Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.38 L 0.29 G 0.1 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 43.547 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.997 HA3 :: 3.997 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.137 CA :: 63.286 CB :: 32.326 CG :: 27.106 CD :: 49.693 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 :: 4.475 HB2 :: 1.913 HB3 :: 2.313 HG2 :: 2.007 HG3 :: 2.007 HD2 :: 3.586 HD3 :: 3.610 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.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.37 A 0.11 C Shift Assignments>> C :: 176.405 CA :: 55.723 CB :: 32.642 CG :: 32.114 CE :: 16.974 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.610 HA :: 4.451 HB2 :: 2.018 HB3 :: 2.018 HG2 :: 2.507 HG3 :: 2.507 HE1 :: 1.920 HE2 :: 1.920 HE3 :: 1.920 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.372 Ave N Shift Values>> N :: 120.09(3.57) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.01 C Shift Assignments>> C :: 177.630 CA :: 53.049 CB :: 19.078 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.214 HA :: 4.228 HB1 :: 1.345 HB2 :: 1.345 HB3 :: 1.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.885 Ave N Shift Values>> N :: 123.23(3.54) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T61 1.T61 C Shift Assignments>> C :: 174.511 CA :: 58.550 CB :: 63.642 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.969 HA :: 4.169 HB2 :: 3.699 HB3 :: 3.818 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.667 Ave N Shift Values>> N :: 116.28(3.52) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.3 K 0.08 G 0.07 L 0.05 C Shift Assignments>> C :: 176.448 CA :: 55.062 CB :: 29.389 CG :: 26.719 CD :: 43.347 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.125 HA :: 3.893 HB2 :: 1.288 HB3 :: 1.099 HG2 :: 1.425 HG3 :: 1.425 HD2 :: 2.995 HD3 :: 3.098 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.346 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.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.42 G 0.05 K 0.05 C Shift Assignments>> C :: 174.821 CA :: 58.100 CB :: 29.834 CG :: 27.572 CD :: 43.288 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.365 HA :: 4.077 HB2 :: 1.907 HB3 :: 1.659 HG2 :: 1.742 HG3 :: 1.600 HD2 :: 3.227 HD3 :: 3.185 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.602 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.W8 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>> C :: 175.138 CA :: 54.552 CB :: 29.507 CD1 :: 129.335 CE3 :: 121.713 CZ2 :: 114.292 CZ3 :: 120.440 CH2 :: 123.355 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 :: 6.374 HA :: 4.891 HB2 :: 2.905 HB3 :: 3.689 HD1 :: 7.396 HE1 :: 10.577 HE3 :: 7.534 HZ2 :: 7.482 HZ3 :: 6.719 HH2 :: 6.653 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 :: 110.760 NE1 :: 131.486 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 173.415 CA :: 57.028 CB :: 39.347 CD1 :: 131.630 CD2 :: 131.630 CE1 :: 130.802 CE2 :: 130.802 CZ :: 129.624 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 :: 7.660 HA :: 5.286 HB2 :: 2.336 HB3 :: 2.800 HD1 :: 7.052 HD2 :: 7.052 HE1 :: 7.252 HE2 :: 7.252 HZ :: 7.531 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 :: 123.976 Ave N Shift Values>> N :: 120.45(4.18) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 H 0.32 W 0.1 Y 0.01 HN Overlap>> 1.Q59 1.Q59 C Shift Assignments>> CA :: 52.425 CB :: 33.356 CD2 :: 117.377 CE1 :: 135.592 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.720 HA :: 4.945 HB2 :: 2.769 HB3 :: 3.062 HD2 :: 7.373 HE1 :: 7.305 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 129.883 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 178.120 CA :: 63.567 CB :: 32.813 CG :: 26.869 CD :: 51.085 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 :: 4.021 HB2 :: 2.408 HB3 :: 1.946 HG2 :: 2.018 HG3 :: 1.942 HD2 :: 3.872 HD3 :: 3.615 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.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.37 C 0.12 C Shift Assignments>> C :: 174.704 CA :: 53.761 CB :: 39.326 CG :: 177.805 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.501 HA :: 4.886 HB2 :: 2.790 HB3 :: 2.982 HD21 :: 7.657 HD22 :: 6.946 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.517 ND2 :: 113.366 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.46 C Shift Assignments>> C :: 175.424 CA :: 60.490 CB :: 41.573 CG1 :: 26.158 CG2 :: 17.768 CD1 :: 15.101 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 :: 6.799 HA :: 4.876 HB :: 1.981 HG12 :: 1.314 HG13 :: 1.392 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 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 :: 113.451 Ave N Shift Values>> N :: 121.46(4.28) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 C Shift Assignments>> C :: 175.830 CA :: 60.217 CB :: 71.742 CG2 :: 21.723 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.372 HA :: 4.728 HB :: 4.727 HG21 :: 1.325 HG22 :: 1.325 HG23 :: 1.325 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.024 Ave N Shift Values>> N :: 115.42(4.75) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 P 0.24 A 0.11 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 175.505 CA :: 48.074 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.496 HA2 :: 3.644 HA3 :: 3.563 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.500 Ave N Shift Values>> N :: 109.67(3.87) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 178.647 CA :: 66.057 CB :: 31.930 CG1 :: 20.955 CG2 :: 22.259 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 :: 7.913 HA :: 3.671 HB :: 1.849 HG11 :: 0.886 HG12 :: 0.886 HG13 :: 0.886 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.585 Ave N Shift Values>> N :: 121.14(4.54) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.31 I 0.19 K 0.02 M 0.02 C Shift Assignments>> C :: 179.647 CA :: 59.256 CB :: 29.942 CG :: 37.209 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 :: 7.447 HA :: 4.095 HB2 :: 1.993 HB3 :: 2.296 HG2 :: 2.358 HG3 :: 2.288 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 :: 120.741 Ave N Shift Values>> N :: 120.67(3.48) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.38 C 0.04 I 0.02 V 0.01 C Shift Assignments>> C :: 178.786 CA :: 55.139 CB :: 18.946 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.638 HA :: 3.863 HB1 :: 1.531 HB2 :: 1.531 HB3 :: 1.531 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.196 Ave N Shift Values>> N :: 123.23(3.54) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.36 E 0.18 K 0.03 C Shift Assignments>> C :: 177.195 CA :: 60.707 CB :: 28.628 CG :: 36.614 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.189 HA :: 3.863 HB2 :: 2.292 HB3 :: 2.178 HG2 :: 2.756 HG3 :: 2.098 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.789 Ave N Shift Values>> N :: 120.67(3.48) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 N 0.28 D 0.08 C Shift Assignments>> C :: 178.625 CA :: 57.040 CB :: 38.775 CG :: 175.554 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.660 HA :: 4.429 HB2 :: 2.817 HB3 :: 2.877 HD21 :: 7.716 HD22 :: 6.914 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.083 ND2 :: 112.779 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.4 R 0.04 G 0.02 C Shift Assignments>> C :: 178.977 CA :: 58.398 CB :: 42.661 CG :: 26.807 CD1 :: 24.035 CD2 :: 25.038 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.493 HA :: 3.936 HB2 :: 1.716 HB3 :: 1.329 HG :: 1.645 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 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 :: 121.928 Ave N Shift Values>> N :: 121.86(3.9) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.29 L 0.22 G 0.02 K 0.01 C Shift Assignments>> C :: 179.574 CA :: 58.132 CB :: 42.554 CG :: 27.827 CD1 :: 24.186 CD2 :: 26.941 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.311 HA :: 3.676 HB2 :: 1.910 HB3 :: 0.994 HG :: 1.606 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 HD21 :: 0.609 HD22 :: 0.609 HD23 :: 0.609 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 :: 118.599 Ave N Shift Values>> N :: 121.86(3.9) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.41 A 0.03 R 0.01 C Shift Assignments>> C :: 177.873 CA :: 56.903 CB :: 41.311 CG :: 26.948 CD1 :: 25.284 CD2 :: 21.700 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.361 HA :: 4.149 HB2 :: 1.938 HB3 :: 1.467 HG :: 1.701 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 0.620 HD22 :: 0.620 HD23 :: 0.620 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.111 Ave N Shift Values>> N :: 121.86(3.9) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.334 CA :: 63.657 CB :: 70.594 CG2 :: 21.512 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.751 HA :: 4.445 HB :: 4.167 HG1 :: 5.105 HG21 :: 1.297 HG22 :: 1.297 HG23 :: 1.297 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.197 Ave N Shift Values>> N :: 115.42(4.75) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 G 0.1 K 0.04 C Shift Assignments>> C :: 176.605 CA :: 55.695 CB :: 31.968 CG :: 27.157 CD :: 43.658 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.456 HA :: 4.667 HB2 :: 2.001 HB3 :: 1.843 HG2 :: 1.711 HG3 :: 1.735 HD2 :: 3.183 HD3 :: 3.183 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.165 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.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.3 G 0.19 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.105 CA :: 43.845 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.052 HA2 :: 4.465 HA3 :: 3.743 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.858 Ave N Shift Values>> N :: 109.67(3.87) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 V 0.05 A 0.01 C Shift Assignments>> C :: 176.256 CA :: 59.135 CB :: 36.027 CG1 :: 18.487 CG2 :: 21.902 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.959 HA :: 4.453 HB :: 2.268 HG11 :: 0.615 HG12 :: 0.615 HG13 :: 0.615 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 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 :: 109.967 Ave N Shift Values>> N :: 121.14(4.54) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 I 0.11 D 0.04 L 0.03 N 0.02 E 0.01 C Shift Assignments>> C :: 177.013 CA :: 57.823 CB :: 39.024 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 :: 8.943 HA :: 4.379 HB2 :: 2.713 HB3 :: 3.014 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.014 Ave N Shift Values>> N :: 120.65(3.86) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 175.871 CA :: 44.880 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.683 HA2 :: 4.652 HA3 :: 3.959 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.248 Ave N Shift Values>> N :: 109.67(3.87) 1.S30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.849 CA :: 60.687 CB :: 64.398 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.355 HA :: 6.221(S) HB2 :: 3.990 HB3 :: 4.101 HG :: 6.723 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.389 Ave N Shift Values>> N :: 116.28(3.52) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.19 F 0.17 Y 0.02 C Shift Assignments>> C :: 170.515 CA :: 55.775 CB :: 