift Assignments>> CA :: 52.468 CB :: 34.973 CG :: 24.093 CD :: 28.839 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 :: 8.482 HA :: 5.174 HB2 :: 1.763 HB3 :: 1.763 HG2 :: 1.425 HG3 :: 1.425 HD2 :: 1.702 HD3 :: 1.702 HE2 :: 2.989 HE3 :: 2.989 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.344 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> CA :: 62.101 CB :: 31.246 CG :: 26.156 CD :: 50.328 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 :: 3.504 HB2 :: 2.212 HB3 :: 1.463 HG2 :: 2.103 HG3 :: 2.211 HD2 :: 3.881 HD3 :: 3.963 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.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.4 R 0.16 M 0.01 HN Overlap>> 1.I181 1.I181 C Shift Assignments>> CA :: 57.185 CB :: 33.087 CG :: 25.547 CD :: 29.023 CE :: 41.565 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 :: 8.719 HA :: 4.099 HB2 :: 1.879 HB3 :: 1.441 HG2 :: 1.082 HG3 :: 1.314 HD2 :: 1.518 HD3 :: 1.518 HE2 :: 2.812 HE3 :: 2.812 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.908 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R45 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 0.04 C Shift Assignments>> CA :: 52.328 CB :: 33.189 CG :: 25.945 CD :: 42.283 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 :: 7.106 HA :: 4.615 HB2 :: 1.185 HB3 :: 2.119 HG2 :: 1.459 HG3 :: 1.532 HD2 :: 3.035 HD3 :: 3.204 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 :: 114.464 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.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 K 0.15 Q 0.09 I 0.05 M 0.02 HN Overlap>> 1.Q127 1.Q127 C Shift Assignments>> CA :: 56.407 CB :: 28.739 CG :: 35.953 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 :: 8.288 HA :: 4.369 HB2 :: 2.229 HB3 :: 2.229 HG2 :: 2.069 HG3 :: 2.069 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.034 Ave N Shift Values>> N :: 120.68(3.68) 1.I47 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>> CA :: 59.716 CB :: 41.036 CG1 :: 27.354 CG2 :: 16.797 CD1 :: 15.439 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 :: 8.248 HA :: 5.205 HB :: 1.581 HG12 :: 0.841 HG13 :: 1.494 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 HD11 :: 0.752 HD12 :: 0.752 HD13 :: 0.752 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.537 Ave N Shift Values>> N :: 121.6(4.72) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.23 R 0.17 G 0.01 C Shift Assignments>> CA :: 53.552 CB :: 37.103 CG :: 25.053 CD :: 28.573 CE :: 41.723 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 :: 8.744 HA :: 4.857 HB2 :: 1.350 HB3 :: 1.731 HG2 :: 1.352 HG3 :: 1.352 HD2 :: 1.361 HD3 :: 1.551 HE2 :: 2.829 HE3 :: 2.829 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.466 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.37 C Shift Assignments>> CA :: 59.341 CB :: 35.010 CG1 :: 22.410 CG2 :: 20.580 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 :: 9.102 HA :: 4.849 HB :: 1.840 HG11 :: 1.181 HG12 :: 1.181 HG13 :: 1.181 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 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 :: 118.865 Ave N Shift Values>> N :: 121.02(4.96) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 C 0.19 I 0.15 L 0.03 D 0.03 K 0.01 E 0.01 C Shift Assignments>> CA :: 58.744 CB :: 39.583 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 :: 6.934 HA :: 4.720 HB2 :: 2.642 HB3 :: 2.576 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 :: 124.290 Ave N Shift Values>> N :: 120.79(4.69) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> CA :: 55.915 CB :: 66.018 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.805 HA :: 4.676 HB2 :: 3.163 HB3 :: 3.313 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 :: 116.945 Ave N Shift Values>> N :: 116.3(3.95) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.6 I 0.36 A 0.03 C Shift Assignments>> CA :: 57.256 CB :: 39.412 CG1 :: 27.309 CG2 :: 16.044 CD1 :: 11.093 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>> HA :: 4.569 HB :: 1.386 HG12 :: 0.971 HG13 :: 1.083 HG21 :: 0.362 HG22 :: 0.362 HG23 :: 0.362 HD11 :: 0.527 HD12 :: 0.527 HD13 :: 0.527 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) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.27 C 0.12 L 0.11 F 0.04 Y 0.03 K 0.03 C Shift Assignments>> CA :: 51.881 CB :: 40.726 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 :: 8.409 HA :: 4.572 HB2 :: 2.925 HB3 :: 2.117 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.141 Ave N Shift Values>> N :: 120.73(4.2) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 A 0.21 L 0.09 C Shift Assignments>> CA :: 56.309 CB :: 40.479 CG :: 25.073 CD1 :: 20.738 CD2 :: 26.063 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 :: 8.434 HA :: 3.772 HB2 :: 1.733 HB3 :: 1.452 HG :: 0.653 HD11 :: 0.114 HD12 :: 0.114 HD13 :: 0.114 HD21 :: 1.456 HD22 :: 1.456 HD23 :: 1.456 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.485 Ave N Shift Values>> N :: 121.98(4.07) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.14 K 0.08 Q 0.03 M 0.03 C Shift Assignments>> CA :: 58.475 CB :: 29.541 CG :: 36.312 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.279 HA :: 4.237 HB2 :: 2.184 HB3 :: 2.277 HG2 :: 2.412 HG3 :: 2.273 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 :: 117.119 Ave N Shift Values>> N :: 120.68(3.68) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 60.905 CB :: 70.704 CG2 :: 20.925 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.174 HA :: 4.454 HB :: 4.249 HG21 :: 1.186 HG22 :: 1.186 HG23 :: 1.186 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.028 Ave N Shift Values>> N :: 115.7(5.05) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> CA :: 45.173 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.788 HA2 :: 3.403 HA3 :: 4.124 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.264 Ave N Shift Values>> N :: 109.91(4.29) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.37 R 0.13 M 0.01 C Shift Assignments>> CA :: 55.136 CB :: 33.556 CG :: 24.559 CD :: 28.180 CE :: 41.791 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 :: 7.383 HA :: 4.305 HB2 :: 1.689 HB3 :: 1.587 HG2 :: 1.347 HG3 :: 1.347 HD2 :: 1.609 HD3 :: 1.609 HE2 :: 2.960 HE3 :: 2.960 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.511 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.28 M 0.03 I 0.02 HN Overlap>> 1.L140 1.L140 C Shift Assignments>> CA :: 61.833 CB :: 31.387 CG1 :: 21.349 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 :: 8.080 HA :: 4.381 HB :: 1.847 HG11 :: 0.934 HG12 :: 0.934 HG13 :: 0.934 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 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 :: 122.150 Ave N Shift Values>> N :: 121.02(4.96) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.14 A 0.01 I 0.01 HN Overlap>> 1.K106 1.K106 C Shift Assignments>> CA :: 58.870 CB :: 35.053 CG1 :: 20.768 CG2 :: 18.053 