Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.R1 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.49 C 0.35 K 0.08 G 0.06 C Shift Assignments>> CA :: 55.492 CB :: 30.867 CG :: 26.457 CD :: 43.316 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 3.969 HB2 :: 1.894 HB3 :: 1.894 HG2 :: 1.654 HG3 :: 1.654 HD2 :: 3.156 HD3 :: 3.156 HE :: 7.197 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> NE :: 113.868(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 D 0.24 Y 0.16 F 0.14 L 0.05 E 0.05 C Shift Assignments>> CA :: 52.775 CB :: 37.967 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.669 HA :: 4.778 HB2 :: 2.806 HB3 :: 2.869 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.625 Ave N Shift Values>> N :: 120.65(3.86) 1.C3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.25 D 0.16 G 0.07 C 0.04 K 0.04 F 0.04 Y 0.02 C Shift Assignments>> CA :: 53.912 CB :: 43.345 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.661 HA :: 4.790 HB2 :: 2.750 HB3 :: 3.099 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.713 Ave N Shift Values>> N :: 120.17(4.64) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.81 E 0.13 K 0.04 C Shift Assignments>> CB :: 32.094 CG :: 33.538 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.770 HA :: 4.440 HB2 :: 1.807 HB3 :: 2.005 HG2 :: 1.890 HG3 :: 2.536 HE21 :: 6.306 HE22 :: 8.275 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.330 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.33 C 0.25 R 0.06 E 0.01 C Shift Assignments>> CA :: 53.922 CB :: 29.327 CG :: 32.961 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.629 HA :: 4.043 HB2 :: 1.548 HB3 :: 2.189 HG2 :: 2.360 HG3 :: 2.490 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.832 Ave N Shift Values>> N :: 120.67(3.48) 1.K6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 K 0.45 R 0.04 C Shift Assignments>> CA :: 59.015 CB :: 32.388 CG :: 25.021 CD :: 29.675 CE :: 41.561 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.670 HA :: 3.151 HB2 :: 1.276 HB3 :: 1.276 HG2 :: 0.041(S) HG3 :: 0.550 HD2 :: 1.216 HD3 :: 1.216 HE2 :: 2.258(S) HE3 :: 2.477 HZ1 :: 7.359(U) HZ2 :: 7.359(U) HZ3 :: 7.359(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.543 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 C 0.42 C Shift Assignments>> CA :: 58.717 CB :: 27.295 CD1 :: 126.765 CE3 :: 121.058 CZ2 :: 114.185 CZ3 :: 121.584 CH2 :: 124.212 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.913 HA :: 4.048 HB2 :: 3.410 HB3 :: 3.670 HD1 :: 6.993 HE1 :: 9.952 HE3 :: 7.425 HZ2 :: 7.424 HZ3 :: 6.960 HH2 :: 7.131 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 115.545 NE1 :: 127.049 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.49 K 0.34 E 0.11 I 0.02 R 0.01 C Shift Assignments>> CB :: 29.536 CG :: 34.064 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.779 HA :: 4.413 HB2 :: 2.068 HB3 :: 2.068 HG2 :: 2.234 HG3 :: 2.259 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.184 Ave N Shift Values>> N :: 120.67(3.48) 1.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 C 0.26 F 0.24 C Shift Assignments>> CA :: 59.058 CB :: 39.219 CD2 :: 133.364 CE2 :: 117.947 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.863 HA :: 4.924 HB2 :: 2.711 HB3 :: 3.032 HD1 :: 7.282 HD2 :: 7.282 HE1 :: 6.727 HE2 :: 6.727 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.021 Ave N Shift Values>> N :: 120.52(4.2) 1.C10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.34 L 0.21 F 0.15 Y 0.12 C 0.08 K 0.06 C Shift Assignments>> CA :: 54.821 CB :: 40.569 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.273 HA :: 4.933 HB2 :: 2.457 HB3 :: 2.914 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 