44.125 CD1 :: 129.895 CD2 :: 129.895 CE1 :: 130.476 CE2 :: 130.476 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 :: 8.084 HA :: 5.789 HB2 :: 2.948 HB3 :: 2.948 HD1 :: 7.025 HD2 :: 7.025 HE1 :: 6.499 HE2 :: 6.499 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.676 Ave N Shift Values>> N :: 120.45(4.18) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.23 L 0.17 R 0.01 C Shift Assignments>> C :: 174.621 CA :: 54.215 CB :: 44.909 CG :: 25.510 CD1 :: 24.916 CD2 :: 27.084 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.204 HA :: 5.084 HB2 :: 2.113 HB3 :: 2.042 HG :: 1.709 HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 HD21 :: 0.251 HD22 :: 0.251 HD23 :: 0.251 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 :: 115.048 Ave N Shift Values>> N :: 121.86(3.9) 1.A33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.44 A 0.24 C 0.21 K 0.04 P 0.03 C Shift Assignments>> C :: 174.410 CA :: 50.054 CB :: 23.398 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.625 HA :: 6.155(S) HB1 :: 1.804 HB2 :: 1.804 HB3 :: 1.804 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.932 Ave N Shift Values>> N :: 123.23(3.54) 1.R34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.36 C 0.31 G 0.27 L 0.01 K 0.01 C Shift Assignments>> CA :: 54.067 CB :: 30.083 CG :: 26.126 CD :: 44.123 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.219 HA :: 5.103 HB2 :: 1.981 HB3 :: 1.686 HG2 :: 1.509 HG3 :: 1.604 HD2 :: 3.025 HD3 :: 2.568 HE :: 6.897 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.343 NE :: 106.091(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.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.41 C Shift Assignments>> C :: 176.700 CA :: 63.264 CB :: 32.513 CG :: 28.670 CD :: 51.503 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 :: 4.862 HB2 :: 1.919 HB3 :: 2.657 HG2 :: 2.264 HG3 :: 2.410 HD2 :: 3.864 HD3 :: 4.101 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.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.779 CA :: 57.591 CB :: 64.029 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.842 HA :: 4.678 HB2 :: 3.612 HB3 :: 3.623 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.116 Ave N Shift Values>> N :: 116.28(3.52) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.4 R 0.16 C Shift Assignments>> C :: 178.197 CA :: 57.147 CB :: 32.986 CG :: 24.678 CD :: 28.605 CE :: 42.185 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 :: 10.133 HA :: 4.345 HB2 :: 2.028 HB3 :: 2.028 HG2 :: 1.499 HG3 :: 1.499 HD2 :: 1.732 HD3 :: 1.732 HE2 :: 2.982 HE3 :: 2.982 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 :: 131.305 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.260 CA :: 60.987 CB :: 62.882 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.053 HA :: 4.102 HB2 :: 3.777 HB3 :: 3.905 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.996 Ave N Shift Values>> N :: 116.28(3.52) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.3 C 0.07 HN Overlap>> 1.H87 1.H87 1.E71 1.E71 C Shift Assignments>> CA :: 50.610 CB :: 39.359 CG :: 178.149 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.102 HA :: 5.119 HB2 :: 2.589 HB3 :: 2.885 HD21 :: 6.726 HD22 :: 7.536 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.821 ND2 :: 112.778 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.523 CA :: 64.454 CB :: 31.549 CG :: 27.619 CD :: 50.217 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 :: 4.299 HB2 :: 1.902 HB3 :: 2.319 HG2 :: 1.963 HG3 :: 2.119 HD2 :: 3.522 HD3 :: 3.594 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.G41 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>> C :: 174.220 CA :: 45.390 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.937 HA2 :: 3.566 HA3 :: 4.476 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.612 Ave N Shift Values>> N :: 109.67(3.87) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.27 K 0.13 R 0.07 N 0.06 F 0.06 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.610 CA :: 53.618 CB :: 42.002 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 :: 8.120 HA :: 5.118 HB2 :: 3.252 HB3 :: 3.340 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 :: 119.787 Ave N Shift Values>> N :: 120.65(3.86) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 F 0.32 Y 0.17 C 0.11 C Shift Assignments>> C :: 173.514 CA :: 57.038 CB :: 44.321 CD1 :: 131.399 CD2 :: 131.399 CE1 :: 131.907 CE2 :: 131.907 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 :: 8.946 HA :: 5.430 HB2 :: 2.842 HB3 :: 3.349 HD1 :: 7.331 HD2 :: 7.331 HE1 :: 7.554 HE2 :: 7.554 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.545 Ave N Shift Values>> N :: 120.45(4.18) 1.T44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 173.506 CA :: 62.247 CB :: 73.201 CG2 :: 25.590(S) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.642 HA :: 5.262 HB :: 3.732 HG21 :: 1.518 HG22 :: 1.518 HG23 :: 1.518 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.703 Ave N Shift Values>> N :: 115.42(4.75) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.35 C 0.13 C Shift Assignments>> C :: 175.794 CA :: 53.462 CB :: 45.113 CG :: 27.013 CD1 :: 24.265 CD2 :: 24.764 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.583 HA :: 5.351 HB2 :: 1.704 HB3 :: 1.463 HG :: 1.664 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.641 HD22 :: 0.641 HD23 :: 0.641 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 :: 126.379 Ave N Shift Values>> N :: 121.86(3.9) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.387 CA :: 58.968 CB :: 64.991 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.248 HA :: 5.207 HB2 :: 3.354 HB3 :: 3.392 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.106 Ave N Shift Values>> N :: 116.28(3.52) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.36 C Shift Assignments>> C :: 173.736 CA :: 60.095 CB :: 35.701 CG1 :: 20.790 CG2 :: 20.932 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 :: 8.951 HA :: 4.814 HB :: 1.734 HG11 :: 0.802 HG12 :: 0.802 HG13 :: 0.802 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 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 :: 123.637 Ave N Shift Values>> N :: 121.14(4.54) 1.R48 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.46 C 0.34 G 0.16 K 0.02 C Shift Assignments>> C :: 175.550 CA :: 54.761 CB :: 31.854 CG :: 26.962 CD :: 43.875 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.221 HA :: 5.238 HB2 :: 2.277 HB3 :: 1.355 HG2 :: 1.522 HG3 :: 1.810 HD2 :: 2.632 HD3 :: 2.702 HE :: 7.292 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.495 NE :: 107.384(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.R49 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.4 C 0.38 G 0.12 K 0.07 C Shift Assignments>> C :: 174.929 CA :: 55.391 CB :: 32.045 CG :: 26.135 CD :: 43.727 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.462 HA :: 4.643 HB2 :: 1.793 HB3 :: 1.968 HG2 :: 1.496 HG3 :: 1.703 HD2 :: 3.030 HD3 :: 3.187 HE :: 7.622 HH11 :: 6.782 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 130.390 NE :: 107.946(A) NH1 :: 119.079(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.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.27 D 0.14 E 0.01 C Shift Assignments>> C :: 175.406 CA :: 54.384 CB :: 37.550 CG :: 177.889 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.316 HA :: 4.415 HB2 :: 3.061 HB3 :: 2.721 HD21 :: 7.683 HD22 :: 6.916 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.677 ND2 :: 112.949 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.243 CA :: 46.026 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.552 HA2 :: 3.516 HA3 :: 4.056 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.194 Ave N Shift Values>> N :: 109.67(3.87) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 L 0.21 C 0.1 C Shift Assignments>> C :: 174.892 CA :: 50.491 CB :: 22.143 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.007 HA :: 4.723 HB1 :: 1.432 HB2 :: 1.432 HB3 :: 1.432 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.029 Ave N Shift Values>> N :: 123.23(3.54) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 174.827 CA :: 61.109 CB :: 34.134 CG1 :: 21.943 CG2 :: 22.651 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 :: 8.667 HA :: 4.903 HB :: 1.747 HG11 :: 0.264 HG12 :: 0.264 HG13 :: 0.264 HG21 :: 0.799 HG22 :: 0.799 HG23 :: 0.799 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.002 Ave N Shift Values>> N :: 121.14(4.54) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 171.265 CA :: 60.521 CB :: 71.018 CG2 :: 20.194 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.865 HA :: 4.649 HB :: 3.660 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.128 Ave N Shift Values>> N :: 115.42(4.75) 1.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 C 0.31 W 0.28 C Shift Assignments>> C :: 174.520 CA :: 54.462 CB :: 32.794 CD2 :: 121.939 CE1 :: 137.627 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.296 HA :: 5.491 HB2 :: 2.244 HB3 :: 2.330 HD2 :: 7.199 HE1 :: 7.506 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.769 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 C Shift Assignments>> C :: 175.270 CA :: 59.077 CB :: 41.400 CG1 :: 26.808 CG2 :: 18.740 CD1 :: 13.096 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.775 HA :: 4.899 HB :: 1.937 HG12 :: 1.373 HG13 :: 1.094 HG21 :: 1.027 HG22 :: 1.027 HG23 :: 1.027 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.997 Ave N Shift Values>> N :: 121.46(4.28) 1.K57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.41 R 0.07 C Shift Assignments>> C :: 175.781 CA :: 58.687 CB :: 34.155 CG :: 25.954 CD :: 29.022 CE :: 41.377 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.887 HA :: 4.632 HB2 :: 1.846 HB3 :: 2.116 HG2 :: 1.440 HG3 :: 1.572 HD2 :: 1.351 HD3 :: 1.449 HE2 :: 2.268(S) HE3 :: 2.152(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.588 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.676 CA :: 60.323 CB :: 39.745 CG1 :: 26.530 CG2 :: 17.937 CD1 :: 14.633 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 :: 8.776 HA :: 4.726 HB :: 2.021 HG12 :: 1.807 HG13 :: 0.974 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 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 :: 120.992 Ave N Shift Values>> N :: 121.46(4.28) 1.Q59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 Q 0.34 E 0.24 HN Overlap>> 1.H10 1.H10 C Shift Assignments>> C :: 174.399 CA :: 55.684 CB :: 28.128 CG :: 35.460 CD :: 179.948 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 :: 8.782 HA :: 3.965 HB2 :: 2.165 HB3 :: -0.247(S) HG2 :: 1.701 HG3 :: 1.837 HE21 :: 6.462 HE22 :: 8.983(S) 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 :: 129.844 NE2 :: 114.586 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.77 D 0.16 C 0.06 C Shift Assignments>> C :: 176.413 CA :: 50.505 CB :: 39.884 CG :: 176.546 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.369 HA :: 4.885 HB2 :: 2.636 HB3 :: 3.252 HD21 :: 7.511 HD22 :: 6.652 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.922 ND2 :: 109.383 