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 :: 8.671 HA :: 4.414 HB :: 1.638 HG11 :: 0.524 HG12 :: 0.524 HG13 :: 0.524 HG21 :: -0.060 HG22 :: -0.060 HG23 :: -0.060 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.760 Ave N Shift Values>> N :: 121.02(4.96) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.26 C 0.17 A 0.05 C Shift Assignments>> CA :: 53.120 CB :: 44.029 CG :: 26.656 CD1 :: 23.159 CD2 :: 23.661 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 :: 7.896 HA :: 4.690 HB2 :: 1.316 HB3 :: 1.070 HG :: 1.017 HD11 :: -0.044 HD12 :: -0.044 HD13 :: -0.044 HD21 :: 0.254 HD22 :: 0.254 HD23 :: 0.254 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 :: 122.179 Ave N Shift Values>> N :: 121.98(4.07) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 C 0.32 A 0.14 C Shift Assignments>> CA :: 58.261 CB :: 71.685 CG2 :: 19.668 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 :: 8.830 HA :: 4.892 HB :: 4.003 HG21 :: 1.446 HG22 :: 1.446 HG23 :: 1.446 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.711 Ave N Shift Values>> N :: 115.7(5.05) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.17 R 0.17 K 0.11 C 0.1 F 0.04 Y 0.03 G 0.02 N 0.02 C Shift Assignments>> CA :: 54.043 CB :: 42.745 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 :: 7.713 HA :: 5.038 HB2 :: 2.786 HB3 :: 2.328 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 :: 122.789 Ave N Shift Values>> N :: 120.73(4.2) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> CA :: 61.295 CB :: 39.547 CG1 :: 28.201 CG2 :: 18.673 CD1 :: 14.870 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.061 HA :: 4.250 HB :: 1.923 HG12 :: 1.772 HG13 :: 0.772 HG21 :: 0.725 HG22 :: 0.725 HG23 :: 0.725 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 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 :: 120.112 Ave N Shift Values>> N :: 121.6(4.72) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 M 0.09 I 0.07 K 0.07 Q 0.05 C Shift Assignments>> CA :: 58.153 CB :: 30.473 CG :: 36.024 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 :: 9.235 HA :: 4.327 HB2 :: 1.886 HB3 :: 2.006 HG2 :: 2.132 HG3 :: 2.132 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.496 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>> L 0.28 D 0.21 R 0.14 C 0.12 K 0.07 G 0.05 N 0.04 F 0.03 Y 0.02 C Shift Assignments>> CA :: 52.662 CB :: 42.857 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 :: 7.595 HA :: 4.769 HB2 :: 2.599 HB3 :: 2.974 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 :: 111.476 Ave N Shift Values>> N :: 120.73(4.2) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.42 C Shift Assignments>> CA :: 60.465 CB :: 33.981 CG1 :: 21.667 CG2 :: 20.582 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 :: 7.934 HA :: 4.675 HB :: 2.016 HG11 :: 0.497 HG12 :: 0.497 HG13 :: 0.497 HG21 :: 0.337 HG22 :: 0.337 HG23 :: 0.337 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 :: 111.539 Ave N Shift Values>> N :: 121.02(4.96) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.45 G 0.05 HN Overlap>> 1.Q127 1.Q127 C Shift Assignments>> CA :: 59.656 CB :: 42.592 CG1 :: 27.244 CG2 :: 17.543 CD1 :: 13.983 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 :: 8.377 HA :: 5.387 HB :: 1.432 HG12 :: 1.276 HG13 :: 0.898 HG21 :: 0.805 HG22 :: 0.805 HG23 :: 0.805 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 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 :: 121.104 Ave N Shift Values>> N :: 121.6(4.72) 1.K69 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.52 K 0.41 M 0.03 R 0.01 A 0.01 C Shift Assignments>> CA :: 54.374 CB :: 33.963 CG :: 24.220 CD :: 28.977 CE :: 40.310 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 :: 9.166 HA :: 4.511 HB2 :: 1.242 HB3 :: 0.348(S) HG2 :: 0.384(S) HG3 :: 0.139(S) HD2 :: 0.470(S) HD3 :: 0.470(S) HE2 :: 1.109(A) HE3 :: 1.544(S) 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 :: 126.446 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 A 0.38 C 0.03 M 0.01 L 0.01 C Shift Assignments>> CA :: 48.128 CB :: 20.515 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.992 HA :: 5.295 HB1 :: 1.287 HB2 :: 1.287 HB3 :: 1.287 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.470 Ave N Shift Values>> N :: 123.23(3.7) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> CA :: 62.695 CB :: 31.391 CG :: 27.833 CD :: 50.460 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 :: 4.361 HB2 :: 1.852 HB3 :: 1.852 HG2 :: 2.286 HG3 :: 2.166 HD2 :: 3.852 HD3 :: 4.056 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.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.02 C Shift Assignments>> CA :: 51.666 CB :: 18.892 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.812 HA :: 4.178 HB1 :: 1.134 HB2 :: 1.134 HB3 :: 1.134 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.566 Ave N Shift Values>> N :: 123.23(3.7) 1.T73 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>> CA :: 60.493 CB :: 69.321 CG2 :: 21.391 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.436 HA :: 4.472 HB :: 4.478 HG21 :: 1.228 HG22 :: 1.228 HG23 :: 1.228 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.093 Ave N Shift Values>> N :: 115.7(5.05) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.19 K 0.15 C 0.11 F 0.1 Y 0.09 N 0.05 R 0.04 C Shift Assignments>> CA :: 55.219 CB :: 41.187 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 :: 8.179 HA :: 4.423 HB2 :: 2.599 HB3 :: 2.599 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.911 Ave N Shift Values>> N :: 120.73(4.2) 1.H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 C 0.17 H 0.14 K 0.14 R 0.14 E 0.08 Q 0.07 V 0.01 C Shift Assignments>> CA :: 54.992 CB :: 31.724 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 :: 7.995 HA :: 5.154 HB2 :: 2.959 HB3 :: 3.134 HD2 :: 6.825 HE1 :: 6.627 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 :: 114.725 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 G 0.29 C 0.15 A 0.05 R 0.04 C Shift Assignments>> CA :: 52.697 CB :: 44.139 CG :: 26.934 CD1 :: 25.842 CD2 :: 23.112 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 :: 8.943 HA :: 4.617 HB2 :: 1.325 HB3 :: 1.325 HG :: 1.442 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.703 HD22 :: 0.703 HD23 :: 0.703 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 :: 120.372 Ave N Shift Values>> N :: 121.98(4.07) 1.I77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> CA :: 60.624 CB :: 38.527 CG1 :: 27.133 CG2 :: 17.941 CD1 :: 13.283 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.894 HA :: 4.094 HB :: 1.029 HG12 :: -0.088(S) HG13 :: 1.028 HG21 :: -0.284(S) HG22 :: -0.284(S) HG23 :: -0.284(S) HD11 :: 0.608 HD12 :: 0.608 HD13 :: 0.608 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 :: 119.521 Ave N Shift Values>> N :: 121.6(4.72) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.34 K 0.22 G 0.07 C Shift Assignments>> CA :: 53.694 CB :: 32.503 CG :: 27.650 CD :: 43.074 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 :: 8.844 HA :: 4.647 HB2 :: 1.439 HB3 :: 1.572 HG2 :: 1.170 HG3 :: 1.458 HD2 :: 3.127 HD3 :: 2.914 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.146 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.