G 0.03 C Shift Assignments>> CB :: 42.112 CG1 :: 26.722 CG2 :: 17.847 CD1 :: 13.501 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.313 HA :: 4.410 HB :: 1.598 HG12 :: 0.937 HG13 :: 1.289 HG21 :: 0.747 HG22 :: 0.747 HG23 :: 0.747 HD11 :: 0.734 HD12 :: 0.734 HD13 :: 0.734 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.502 Ave N Shift Values>> N :: 121.46(4.28) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.7 V 0.29 C Shift Assignments>> CA :: 57.736 CB :: 34.704 CG1 :: 21.426 CG2 :: 20.635 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.218 HA :: 4.521 HB :: 2.035 HG11 :: 0.869 HG12 :: 0.869 HG13 :: 0.869 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> CA :: 64.402 CB :: 31.742 CG :: 27.509 CD :: 50.568 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.119 HB2 :: 2.164 HB3 :: 1.796 HG2 :: 1.781 HG3 :: 1.388 HD2 :: 3.590 HD3 :: 3.654 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.76 I 0.2 G 0.03 C Shift Assignments>> CA :: 55.871 CB :: 42.329 CG1 :: 27.762 CG2 :: 17.629 CD1 :: 12.771 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.703 HA :: 4.117 HB :: 1.378 HG12 :: 1.083 HG13 :: 1.388 HG21 :: 0.813 HG22 :: 0.813 HG23 :: 0.813 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.L15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.406 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.983 HA2 :: 4.068 HA3 :: 3.376 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.027 Ave N Shift Values>> N :: 109.67(3.87) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.79 F 0.2 C Shift Assignments>> CB :: 39.503 CD1 :: 131.853 CE1 :: 133.353 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.690 HA :: 4.509 HB2 :: 2.788 HB3 :: 2.978 HD1 :: 7.146 HD2 :: 7.146 HE1 :: 6.724 HE2 :: 6.724 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.75 V 0.24 C Shift Assignments>> CA :: 58.728 CB :: 35.994 CG1 :: 21.621 CG2 :: 21.562 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.549 HA :: 4.893 HB :: 1.681 HG11 :: 0.761 HG12 :: 0.761 HG13 :: 0.761 HG21 :: 0.592 HG22 :: 0.592 HG23 :: 0.592 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.69 F 0.3 C Shift Assignments>> CB :: 39.210 CD1 :: 133.043 CE2 :: 117.939 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.528 HA :: 4.419 HB2 :: 2.770 HB3 :: 3.003 HD1 :: 6.975 HD2 :: 6.975 HE1 :: 6.665 HE2 :: 6.665 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.32 L 0.21 F 0.16 Y 0.13 C 0.08 K 0.05 I 0.01 C Shift Assignments>> CA :: 55.045 CB :: 40.529 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.399 HA :: 4.912 HB2 :: 2.477 HB3 :: 2.940 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Y 0.18 D 0.17 F 0.14 E 0.09 L 0.04 I 0.01 C Shift Assignments>> CA :: 53.306 CB :: 37.726 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.291 HA :: 4.628 HB2 :: 2.220 HB3 :: 3.192 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.142 Ave N Shift Values>> N :: 120.17(4.64) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> CA :: 64.242 CB :: 31.749 CG :: 27.773 CD :: 50.470 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.216 HB2 :: 2.228 HB3 :: 1.724 HG2 :: 1.959 HG3 :: 2.051 HD2 :: 3.503 HD3 :: 3.842 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.618 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.603 HA2 :: 4.205 HA3 :: 3.425 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.521 Ave N Shift Values>> N :: 109.67(3.87) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.36 C 0.14 R 0.03 C Shift Assignments>> CA :: 52.692 CB :: 44.385 CG :: 26.543 CD1 :: 26.778 CD2 :: 22.960 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.774 HA :: 4.706 HB2 :: 1.013 HB3 :: 2.021 