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.S5 1.S5 C Shift Assignments>> C :: 175.337 CA :: 61.525 CB :: 70.022 CG2 :: 20.714 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.050 HA :: 4.281 HB :: 4.208 HG21 :: 0.566 HG22 :: 0.566 HG23 :: 0.566 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.672 Ave N Shift Values>> N :: 115.42(4.75) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.03 C Shift Assignments>> C :: 173.763 CA :: 45.639 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.022 HA2 :: 3.439 HA3 :: 4.375 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.035 Ave N Shift Values>> N :: 109.67(3.87) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.23 D 0.16 K 0.09 F 0.05 C 0.04 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> C :: 174.988 CA :: 54.643 CB :: 42.925 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.429 HA :: 4.720 HB2 :: 2.696 HB3 :: 2.329 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 :: 117.221 Ave N Shift Values>> N :: 120.65(3.86) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 172.276 CA :: 56.790 CB :: 39.913 CD1 :: 133.733 CD2 :: 133.733 CE1 :: 118.319 CE2 :: 118.319 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 :: 7.174 HA :: 4.958 HB2 :: 2.916 HB3 :: 3.048 HD1 :: 6.682 HD2 :: 6.682 HE1 :: 6.600 HE2 :: 6.600 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.108 Ave N Shift Values>> N :: 120.52(4.2) 1.Y65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.76 C 0.22 G 0.01 C Shift Assignments>> C :: 175.912 CA :: 56.109 CB :: 41.936 CD1 :: 132.636 CD2 :: 132.636 CE1 :: 118.344 CE2 :: 118.344 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 :: 9.693 HA :: 5.906 HB2 :: 2.657 HB3 :: 2.835 HD1 :: 6.926 HD2 :: 6.926 HE1 :: 6.882 HE2 :: 6.882 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.924 Ave N Shift Values>> N :: 120.52(4.2) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.24 R 0.14 K 0.11 F 0.05 C 0.04 N 0.03 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.798 CA :: 53.720 CB :: 42.510 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 :: 9.111 HA :: 4.889 HB2 :: 2.888 HB3 :: 2.988 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 :: 121.039 Ave N Shift Values>> N :: 120.65(3.86) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.41 R 0.01 C Shift Assignments>> C :: 177.914 CA :: 53.169 CB :: 40.543 CG :: 26.267 CD1 :: 25.477 CD2 :: 27.912 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 :: 7.401 HA :: 5.448 HB2 :: 1.932 HB3 :: 1.735 HG :: 1.894 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 0.611 HD22 :: 0.611 HD23 :: 0.611 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 :: 118.252 Ave N Shift Values>> N :: 121.86(3.9) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 W 0.05 C Shift Assignments>> C :: 175.500 CA :: 61.492 CB :: 34.456 CD1 :: 129.929 CD2 :: 129.929 CE1 :: 118.373 CE2 :: 118.373 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.387 HA :: 3.696 HB2 :: 3.245 HB3 :: 3.391 HD1 :: 7.039 HD2 :: 7.039 HE1 :: 6.655 HE2 :: 6.655 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 :: 115.667 Ave N Shift Values>> N :: 120.52(4.2) 1.G69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> R 0.37 L 0.29 G 0.12 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 173.134 CA :: 43.615 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.724 HA2 :: 3.484 HA3 :: 3.698 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 131.761(S) Ave N Shift Values>> N :: 109.67(3.87) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.032 CA :: 44.630 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.998 HA2 :: 3.534 HA3 :: 3.532 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.575 Ave N Shift Values>> N :: 109.67(3.87) 1.E71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.32 C 0.27 Q 0.15 M 0.12 K 0.1 I 0.01 HN Overlap>> 1.N39 1.N39 C Shift Assignments>> C :: 173.869 CA :: 56.322 CB :: 30.245 CG :: 35.486 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.074 HA :: 3.724 HB2 :: 1.196(S) HB3 :: 1.317 HG2 :: 1.714 HG3 :: 1.839 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.908 Ave N Shift Values>> N :: 120.67(3.48) 1.K72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.48 C 0.36 R 0.13 C Shift Assignments>> C :: 176.435 CA :: 54.856 CB :: 35.320 CG :: 25.286 CD :: 28.788 CE :: 42.007 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 :: 7.634 HA :: 4.761 HB2 :: 1.103 HB3 :: 1.103 HG2 :: 0.673 HG3 :: 1.140 HD2 :: 0.071(S) HD3 :: 0.824(S) HE2 :: 2.296 HE3 :: 2.511 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.663 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 F 0.39 C 0.09 C Shift Assignments>> C :: 175.782 CA :: 57.104 CB :: 44.683 CD1 :: 131.940 CD2 :: 131.940 CE1 :: 131.282 CE2 :: 131.282 CZ :: 129.181 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 :: 9.146 HA :: 4.849 HB2 :: 2.681 HB3 :: 3.294 HD1 :: 7.152 HD2 :: 7.152 HE1 :: 6.809 HE2 :: 6.809 HZ :: 5.705 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.599 Ave N Shift Values>> N :: 120.45(4.18) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.15 C 0.05 L 0.04 V 0.01 C Shift Assignments>> C :: 178.338 CA :: 54.477 CB :: 19.933 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.381 HA :: 4.575 HB1 :: 1.710 HB2 :: 1.710 HB3 :: 1.710 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.773 Ave N Shift Values>> N :: 123.23(3.54) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 T 0.24 A 0.01 C Shift Assignments>> C :: 173.614 CA :: 58.959 CB :: 73.569 CG2 :: 21.772 