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.17 D 0.15 L 0.15 Y 0.15 C 0.14 K 0.13 N 0.03 R 0.02 I 0.02 C Shift Assignments>> CA :: 56.454 CB :: 40.789 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 :: 8.919 HA :: 4.712 HB2 :: 2.180 HB3 :: 2.391 HD1 :: 6.482 HD2 :: 6.482 HE1 :: 6.296 HE2 :: 6.296 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.774 Ave N Shift Values>> N :: 120.69(4.18) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.27 M 0.26 Q 0.03 K 0.02 C Shift Assignments>> CA :: 54.229 CB :: 31.598 CG :: 36.125 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 :: 8.778 HA :: 4.992 HB2 :: 2.017 HB3 :: 2.017 HG2 :: 2.158 HG3 :: 2.268 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 :: 121.180 Ave N Shift Values>> N :: 120.68(3.68) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.26 R 0.12 G 0.01 C Shift Assignments>> CA :: 54.064 CB :: 41.933 CG :: 28.041 CD1 :: 25.413 CD2 :: 24.367 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 :: 9.384 HA :: 5.196 HB2 :: 1.641 HB3 :: 2.157 HG :: 1.780 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 HD21 :: 0.872 HD22 :: 0.872 HD23 :: 0.872 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 :: 124.125 Ave N Shift Values>> N :: 121.98(4.07) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.1 M 0.08 K 0.06 Q 0.04 C Shift Assignments>> CA :: 58.594 CB :: 30.447 CG :: 36.144 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 :: 8.515 HA :: 4.078 HB2 :: 2.172 HB3 :: 2.336 HG2 :: 2.401 HG3 :: 2.293 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 :: 117.357 Ave N Shift Values>> N :: 120.68(3.68) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.25 L 0.12 C 0.11 F 0.05 Y 0.04 K 0.04 C Shift Assignments>> CA :: 52.400 CB :: 40.689 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 :: 7.585 HA :: 4.782 HB2 :: 3.115 HB3 :: 2.534 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.090 Ave N Shift Values>> N :: 120.73(4.2) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.21 R 0.17 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.448 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.059 HA2 :: 3.703 HA3 :: 4.430 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.697 Ave N Shift Values>> N :: 109.91(4.29) 1.R85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.41 C 0.38 K 0.1 G 0.1 C Shift Assignments>> CA :: 57.024 CB :: 31.257 CG :: 27.405 CD :: 43.674 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 :: 7.605 HA :: 4.377 HB2 :: 2.021 HB3 :: 2.021 HG2 :: 1.836 HG3 :: 1.836 HD2 :: 3.457 HD3 :: 3.053 HE :: 9.033(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.996 NE :: 86.440 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.S86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.7 S 0.29 C Shift Assignments>> CA :: 57.285 CB :: 67.638 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.339 HA :: 5.995(S) HB2 :: 3.833 HB3 :: 3.833 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 :: 112.987 Ave N Shift Values>> N :: 116.3(3.95) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 Y 0.16 D 0.15 C 0.14 L 0.14 K 0.1 N 0.04 I 0.02 R 0.01 C Shift Assignments>> CA :: 56.467 CB :: 40.550 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 :: 8.854 HA :: 4.768 HB2 :: 3.484 HB3 :: 3.042 HD1 :: 7.089 HD2 :: 7.089 HE1 :: 7.266 HE2 :: 7.266 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.739 Ave N Shift Values>> N :: 120.69(4.18) 1.E88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.62 M 0.28 E 0.07 Q 0.01 C Shift Assignments>> CA :: 53.651 CB :: 33.855 CG :: 35.606 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 :: 8.762 HA :: 5.832(S) HB2 :: 1.723 HB3 :: 2.008 HG2 :: 2.224 HG3 :: 2.020 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 :: 120.234 Ave N Shift Values>> N :: 120.68(3.68) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.25 A 0.01 C Shift Assignments>> CA :: 59.651 CB :: 72.201 CG2 :: 20.424 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 :: 8.770 HA :: 5.215 HB :: 4.142 HG21 :: 1.269 HG22 :: 1.269 HG23 :: 1.269 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.224 Ave N Shift Values>> N :: 115.7(5.05) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.G141 1.G141 C Shift Assignments>> CA :: 62.158 CB :: 69.838 CG2 :: 22.738 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 :: 8.328 HA :: 4.657 HB :: 4.879 HG21 :: 1.269 HG22 :: 1.269 HG23 :: 1.269 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.638 Ave N Shift Values>> N :: 115.7(5.05) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> CA :: 65.219 CB :: 31.608 CG1 :: 19.732 CG2 :: 21.158 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 :: 8.910 HA :: 3.815 HB :: 2.272 HG11 :: 1.054 HG12 :: 1.054 HG13 :: 1.054 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 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 :: 117.802 Ave N Shift Values>> N :: 121.02(4.96) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.31 C 0.12 L 0.08 F 0.04 Y 0.04 K 0.01 C Shift Assignments>> CA :: 51.838 CB :: 40.221 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 :: 8.065 HA :: 4.755 HB2 :: 2.948 HB3 :: 2.623 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 112.856 Ave N Shift Values>> N :: 120.73(4.2) 1.H93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.16 K 0.15 R 0.14 H 0.13 E 0.1 Q 0.07 V 0.01 C Shift Assignments>> CA :: 55.759 CB :: 31.753 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 :: 7.388 HA :: 4.183 HB2 :: 3.359 HB3 :: 3.134 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 123.010 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> CA :: 61.942 CB :: 30.343 CG :: 27.627 CD :: 49.245 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 :: 4.367 HB2 :: 1.651 HB3 :: 0.982 HG2 :: 1.419 HG3 :: 1.513 HD2 :: 3.305 HD3 :: 1.967(S) 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.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> CA :: 60.770 CB :: 33.746 CG1 :: 21.158 CG2 :: 21.351 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 :: 9.378 HA :: 4.363 HB :: 1.809 HG11 :: 0.839 HG12 :: 0.839 HG13 :: 0.839 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 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 :: 124.325 Ave N Shift Values>> N :: 121.02(4.96) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.3 C 0.2 R 0.01 K 0.01 C Shift Assignments>> CA :: 53.983 CB :: 44.422 CG :: 27.001 CD1 :: 24.189 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 :: 6.633 HA :: 5.125 HB2 :: 1.648 HB3 :: 1.814 HG :: 1.659 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.577 Ave N Shift Values>> N :: 121.98(4.07) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.26 A 0.01 C Shift Assignments>> CA :: 58.902 CB :: 35.126 CG1 :: 21.191 CG2 :: 19.222 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 :: 9.304 HA :: 5.363 HB :: 2.266 HG11 :: 0.886 HG12 :: 0.886 HG13 :: 0.886 HG21 :: 0.764 HG22 :: 0.764 HG23 :: 0.764 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.895 Ave N Shift Values>> N :: 121.02(4.96) 1.Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.19 C 0.16 D 0.16 L 0.1 N 0.06 K 0.04 I 0.03 HN Overlap>> 1.K106 1.K106 C Shift Assignments>> CA :: 56.322 CB :: 40.002 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 :: 8.775 HA :: 4.695 HB2 :: 2.163 HB3 :: 2.585 HD1 :: 5.747 HD2 :: 5.747 HE1 :: 5.939 HE2 :: 5.939 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 :: 123.887 Ave N Shift Values>> N :: 120.79(4.69) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.31 E 0.21 Q 0.03 C Shift Assignments>> CA :: 54.952 CB :: 32.568 CG :: 35.826 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 :: 8.741 HA :: 4.352 HB2 :: 1.711 HB3 :: 1.777 HG2 :: 1.908 HG3 :: 2.094 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 :: 129.272 Ave N Shift Values>> N :: 120.68(3.68) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.26 E 0.09 Y 0.08 M 0.05 D 0.04 F 0.04 K 0.01 C Shift Assignments>> CA :: 53.473 CB :: 37.035 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 :: 9.089 HA :: 4.213 HB2 :: 2.570 HB3 :: 2.962 HD21 :: 7.434 HD22 :: 6.759 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.096 ND2 :: 111.855 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.09 R 0.06 F 0.01 C Shift Assignments>> CA :: 45.014 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.007 HA2 :: 3.967 HA3 :: 3.523 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.219 Ave N Shift Values>> N :: 109.91(4.29) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.34 R 0.16 Q 0.07 M 0.04 C Shift Assignments>> CA :: 53.419 CB :: 32.587 CG :: 25.593 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 :: 6.912 HA :: 4.506 HB2 :: 1.708 HB3 :: 1.771 HG2 :: 1.508 HG3 :: 1.420 HD2 :: 3.119 HD3 :: 3.119 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.982 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.F103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.18 I 0.1 L 0.05 D 0.05 K 0.03 C Shift Assignments>> CA :: 58.250 CB :: 39.949 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 :: 8.489 HA :: 5.212 HB2 :: 2.953 HB3 :: 2.854 HD1 :: 7.163 HD2 :: 7.163 HE1 :: 7.363 HE2 :: 7.363 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.371 Ave N Shift Values>> N :: 120.69(4.18) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.43 A 0.01 C Shift Assignments>> CA :: 58.742 CB :: 41.623 CG1 :: 26.318 CG2 :: 17.587 CD1 :: 13.487 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 :: 9.488 HA :: 4.587 HB :: 1.770 HG12 :: 0.996 HG13 :: 1.313 HG21 :: 0.801 HG22 :: 0.801 HG23 :: 0.801 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 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 :: 121.419 Ave N Shift Values>> N :: 121.6(4.72) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 M 0.14 K 0.07 Q 0.06 I 0.01 C Shift Assignments>> CA :: 54.495 CB :: 30.358 CG :: 36.091 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 :: 8.163 HA :: 4.882 HB2 :: 1.613 HB3 :: 1.853 HG2 :: 1.853 HG3 :: 2.069 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.780 Ave N Shift Values>> N :: 120.68(3.68) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.32 R 0.17 M 0.03 HN Overlap>> 1.V60 1.Y98 1.V60 1.Y98 C Shift Assignments>> CA :: 54.294 CB :: 35.796 CG :: 24.946 CD :: 30.029 CE :: 41.520 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 :: 8.685 HA :: 4.521 HB2 :: 1.652 HB3 :: 1.342 HG2 :: 1.227 HG3 :: 1.227 HD2 :: 1.440 HD3 :: 1.440 HE2 :: 2.742 HE3 :: 2.605 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.867 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.14 G 0.03 L 0.01 C Shift Assignments>> CA :: 56.441 CB :: 30.266 CG :: 27.119 CD :: 42.923 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 :: 8.682 HA :: 4.107 HB2 :: 1.337 HB3 :: 1.189 HG2 :: 1.648 HG3 :: 1.648 HD2 :: 3.116 HD3 :: 3.116 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 :: 121.523 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.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.18 I 0.1 C 0.04 V 0.02 C Shift Assignments>> CA :: 56.450 CB :: 18.304 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.677 HA :: 4.061 HB1 :: 1.817 HB2 :: 1.817 HB3 :: 1.817 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.118 Ave N Shift Values>> N :: 123.23(3.7) 1.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.22 Y 0.18 I 0.13 F 0.1 M 0.03 K 0.02 V 0.01 C Shift Assignments>> CA :: 58.595 CB :: 36.980 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 :: 7.888 HA :: 4.458 HB2 :: 3.062 HB3 :: 3.481 HD1 :: 7.381 HD2 :: 7.381 HE1 :: 7.198 HE2 :: 7.198 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 111.000 Ave N Shift Values>> N :: 120.69(4.18) 1.E110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 E 0.38 M 0.11 K 0.04 I 0.03 Q 0.01 C Shift Assignments>> CA :: 55.418 CB :: 30.547 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 :: 8.054 HA :: 4.244 HB2 :: 1.896 HB3 :: 2.084 HG2 :: 1.850 HG3 :: 1.283(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.497 Ave N Shift Values>> N :: 120.68(3.68) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> CA :: 63.424 CB :: 31.159 CG1 :: 23.808 CG2 :: 22.672 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 :: 7.282 HA :: 3.585 HB :: 2.311 HG11 :: 0.791 HG12 :: 0.791 HG13 :: 0.791 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.241 Ave N Shift Values>> N :: 121.02(4.96) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.38 R 0.04 A 0.03 G 0.01 M 0.01 C Shift Assignments>> CA :: 53.588 CB :: 35.638 CG :: 23.683 CD :: 28.394 CE :: 41.805 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 :: 8.531 HA :: 4.692 HB2 :: 1.703 HB3 :: 1.777 HG2 :: 1.434 HG3 :: 1.434 HD2 :: 1.708 HD3 :: 1.708 HE2 :: 3.045 HE3 :: 3.045 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 :: 126.742 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.28 I 0.21 K 0.08 Q 0.02 C Shift Assignments>> CA :: 58.450 CB :: 28.030 CG :: 36.520 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 :: 8.922 HA :: 3.773 HB2 :: 1.961 HB3 :: 1.961 HG2 :: 2.254 HG3 :: 2.254 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 :: 121.250 Ave N Shift Values>> N :: 120.68(3.68) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.21 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.410 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.123 HA2 :: 3.698 HA3 :: 4.551 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.037 Ave N Shift Values>> N :: 109.91(4.29) 1.