HG :: 1.244 HD11 :: 0.659 HD12 :: 0.659 HD13 :: 0.659 HD21 :: 0.487 HD22 :: 0.487 HD23 :: 0.487 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.440 Ave N Shift Values>> N :: 121.86(3.9) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 G 0.05 C Shift Assignments>> CB :: 42.336 CG1 :: 26.785 CG2 :: 17.558 CD1 :: 13.343 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.265 HA :: 4.438 HB :: 1.625 HG12 :: 0.931 HG13 :: 1.263 HG21 :: 0.745 HG22 :: 0.745 HG23 :: 0.745 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.487 Ave N Shift Values>> N :: 121.46(4.28) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 D 0.22 L 0.13 C 0.12 I 0.03 K 0.01 C Shift Assignments>> CA :: 55.914 CB :: 39.778 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.668 HA :: 4.624 HB2 :: 2.936 HB3 :: 2.987 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.741 Ave N Shift Values>> N :: 120.17(4.64) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.3 D 0.07 K 0.07 F 0.06 Y 0.03 G 0.03 C 0.03 I 0.01 C Shift Assignments>> CA :: 43.012 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.330 HA2 :: 4.396 HA3 :: 3.623 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.253 Ave N Shift Values>> N :: 109.67(3.87) 1.P28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.94 P 0.05 C Shift Assignments>> CA :: 62.587 CB :: 27.868(S) CG :: 27.520 CD :: 50.176 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.490 HB2 :: 2.282 HB3 :: 1.772 HG2 :: 1.974 HG3 :: 2.053 HD2 :: 3.611 HD3 :: 3.611 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 D 0.17 Y 0.08 F 0.08 L 0.02 E 0.02 C Shift Assignments>> CA :: 50.361 CB :: 37.549 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.257 HA :: 3.643 HB2 :: 3.508 HB3 :: 3.634 HD1 :: 7.254 HD2 :: 7.254 HE1 :: 7.318 HE2 :: 7.318 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 110.773 Ave N Shift Values>> N :: 120.45(4.18) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.14 C Shift Assignments>> CA :: 58.219 CB :: 36.646 CG1 :: 21.553 CG2 :: 21.559 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.842 HA :: 4.998 HB :: 1.602 HG11 :: 0.597 HG12 :: 0.597 HG13 :: 0.597 HG21 :: 0.710 HG22 :: 0.710 HG23 :: 0.710 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 108.125 Ave N Shift Values>> N :: 121.14(4.54) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 F 0.16 Y 0.13 K 0.08 C 0.08 I 0.01 C Shift Assignments>> CA :: 55.292 CB :: 40.733 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.515 HA :: 4.931 HB2 :: 2.464 HB3 :: 3.013 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.703 Ave N Shift Values>> N :: 120.17(4.64) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.27 C Shift Assignments>> CA :: 59.273 CB :: 34.730 CG1 :: 23.298 CG2 :: 21.940 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.485 HA :: 4.226 HB :: 2.063 HG11 :: 0.810 HG12 :: 0.810 HG13 :: 0.810 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.995 Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 29 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 31 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 32 #Suspicious: 0 C Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 216 #Duplicate: 0 #Unknown: 3 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 21 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.R1 NE = 113.868(A), Expected = 84.63, Std = 1.6800, ChiSquare = 7.7516e-68 1.K6 HG2 = 0.041(S), Expected = 1.37, Std = 0.2600, ChiSquare = 3.1955e-07 1.K6 HE2 = 2.258(S), Expected = 2.92, Std = 0.1900, ChiSquare = 4.9359e-04 1.K6 HZ1 = 7.359(U) 1.K6 HZ2 = 7.359(U) 1.K6 HZ3 = 7.359(U) 1.P28 CB = 27.868(S), Expected = 31.85, Std = 1.1800, ChiSquare = 7.3929e-04