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.175 HA :: 4.717 HB :: 4.473 HG21 :: 1.278 HG22 :: 1.278 HG23 :: 1.278 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 129.353 Ave N Shift Values>> N :: 115.42(4.75) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.38 C Shift Assignments>> C :: 178.199 CA :: 57.125 CB :: 41.174 CG :: 26.809 CD1 :: 24.260 CD2 :: 25.031 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 :: 7.839 HA :: 3.421 HB2 :: 1.327 HB3 :: 0.702 HG :: 1.292 HD11 :: 0.600 HD12 :: 0.600 HD13 :: 0.600 HD21 :: 0.213 HD22 :: 0.213 HD23 :: 0.213 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.317 Ave N Shift Values>> N :: 121.86(3.9) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.31 I 0.05 C 0.02 C Shift Assignments>> C :: 179.732 CA :: 55.527 CB :: 18.040 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.433 HA :: 4.109 HB1 :: 1.524 HB2 :: 1.524 HB3 :: 1.524 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.782 Ave N Shift Values>> N :: 123.23(3.54) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 E 0.15 I 0.14 M 0.02 C Shift Assignments>> C :: 177.766 CA :: 59.424 CB :: 31.014 CG :: 38.186 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 :: 7.730 HA :: 3.842 HB2 :: 2.150 HB3 :: 2.253 HG2 :: 2.337 HG3 :: 2.337 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.799 Ave N Shift Values>> N :: 120.67(3.48) 1.L79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 R 0.19 L 0.18 K 0.05 C Shift Assignments>> C :: 177.264 CA :: 58.546 CB :: 41.763 CG :: 27.426 CD1 :: 28.020 CD2 :: 24.467 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 :: 6.919 HA :: 2.096(S) HB2 :: 1.320 HB3 :: 1.842 HG :: 1.614 HD11 :: 1.082 HD12 :: 1.082 HD13 :: 1.082 HD21 :: 0.738 HD22 :: 0.738 HD23 :: 0.738 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.635 Ave N Shift Values>> N :: 121.86(3.9) 1.V80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.150 CA :: 67.365 CB :: 31.599 CG1 :: 20.998 CG2 :: 22.542 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 :: 7.818 HA :: 2.898 HB :: 1.350 HG11 :: -0.087(S) HG12 :: -0.087(S) HG13 :: -0.087(S) HG21 :: 0.225 HG22 :: 0.225 HG23 :: 0.225 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.677 Ave N Shift Values>> N :: 121.14(4.54) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Q 0.42 E 0.04 C Shift Assignments>> C :: 177.813 CA :: 59.119 CB :: 28.089 CG :: 33.569 CD :: 179.957 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 :: 8.023 HA :: 3.788 HB2 :: 1.958 HB3 :: 2.121 HG2 :: 2.376 HG3 :: 2.394 HE21 :: 7.770 HE22 :: 6.811 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 :: 117.323 NE2 :: 111.778 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 179.821 CA :: 62.225 CB :: 39.090 CE1 :: 117.344 CE2 :: 117.344 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 :: 7.858 HA :: 4.170 HB2 :: 2.488 HB3 :: 2.809 HE1 :: 6.275 HE2 :: 6.275 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 :: 118.301 Ave N Shift Values>> N :: 120.52(4.2) 1.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 177.661 CA :: 62.788 CB :: 38.011 CD1 :: 133.155 CD2 :: 133.155 CE1 :: 118.049 CE2 :: 118.049 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 :: 7.777 HA :: 4.321 HB2 :: 2.468 HB3 :: 3.032 HD1 :: 7.326 HD2 :: 7.326 HE1 :: 6.895 HE2 :: 6.895 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 :: 117.683 Ave N Shift Values>> N :: 120.52(4.2) 1.M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.4 C Shift Assignments>> C :: 177.550 CA :: 59.275 CB :: 34.113 CG :: 32.013 CE :: 16.554 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.269 HA :: 4.277 HB2 :: 2.086 HB3 :: 2.157 HG2 :: 2.506 HG3 :: 2.307 HE1 :: 2.122 HE2 :: 2.122 HE3 :: 2.122 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.996 Ave N Shift Values>> N :: 120.09(3.57) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 M 0.11 K 0.03 Q 0.03 I 0.02 C Shift Assignments>> C :: 176.041 CA :: 56.836 CB :: 30.611 CG :: 36.526 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 :: 7.423 HA :: 4.117 HB2 :: 1.730 HB3 :: 1.752 HG2 :: 2.041 HG3 :: 2.325 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.931 Ave N Shift Values>> N :: 120.67(3.48) 1.H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.35 C 0.29 C Shift Assignments>> C :: 173.814 CA :: 54.916 CB :: 26.947 CD2 :: 120.337 CE1 :: 136.131 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.478 HA :: 4.530 HB2 :: 2.312 HB3 :: 2.872 HD2 :: 6.881 HE1 :: 8.374 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.338 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.34 W 0.33 C 0.31 HN Overlap>> 1.N39 1.N39 C Shift Assignments>> C :: 177.099 CA :: 57.286 CB :: 30.508 CD2 :: 118.923 CE1 :: 138.218 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.148 HA :: 4.641 HB2 :: 3.043 HB3 :: 3.144 HD2 :: 7.005 HE1 :: 7.896 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.793 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.530 CA :: 45.689 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.240 HA2 :: 3.649 HA3 :: 4.251 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.145 Ave N Shift Values>> N :: 109.67(3.87) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.45 C 0.37 E 0.16 C Shift Assignments>> C :: 175.117 CA :: 56.307 CB :: 29.593 CG :: 34.524 CD :: 179.687 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 :: 8.059 HA :: 4.455 HB2 :: 2.286 HB3 :: 2.757 HG2 :: 2.416 HG3 :: 2.462 HE21 :: 7.641 HE22 :: 7.030 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 :: 116.513 NE2 :: 113.302 