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.14 F 0.14 C 0.13 Y 0.13 N 0.1 K 0.07 I 0.01 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> CA :: 55.298 CB :: 40.382 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 :: 8.085 HA :: 4.734 HB2 :: 3.030 HB3 :: 2.483 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 :: 122.479 Ave N Shift Values>> N :: 120.73(4.2) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.29 R 0.28 C Shift Assignments>> CA :: 55.136 CB :: 35.829 CG :: 25.933 CD :: 29.396 CE :: 41.867 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 :: 8.459 HA :: 5.217 HB2 :: 2.045 HB3 :: 1.582 HG2 :: 1.736 HG3 :: 1.249 HD2 :: 1.637 HD3 :: 1.637 HE2 :: 3.071 HE3 :: 3.071 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.748 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 C Shift Assignments>> CA :: 58.848 CB :: 34.899 CG1 :: 21.519 CG2 :: 20.891 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 :: 8.960 HA :: 4.694 HB :: 2.211 HG11 :: 1.048 HG12 :: 1.048 HG13 :: 1.048 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.096 Ave N Shift Values>> N :: 121.02(4.96) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 G 0.31 C 0.23 A 0.06 C Shift Assignments>> CA :: 54.221 CB :: 44.049 CG :: 25.321 CD1 :: 22.933 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 :: 9.182 HA :: 4.761 HB2 :: 1.753 HB3 :: 1.310 HG :: 0.571 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.128 Ave N Shift Values>> N :: 121.98(4.07) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 V 0.32 M 0.21 C Shift Assignments>> CA :: 59.140 CB :: 33.717 CG1 :: 20.702 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 :: 8.631 HA :: 5.011 HB :: 1.903 HG11 :: 0.786 HG12 :: 0.786 HG13 :: 0.786 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 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 :: 122.624 Ave N Shift Values>> N :: 121.02(4.96) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.443 CB :: 64.356 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.165 HA :: 4.660 HB2 :: 3.283 HB3 :: 3.283 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 :: 117.761 Ave N Shift Values>> N :: 116.3(3.95) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.26 K 0.18 Q 0.17 M 0.06 I 0.01 R 0.01 C Shift Assignments>> CA :: 55.260 CB :: 29.252 CG :: 35.332 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 :: 8.423 HA :: 4.339 HB2 :: 2.138 HB3 :: 2.006 HG2 :: 2.135 HG3 :: 1.837 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 :: 125.422 Ave N Shift Values>> N :: 120.68(3.68) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.25 R 0.03 G 0.02 A 0.01 C Shift Assignments>> CA :: 54.632 CB :: 42.287 CG :: 26.487 CD1 :: 24.621 CD2 :: 23.776 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 :: 7.782 HA :: 4.161 HB2 :: 1.281 HB3 :: 1.356 HG :: 1.351 HD11 :: 0.592 HD12 :: 0.592 HD13 :: 0.592 HD21 :: 0.575 HD22 :: 0.575 HD23 :: 0.575 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 :: 123.302 Ave N Shift Values>> N :: 121.98(4.07) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.31 K 0.14 Q 0.12 M 0.07 I 0.02 C Shift Assignments>> CA :: 55.468 CB :: 29.571 CG :: 35.689 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 :: 8.412 HA :: 4.295 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.100 Ave N Shift Values>> N :: 120.68(3.68) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.25 A 0.05 R 0.02 G 0.01 C Shift Assignments>> CA :: 54.653 CB :: 41.975 CG :: 26.475 CD1 :: 24.719 CD2 :: 22.882 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 :: 8.096 HA :: 4.294 HB2 :: 1.543 HB3 :: 1.399 HG :: 1.417 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 HD21 :: 0.645 HD22 :: 0.645 HD23 :: 0.645 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 :: 123.444 Ave N Shift Values>> N :: 121.98(4.07) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> CA :: 61.654 CB :: 32.483 CG1 :: 20.698 CG2 :: 20.130 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 :: 7.805 HA :: 4.086 HB :: 2.039 HG11 :: 0.850 HG12 :: 0.850 HG13 :: 0.850 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 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 :: 118.847 Ave N Shift Values>> N :: 121.02(4.96) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.31 K 0.13 Q 0.09 M 0.07 I 0.03 C Shift Assignments>> CA :: 56.343 CB :: 29.645 CG :: 35.837 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 :: 8.414 HB2 :: 2.039 HB3 :: 1.940 HG2 :: 2.230 HG3 :: 2.230 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.760 Ave N Shift Values>> N :: 120.68(3.68) 1.Q127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.26 C 0.23 R 0.09 M 0.07 E 0.06 HN Overlap>> 1.E46 1.I68 1.E46 1.I68 C Shift Assignments>> CA :: 55.434 CB :: 28.837 CG :: 33.323 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 :: 8.310 HA :: 4.350 HB2 :: 2.135 HB3 :: 1.984 HG2 :: 2.340 HG3 :: 2.340 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 :: 121.128 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.954 CB :: 63.396 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.295 HA :: 4.479 HB2 :: 3.897 HB3 :: 3.897 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 :: 116.594 Ave N Shift Values>> N :: 116.3(3.95) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N168 1.N168 C Shift Assignments>> CA :: 57.986 CB :: 63.377 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.296 HA :: 4.494 HB2 :: 3.901 HB3 :: 3.901 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 :: 117.431 Ave N Shift Values>> N :: 116.3(3.95) 1.S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.902 CB :: 63.392 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.246 HA :: 4.519 HB2 :: 3.890 HB3 :: 3.890 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 :: 117.258 Ave N Shift Values>> N :: 116.3(3.95) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.004 CB :: 63.335 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.181 HA :: 4.475 HB2 :: 3.914 HB3 :: 3.873 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 :: 117.427 Ave N Shift Values>> N :: 116.3(3.95) 1.Q132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.26 C 0.24 R 0.08 M 0.07 E 0.07 HN Overlap>> 1.D146 1.D146 C Shift Assignments>> CA :: 55.545 CB :: 28.948 CG :: 33.396 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 :: 8.251 HA :: 4.310 HB2 :: 2.128 HB3 :: 1.972 HG2 :: 2.335 HG3 :: 2.335 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 :: 121.418 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.15 N 0.15 C 0.11 F 0.08 Y 0.07 K 0.07 R 0.01 HN Overlap>> 1.I19 1.I19 C Shift Assignments>> CA :: 54.003 CB :: 40.700 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 :: 8.144 HA :: 4.564 HB2 :: 2.649 HB3 :: 2.555 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.999 Ave N Shift Values>> N :: 120.73(4.2) 1.N134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.17 D 0.14 Y 0.03 F 0.03 L 0.01 C Shift Assignments>> CA :: 50.974 CB :: 38.593 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 :: 8.050 HA :: 4.946 HB2 :: 2.643 HB3 :: 2.811 HD21 :: 6.853 HD22 :: 7.518 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 :: 118.775 ND2 :: 112.031 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.034 CB :: 31.559 CG :: 26.765 CD :: 50.205 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 :: 4.398 HB2 :: 2.270 HB3 :: 1.916 HG2 :: 1.992 HG3 :: 1.992 HD2 :: 3.703 HD3 :: 3.703 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.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.34 R 0.2 M 0.03 C Shift Assignments>> CA :: 55.703 CB :: 32.420 CG :: 24.199 CD :: 28.512 CE :: 41.743 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 :: 8.222 HA :: 4.287 HB2 :: 1.822 HB3 :: 1.738 HG2 :: 1.397 HG3 :: 1.397 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 2.985 HE3 :: 2.985 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.399 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.17 D 0.15 Y 0.08 F 0.06 L 0.02 E 0.01 C Shift Assignments>> CA :: 53.306 CB :: 38.490 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 :: 8.215 HA :: 4.653 HB2 :: 2.839 HB3 :: 2.727 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 :: 119.287 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.31 K 0.12 Q 0.1 M 0.1 I 0.03 C Shift Assignments>> CA :: 56.347 CB :: 29.992 CG :: 35.712 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 :: 8.335 HA :: 4.278 HB2 :: 2.044 HB3 :: 1.901 HG2 :: 2.212 HG3 :: 2.212 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.920 Ave N Shift Values>> N :: 120.68(3.68) 1.N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.16 D 0.16 Y 0.07 F 0.05 L 0.02 E 0.01 C Shift Assignments>> CA :: 52.944 CB :: 38.536 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 :: 8.326 HA :: 4.716 HB2 :: 2.836 HB3 :: 2.734 HD21 :: 7.510 HD22 :: 6.818 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 :: 118.748 ND2 :: 112.017 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 A 0.03 R 0.02 HN Overlap>> 1.V59 1.V59 C Shift Assignments>> CA :: 55.223 CB :: 41.865 CG :: 26.603 CD1 :: 24.624 CD2 :: 22.998 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 :: 8.102 HA :: 4.301 HB2 :: 1.598 HB3 :: 1.598 HG :: 1.580 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 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 :: 122.247 Ave N Shift Values>> N :: 121.98(4.07) 1.G141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 HN Overlap>> 1.T90 1.T90 C Shift Assignments>> CA :: 44.645 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.251 HA2 :: 3.948 HA3 :: 3.948 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.612 Ave N Shift Values>> N :: 109.91(4.29) 1.S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.167 CB :: 63.084 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.073 HA :: 4.776 HB2 :: 3.805 HB3 :: 3.805 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 :: 116.388 Ave N Shift Values>> N :: 116.3(3.95) 1.P143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.035 CB :: 31.483 CG :: 26.792 CD :: 50.260 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 :: 4.400 HB2 :: 2.207 HB3 :: 1.851 HG2 :: 1.989 HG3 :: 1.989 HD2 :: 3.726 HD3 :: 3.726 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.E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 C 0.29 K 0.15 Q 0.14 M 0.07 I 0.03 HN Overlap>> 1.I19 1.I19 C Shift Assignments>> CA :: 56.456 CB :: 29.596 CG :: 35.492 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 :: 8.354 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 :: 120.028 Ave N Shift Values>> N :: 120.68(3.68) 1.H145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 Q 0.17 K 0.15 C 0.14 R 0.12 E 0.11 M 0.05 L 0.02 C Shift Assignments>> CA :: 54.878 CB :: 29.357 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 :: 8.123 HA :: 4.694 HB2 :: 3.252 HB3 :: 3.130 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 :: 117.219 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.17 N 0.15 C 0.11 K 0.08 F 0.07 Y 0.06 R 0.01 HN Overlap>> 1.Q132 1.Q132 C Shift Assignments>> CA :: 53.682 CB :: 40.927 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 :: 8.194 HA :: 4.901 HB2 :: 2.594 HB3 :: 2.594 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 :: 121.460 Ave N Shift Values>> N :: 120.73(4.2) 1.Q147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 C 0.27 Q 0.21 E 0.08 K 0.08 C Shift Assignments>> CA :: 54.903 CB :: 31.357 CG :: 33.643 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 :: 8.517 HA :: 4.464 HB2 :: 1.861 HB3 :: 2.110 HG2 :: 2.192 HG3 :: 2.192 HE21 :: 7.311 HE22 :: 6.699 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.926 NE2 :: 110.397 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L148 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.38 C 0.24 G 0.22 A 0.12 R 0.01 C Shift Assignments>> CA :: 52.490 CB :: 43.287 CG :: 24.874 CD1 :: 22.968 CD2 :: 25.813 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 :: 7.884 HA :: 5.214 HB2 :: 0.936 HB3 :: 1.655 HG :: 0.220(S) HD11 :: 0.459 HD12 :: 0.459 HD13 :: 0.459 HD21 :: 1.321 HD22 :: 1.321 HD23 :: 1.321 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.167 Ave N Shift Values>> N :: 121.98(4.07) 1.L149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 C 0.31 A 0.09 L 0.05 C Shift Assignments>> CA :: 52.635 CB :: 46.567 CG :: 25.812 CD1 :: 23.177 CD2 :: 27.286 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 :: 9.125 HA :: 4.823 HB2 :: 1.445 HB3 :: 1.681 HG :: 0.877 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 HD21 :: 1.552 HD22 :: 1.552 HD23 :: 1.552 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 :: 124.241 Ave N Shift Values>> N :: 121.98(4.07) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.34 M 0.18 I 0.02 K 0.01 Q 0.01 C Shift Assignments>> CA :: 55.784 CB :: 31.587 CG :: 36.811 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 :: 9.654 HA :: 4.544 HB2 :: 1.888 HB3 :: 1.830 HG2 :: 2.190 HG3 :: 2.286 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 :: 120.500 Ave N Shift Values>> N :: 120.68(3.68) 1.I151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> CA :: 62.499 CB :: 37.666 CG1 :: 28.046 CG2 :: 18.468 CD1 :: 13.387 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 :: 8.998 HA :: 3.989 HB :: 2.003 HG12 :: 1.772 HG13 :: 0.892 HG21 :: 0.941 HG22 :: 0.941 HG23 :: 0.941 HD11 :: 0.647 HD12 :: 0.647 HD13 :: 0.647 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.691 Ave N Shift Values>> N :: 121.6(4.72) 1.K152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.45 R 0.05 M 0.01 C Shift Assignments>> CA :: 55.183 CB :: 34.597 CG :: 23.854 CD :: 28.253 CE :: 41.615 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 :: 9.152 HA :: 4.613 HB2 :: 1.765 HB3 :: 1.494 HG2 :: 1.489 HG3 :: 1.374 HD2 :: 1.742 HD3 :: 1.742 HE2 :: 3.017 HE3 :: 2.980 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 :: 130.884 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 