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.17 G 0.03 C Shift Assignments>> C :: 174.242 CA :: 53.510 CB :: 42.586 CG :: 26.270 CD1 :: 24.525 CD2 :: 24.578 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.268 HA :: 4.562 HB2 :: 1.922 HB3 :: 1.329 HG :: 1.358 HD11 :: 0.363 HD12 :: 0.363 HD13 :: 0.363 HD21 :: 0.317 HD22 :: 0.317 HD23 :: 0.317 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 :: 121.336 Ave N Shift Values>> N :: 121.86(3.9) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.43 R 0.07 G 0.01 A 0.01 C Shift Assignments>> C :: 174.764 CA :: 54.653 CB :: 35.799 CG :: 24.312 CD :: 29.501 CE :: 42.201 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.697 HA :: 4.784 HB2 :: 1.513 HB3 :: 1.656 HG2 :: 1.171 HG3 :: 1.321 HD2 :: 1.603 HD3 :: 1.602 HE2 :: 2.973 HE3 :: 2.973 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 :: 124.838 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 E 0.21 M 0.11 I 0.01 C Shift Assignments>> C :: 178.352 CA :: 56.287 CB :: 31.600 CG :: 38.124 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.525 HA :: 4.524 HB2 :: 2.030 HB3 :: 2.237 HG2 :: 2.115 HG3 :: 2.270 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.338 Ave N Shift Values>> N :: 120.67(3.48) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.42 R 0.1 C Shift Assignments>> C :: 177.068 CA :: 59.294 CB :: 32.123 CG :: 25.286 CD :: 29.278 CE :: 42.172 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.668 HA :: 3.859 HB2 :: 1.771 HB3 :: 1.613 HG2 :: 1.316 HG3 :: 1.349 HD2 :: 1.645 HD3 :: 1.644 HE2 :: 2.982 HE3 :: 2.982 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 :: 124.166 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.21 D 0.07 C Shift Assignments>> C :: 175.794 CA :: 53.682 CB :: 37.487 CG :: 176.797 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.493 HA :: 4.494 HB2 :: 2.863 HB3 :: 3.076 HD21 :: 6.826 HD22 :: 7.394 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.036 ND2 :: 110.859 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.696 CA :: 45.090 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.016 HA2 :: 3.829 HA3 :: 4.099 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.467 Ave N Shift Values>> N :: 109.67(3.87) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.25 K 0.15 F 0.08 N 0.06 Y 0.05 C 0.05 R 0.04 C Shift Assignments>> C :: 175.673 CA :: 54.355 CB :: 41.637 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 :: 8.335 HA :: 4.634 HB2 :: 2.546 HB3 :: 2.653 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 :: 122.677 Ave N Shift Values>> N :: 120.65(3.86) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 176.249 CA :: 62.519 CB :: 33.261 CG1 :: 21.752 CG2 :: 21.713 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 :: 8.366 HA :: 4.297 HB :: 1.993 HG11 :: 0.887 HG12 :: 0.887 HG13 :: 0.887 HG21 :: 1.012 HG22 :: 1.012 HG23 :: 1.012 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.241 Ave N Shift Values>> N :: 121.14(4.54) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 173.841 CA :: 60.306 CB :: 38.884 CG1 :: 27.254 CG2 :: 17.954 CD1 :: 13.569 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 :: 8.383 HA :: 4.056 HB :: 1.482 HG12 :: 1.399 HG13 :: 0.706 HG21 :: 0.550 HG22 :: 0.550 HG23 :: 0.550 HD11 :: 0.574 HD12 :: 0.574 HD13 :: 0.574 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 :: 127.279 Ave N Shift Values>> N :: 121.46(4.28) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 M 0.3 E 0.25 Q 0.01 C Shift Assignments>> C :: 175.199 CA :: 54.749 CB :: 32.234 CG :: 36.463 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.141 HA :: 4.559 HB2 :: 1.715 HB3 :: 1.761 HG2 :: 1.978 HG3 :: 2.135 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 :: 124.260 Ave N Shift Values>> N :: 120.67(3.48) 1.L100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.64 C 0.28 A 0.06 C Shift Assignments>> C :: 174.608 CA :: 53.227 CB :: 39.509 CG :: 26.418 CD1 :: 23.625 CD2 :: 25.646 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.788 HA :: 4.026 HB2 :: 1.198 HB3 :: 0.024(S) HG :: 0.987 HD11 :: 0.048 HD12 :: 0.048 HD13 :: 0.048 HD21 :: 0.198 HD22 :: 0.198 HD23 :: 0.198 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.503 Ave N Shift Values>> N :: 121.86(3.9) 1.K101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 K 0.42 R 0.1 C Shift Assignments>> C :: 176.444 CA :: 58.540 CB :: 34.633 CG :: 25.376 CD :: 29.325 CE :: 41.815 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.042 HA :: 4.288 HB2 :: 0.972 HB3 :: 0.722(S) HG2 :: 1.017 HG3 :: 0.790 HD2 :: 1.444 HD3 :: 1.521 HE2 :: 2.747 HE3 :: 2.788 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.455 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> CA :: 52.677 CB :: 40.591 CD1 :: 134.193 CD2 :: 134.193 CE1 :: 118.220 CE2 :: 118.220 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 :: 7.843 HA :: 5.440 HB2 :: 2.782 HB3 :: 3.120 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 6.909 HE2 :: 6.909 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 :: 116.535 Ave N Shift Values>> N :: 120.52(4.2) 1.P103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.332 CA :: 62.693 CB :: 32.059 CG :: 27.355 CD :: 50.650 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.120(S) HB2 :: 1.847 HB3 :: 2.010 HG2 :: 2.074 HG3 :: 2.286 HD2 :: 3.746 HD3 :: 4.089 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.