C 0.11 R 0.11 K 0.08 N 0.06 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> CA :: 52.572 CB :: 42.513 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 :: 7.925 HA :: 5.203 HB2 :: 2.648 HB3 :: 2.583 HD21 :: 6.711 HD22 :: 7.685 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 :: 114.605 ND2 :: 112.211 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> CA :: 60.640 CB :: 40.461 CG1 :: 28.202 CG2 :: 17.095 CD1 :: 14.077 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 :: 8.528 HA :: 4.617 HB :: 1.503 HG12 :: 0.980 HG13 :: 1.461 HG21 :: 0.526 HG22 :: 0.526 HG23 :: 0.526 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.832 Ave N Shift Values>> N :: 121.6(4.72) 1.K155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.33 R 0.07 A 0.02 M 0.01 G 0.01 C Shift Assignments>> CA :: 53.800 CB :: 36.214 CG :: 23.919 CD :: 28.857 CE :: 41.684 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 :: 8.524 HA :: 4.649 HB2 :: 1.711 HB3 :: 1.522 HG2 :: 1.309 HG3 :: 1.309 HD2 :: 1.600 HD3 :: 1.546 HE2 :: 2.900 HE3 :: 2.867 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 :: 126.186 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.23 F 0.15 E 0.13 I 0.06 N 0.05 D 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 56.887 CB :: 37.880 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 :: 8.585 HA :: 5.070 HB2 :: 2.813 HB3 :: 2.449 HD1 :: 6.834 HD2 :: 6.834 HE1 :: 6.648 HE2 :: 6.648 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 :: 123.426 Ave N Shift Values>> N :: 120.79(4.69) 1.V157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.21 A 0.01 I 0.01 C Shift Assignments>> CA :: 58.779 CB :: 34.840 CG1 :: 21.144 CG2 :: 18.565 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 :: 8.827 HA :: 4.640 HB :: 2.090 HG11 :: 0.763 HG12 :: 0.763 HG13 :: 0.763 HG21 :: 0.625 HG22 :: 0.625 HG23 :: 0.625 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 :: 118.598 Ave N Shift Values>> N :: 121.02(4.96) 1.R158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.31 K 0.19 L 0.04 G 0.02 C Shift Assignments>> CA :: 55.385 CB :: 29.912 CG :: 26.751 CD :: 42.676 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 :: 8.397 HA :: 4.295 HB2 :: 1.758 HB3 :: 1.693 HG2 :: 1.657 HG3 :: 1.564 HD2 :: 3.142 HD3 :: 3.142 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 :: 122.908 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.A159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.01 C Shift Assignments>> CA :: 51.692 CB :: 18.775 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.080 HA :: 4.204 HB1 :: 1.310 HB2 :: 1.310 HB3 :: 1.310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.397 Ave N Shift Values>> N :: 123.23(3.7) 1.N160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.18 C 0.15 Y 0.06 F 0.05 L 0.03 E 0.01 C Shift Assignments>> CA :: 52.766 CB :: 38.741 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 :: 8.573 HA :: 4.705 HB2 :: 2.823 HB3 :: 2.749 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 :: 119.368 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.18 R 0.16 C 0.12 G 0.09 K 0.05 N 0.03 F 0.02 Y 0.02 C Shift Assignments>> CA :: 52.641 CB :: 43.137 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 :: 7.570 HA :: 4.790 HB2 :: 2.668 HB3 :: 2.934 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.691 Ave N Shift Values>> N :: 120.73(4.2) 1.D162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.17 C 0.12 F 0.11 K 0.11 Y 0.1 N 0.08 R 0.02 C Shift Assignments>> CA :: 55.057 CB :: 40.803 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 :: 8.499 HA :: 4.327 HB2 :: 2.275 HB3 :: 2.275 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 :: 118.599 Ave N Shift Values>> N :: 120.73(4.2) 1.F163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 L 0.23 K 0.15 C 0.11 F 0.08 D 0.07 Y 0.05 G 0.01 C Shift Assignments>> CA :: 56.544 CB :: 42.805 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 :: 7.791 HA :: 5.153 HB2 :: 2.362 HB3 :: 2.572 HD1 :: 6.948 HD2 :: 6.948 HE1 :: 7.138 HE2 :: 7.138 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.943 Ave N Shift Values>> N :: 120.69(4.18) 1.V164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.4 C Shift Assignments>> CA :: 59.864 CB :: 33.875 CG1 :: 21.458 CG2 :: 18.793 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 :: 8.986 HA :: 4.688 HB :: 2.074 HG11 :: 0.799 HG12 :: 0.799 HG13 :: 0.799 HG21 :: 0.586 HG22 :: 0.586 HG23 :: 0.586 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 :: 112.967 Ave N Shift Values>> N :: 121.02(4.96) 1.F165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.24 L 0.1 R 0.01 C Shift Assignments>> CA :: 57.330 CB :: 46.285 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 :: 9.424 HA :: 5.841 HB2 :: 3.274 HB3 :: 2.640 HD1 :: 6.973 HD2 :: 6.973 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.552 Ave N Shift Values>> N :: 120.69(4.18) 1.S166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.196 CB :: 63.430 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.098 HA :: 4.554 HB2 :: 4.056 HB3 :: 3.514 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 :: 113.051 Ave N Shift Values>> N :: 116.3(3.95) 1.L167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 R 0.29 C 0.15 K 0.08 G 0.07 C Shift Assignments>> CA :: 54.522 CB :: 43.406 CG :: 26.192 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 :: 9.495 HA :: 4.965 HB2 :: 1.865 HB3 :: 1.865 HG :: 1.673 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 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 :: 119.627 Ave N Shift Values>> N :: 121.98(4.07) 1.N168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.29 C 0.13 L 0.07 F 0.04 Y 0.04 K 0.01 HN Overlap>> 1.S129 1.S129 C Shift Assignments>> CA :: 51.796 CB :: 39.984 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 :: 8.348 HA :: 5.056 HB2 :: 2.717 HB3 :: 2.717 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 :: 117.468 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 C Shift Assignments>> CA :: 50.392 CB :: 19.413 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.362 HA :: 4.800 HB1 :: 1.436 HB2 :: 1.436 HB3 :: 1.436 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.769 Ave N Shift Values>> N :: 123.23(3.7) 1.K170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.38 K 0.09 G 0.03 L 0.01 C Shift Assignments>> CA :: 56.521 CB :: 30.239 CG :: 27.163 CE :: 42.801 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 :: 8.596 HA :: 4.020 HB2 :: 1.195 HB3 :: 1.369 HG2 :: 1.641 HG3 :: 1.641 HE2 :: 3.095 HE3 :: 3.095 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 :: 120.949 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K171 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.I12 1.I12 H Shift Assignments>> H :: 8.268 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.684 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y172 