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.34 R 0.19 K 0.01 C Shift Assignments>> C :: 175.615 CA :: 54.394 CB :: 41.742 CG :: 28.272 CD1 :: 25.393 CD2 :: 26.454 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.745 HA :: 4.602 HB2 :: 1.847 HB3 :: 1.232 HG :: 1.568 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 HD21 :: 0.747 HD22 :: 0.747 HD23 :: 0.747 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 :: 128.690 Ave N Shift Values>> N :: 121.86(3.9) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.2 D 0.08 C Shift Assignments>> C :: 175.614 CA :: 53.415 CB :: 39.149 CG :: 175.021 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.549 HA :: 4.685 HB2 :: 2.629 HB3 :: 2.684 HD21 :: 6.695 HD22 :: 7.443 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.831 ND2 :: 110.609 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 R 0.18 I 0.18 W 0.09 Q 0.08 L 0.08 H 0.05 E 0.05 K 0.04 C Shift Assignments>> C :: 173.379 CA :: 59.050 CB :: 27.125 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.634 HA :: 3.876 HB2 :: 2.043 HB3 :: 2.289 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 :: 121.897 Ave N Shift Values>> N :: 120.17(4.64) 1.A107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> A 0.77 M 0.09 L 0.06 C 0.05 V 0.01 C Shift Assignments>> CA :: 53.995 CB :: 20.221 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.066 HA :: 4.073 HB1 :: 1.316 HB2 :: 1.316 HB3 :: 1.316 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 105.842(S) Ave N Shift Values>> N :: 123.23(3.54) 2.F1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.202 HA :: 4.659 HB2 :: 3.160 HB3 :: 3.029 HD1 :: 7.271 HD2 :: 7.271 HE1 :: 7.348 HE2 :: 7.348 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) 2.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.220 HA :: 4.528 HB2 :: 3.815 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 2.V3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.962 HA :: 4.189 HB :: 1.828 HG11 :: 0.093 HG12 :: 0.093 HG13 :: 0.093 HG21 :: 0.420 HG22 :: 0.420 HG23 :: 0.420 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) 2.D4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.513 HB2 :: 2.722 HB3 :: 2.594 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) 2.PTR5 Overall Status: Residue type PTR not supported. 2.G6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.110 HA2 :: 3.367 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.E7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.808 HA :: 4.336 HB2 :: 1.964 HB3 :: 2.010 HG2 :: 2.231 HG3 :: 2.357 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) 2.L8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.621 HB2 :: 1.560 HB3 :: 1.637 HD11 :: 0.528 HD12 :: 0.528 HD13 :: 0.528 HD21 :: 1.002 HD22 :: 1.002 HD23 :: 1.002 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) 2.D9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.323 HA :: 4.652 HB2 :: 2.483 HB3 :: 2.154 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) 2.F10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.552 HA :: 3.444 HB2 :: 2.876 HD1 :: 7.391 HD2 :: 7.391 HE1 :: 7.227 HE2 :: 7.227 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) 2.Q11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.520 HA :: 4.372 HB2 :: 2.219 HG2 :: 2.446 HE21 :: 6.920 HE22 :: 7.778 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) ########################################################################### Overall Results: #Consistent: 100 #Clerical: 0 #Suspicious: 14 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 107 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 117 #Suspicious: 0 C Shift Results: #Consistent: 483 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 796 #Duplicate: 0 #Unknown: 0 #Suspicious: 16 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 4 Error Summary: 1.S30 HA = 6.221(S), Expected = 4.48, Std = 0.4000, ChiSquare = 1.3459e-05 1.A33 HA = 6.155(S), Expected = 4.26, Std = 0.4400, ChiSquare = 1.6562e-05 1.R34 NE = 106.091(A), Expected = 84.63, Std = 1.6800, ChiSquare = 2.2788e-37 1.T44 CG2 = 25.590(S), Expected = 21.55, Std = 1.1100, ChiSquare = 2.7302e-04 1.R48 NE = 107.384(A), Expected = 84.63, Std = 1.6800, ChiSquare = 8.5921e-42 1.R49 NE = 107.946(A), Expected = 84.63, Std = 1.6800, ChiSquare = 8.5430e-44 1.R49 NH1 = 119.079(A), Expected = 73.82, Std = 4.6200, ChiSquare = 1.1676e-22 1.K57 HE2 = 2.268(S), Expected = 2.92, Std = 0.1900, ChiSquare = 6.0008e-04 1.K57 HE3 = 2.152(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.5065e-04 1.Q59 HB3 = -0.247(S), Expected = 2.02, Std = 0.2800, ChiSquare = 5.6596e-16 1.Q59 HE22 = 8.983(S), Expected = 7.02, Std = 0.4400, ChiSquare = 8.1440e-06 1.G69 N = 131.761(S), Expected = 109.67, Std = 3.8700, ChiSquare = 1.1413e-08 1.E71 HB2 = 1.196(S), Expected = 2.02, Std = 0.2100, ChiSquare = 8.7160e-05 1.K72 HD2 = 0.071(S), Expected = 1.61, Std = 0.2200, ChiSquare = 2.6440e-12 1.K72 HD3 = 0.824(S), Expected = 1.60, Std = 0.2200, ChiSquare = 4.1986e-04 1.L79 HA = 2.096(S), Expected = 4.32, Std = 0.4700, ChiSquare = 2.2241e-06 1.V80 HG11 = -0.087(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.2042e-04 1.V80 HG12 = -0.087(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.2042e-04 1.V80 HG13 = -0.087(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.2042e-04 1.L100 HB3 = 0.024(S), Expected = 1.52, Std = 0.3600, ChiSquare = 3.2450e-05 1.K101 HB3 = 0.722(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.6301e-04 1.P103 HA = 3.120(S), Expected = 4.40, Std = 0.3300, ChiSquare = 1.0498e-04 1.A107 N = 105.842(S), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0214e-07