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.57 G 0.24 C 0.12 F 0.03 Y 0.01 C Shift Assignments>> CA :: 67.478(A) CB :: 41.826 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>> HA :: 4.042 HB2 :: 3.284 HB3 :: 2.804 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) 1.H173 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.321 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 :: 118.476 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.42 D 0.28 C 0.13 L 0.06 F 0.04 Y 0.03 C Shift Assignments>> CA :: 51.440 CB :: 39.923 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 :: 4.669 HB2 :: 2.917 HB3 :: 2.638 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) 1.V175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.05 I 0.05 A 0.01 C Shift Assignments>> CA :: 58.654 CB :: 34.771 CG1 :: 22.678 CG2 :: 17.214 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 :: 7.574 HA :: 4.931 HB :: 2.259 HG11 :: 0.882 HG12 :: 0.882 HG13 :: 0.882 HG21 :: 0.628 HG22 :: 0.628 HG23 :: 0.628 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 :: 122.238 Ave N Shift Values>> N :: 121.02(4.96) 1.I176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> CA :: 60.667 CB :: 37.699 CG1 :: 26.843 CG2 :: 17.453 CD1 :: 13.245 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 :: 9.289 HA :: 4.626 HB :: 1.838 HG12 :: 0.645 HG13 :: 1.430 HG21 :: 0.518 HG22 :: 0.518 HG23 :: 0.518 HD11 :: 0.562 HD12 :: 0.562 HD13 :: 0.562 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 :: 121.570 Ave N Shift Values>> N :: 121.6(4.72) 1.I177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.27 A 0.1 G 0.01 HN Overlap>> 1.I8 1.I8 C Shift Assignments>> CA :: 57.025 CB :: 41.740 CG1 :: 25.254 CG2 :: 16.897 CD1 :: 14.820 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 :: 9.342 HA :: 5.427 HB :: 1.592 HG12 :: 1.130 HG13 :: 0.760 HG21 :: 0.342 HG22 :: 0.342 HG23 :: 0.342 HD11 :: 0.544 HD12 :: 0.544 HD13 :: 0.544 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 :: 119.988 Ave N Shift Values>> N :: 121.6(4.72) 1.N178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 N 0.27 E 0.13 Y 0.08 M 0.08 F 0.04 K 0.02 D 0.02 C Shift Assignments>> CA :: 53.912 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 :: 9.109 HA :: 4.104 HB2 :: 2.801 HB3 :: 3.371 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 :: 118.529 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.2 E 0.09 Q 0.08 I 0.03 M 0.02 R 0.02 C Shift Assignments>> CA :: 55.333 CB :: 26.147 CG :: 35.657 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 :: 8.088 HA :: 4.488 HB2 :: 2.060 HB3 :: 2.060 HG2 :: 2.342 HG3 :: 2.218 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 :: 125.894 Ave N Shift Values>> N :: 120.68(3.68) 1.N180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 M 0.2 E 0.12 K 0.1 Q 0.1 N 0.07 Y 0.03 H 0.01 C Shift Assignments>> CA :: 53.862 CB :: 35.177 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 :: 7.843 HA :: 3.758 HB2 :: 2.773 HB3 :: 3.306 HD21 :: 6.765 HD22 :: 7.359 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 :: 116.507 ND2 :: 112.424 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 HN Overlap>> 1.K44 1.K44 C Shift Assignments>> CA :: 61.760 CB :: 38.997 CG1 :: 27.672 CG2 :: 16.077 CD1 :: 15.430 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 :: 8.660 HA :: 3.892 HB :: 1.426 HG12 :: 0.688 HG13 :: 1.573 HG21 :: 0.177 HG22 :: 0.177 HG23 :: 0.177 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 :: 118.843 Ave N Shift Values>> N :: 121.6(4.72) 1.V182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> CA :: 61.265 CB :: 30.590 CG1 :: 21.177 CG2 :: 20.003 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 :: 8.637 HA :: 4.663 HB :: 1.929 HG11 :: 0.669 HG12 :: 0.669 HG13 :: 0.669 HG21 :: 0.576 HG22 :: 0.576 HG23 :: 0.576 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 :: 127.778 Ave N Shift Values>> N :: 121.02(4.96) 1.T183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 C 0.41 A 0.01 C Shift Assignments>> CA :: 60.846 CB :: 70.478 CG2 :: 17.559 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 :: 9.110 HA :: 4.899 HB :: 3.643 HG21 :: 1.341 HG22 :: 1.341 HG23 :: 1.341 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 :: 122.850 Ave N Shift Values>> N :: 115.7(5.05) 1.H184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.17 K 0.15 E 0.14 R 0.13 C 0.13 M 0.05 I 0.02 L 0.01 C Shift Assignments>> CA :: 56.249 CB :: 29.402 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 :: 7.690 HA :: 4.976 HB2 :: 4.131 HB3 :: 2.837 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 :: 120.000 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q185 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 173 #Clerical: 0 #Suspicious: 9 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 182 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 182 #Suspicious: 3 C Shift Results: #Consistent: 584 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent:1278 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 1 N Shift Results: #Consistent: 182 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.R22 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.M36 N = 106.082(A), Expected = 120.10, Std = 3.8800, ChiSquare = 3.0281e-04 1.R40 HD2 = 1.511(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.9344e-12 1.R40 SRO Rule Break>> HD2 > HB2 : 0.994969040247678 1.R40 SRO Rule Break>> HD2 > HG2 : 0.997606701236538 1.K69 HB3 = 0.348(S), Expected = 1.78, Std = 0.2600, ChiSquare = 3.6357e-08 1.K69 HG2 = 0.384(S), Expected = 1.38, Std = 0.2700, ChiSquare = 2.2524e-04 1.K69 HG3 = 0.139(S), Expected = 1.37, Std = 0.2900, ChiSquare = 2.1876e-05 1.K69 HD2 = 0.470(S), Expected = 1.61, Std = 0.2500, ChiSquare = 5.1154e-06 1.K69 HD3 = 0.470(S), Expected = 1.61, Std = 0.2500, ChiSquare = 5.1154e-06 1.K69 HE2 = 1.109(A), Expected = 2.93, Std = 0.2000, ChiSquare = 8.6266e-20 1.K69 HE3 = 1.544(S), Expected = 2.93, Std = 0.2000, ChiSquare = 4.2084e-12 1.K69 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.I77 HG12 = -0.088(S), Expected = 1.30, Std = 0.4000, ChiSquare = 5.2046e-04 1.I77 HG21 = -0.284(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.8554e-04 1.I77 HG22 = -0.284(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.8554e-04 1.I77 HG23 = -0.284(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.8554e-04 1.R85 HE = 9.033(S), Expected = 7.32, Std = 0.5200, ChiSquare = 9.8691e-04 1.S86 HA = 5.995(S), Expected = 4.51, Std = 0.4300, ChiSquare = 5.5339e-04 1.E88 HA = 5.832(S), Expected = 4.26, Std = 0.4300, ChiSquare = 2.5637e-04 1.P94 HD3 = 1.967(S), Expected = 3.63, Std = 0.4000, ChiSquare = 3.2175e-05 1.E110 HG3 = 1.283(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.0059e-06 1.L148 HG = 0.220(S), Expected = 1.54, Std = 0.3300, ChiSquare = 6.3342e-05 1.Y172 CA = 67.478(A), Expected = 58.02, Std = 2.6400, ChiSquare = 3.4022e-04