Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.K1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 178.398 CA :: 60.245 CB :: 71.440 CG2 :: 22.196 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.682 HB :: 3.958 HG21 :: 1.008 HG22 :: 1.008 HG23 :: 1.008 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.16 C 0.04 D 0.01 C Shift Assignments>> C :: 179.821 CA :: 54.640 CB :: 45.773 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.650 HA :: 4.751 HB2 :: 2.787 HB3 :: 3.300 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 :: 123.176 Ave N Shift Values>> N :: 120.17(4.64) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 63.200 CB :: 32.402 CG :: 27.561 CD :: 51.190 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 :: 4.451 HB2 :: 1.970 HB3 :: 2.307 HG3 :: 2.157 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.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.550 CB :: 69.734 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.466 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 :: 117.124 Ave N Shift Values>> N :: 115.42(4.75) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.26 V 0.22 P 0.17 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 177.071 CB :: 64.801 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.534 HB2 :: 3.569 HB3 :: 3.959 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 :: 117.237 Ave N Shift Values>> N :: 116.28(3.52) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 62.786 CB :: 68.797 CG2 :: 21.684 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.365 HB :: 4.455 HG21 :: 1.253 HG22 :: 1.253 HG23 :: 1.253 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 C 0.38 K 0.06 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.515 CA :: 56.639 CB :: 30.006 CG :: 36.623 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 :: 8.435 HA :: 4.347 HB2 :: 1.784 HB3 :: 2.203 HG2 :: 2.198 HG3 :: 2.224 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 :: 119.883 Ave N Shift Values>> N :: 120.67(3.48) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 178.158 CA :: 59.876 CB :: 39.167 CG1 :: 24.947 CG2 :: 16.791 CD1 :: 13.513 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 :: 6.882 HA :: 4.469 HB :: 1.931 HG12 :: 1.089 HG13 :: 1.306 HG21 :: 0.741 HG22 :: 0.741 HG23 :: 0.741 HD11 :: 0.549 HD12 :: 0.549 HD13 :: 0.549 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 :: 114.345 Ave N Shift Values>> N :: 121.46(4.28) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.26 R 0.13 K 0.1 F 0.04 C 0.04 N 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 175.531 CA :: 53.309 CB :: 42.490 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 :: 8.375 HA :: 4.790 HB2 :: 2.563 HB3 :: 2.814 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 :: 121.378 Ave N Shift Values>> N :: 120.65(3.86) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I117 1.I117 C Shift Assignments>> C :: 176.657 CA :: 59.148 CB :: 63.749 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.865 HA :: 4.787 HB2 :: 3.764 HB3 :: 3.966 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 :: 115.656 Ave N Shift Values>> N :: 116.28(3.52) 1.C15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.19 L 0.16 F 0.12 Y 0.1 C 0.07 K 0.02 C Shift Assignments>> CA :: 54.468 CB :: 40.262 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.418 HA :: 4.618 HB2 :: 2.607 HB3 :: 3.286 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.542 Ave N Shift Values>> N :: 120.17(4.64) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 178.127 CA :: 61.626 CB :: 63.226 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.131 HB2 :: 3.978 HB3 :: 3.949 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) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.32 L 0.11 F 0.06 C 0.06 Y 0.05 C Shift Assignments>> C :: 177.258 CA :: 52.775 CB :: 40.104 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 :: 7.964 HA :: 4.656 HB2 :: 3.051 HB3 :: 2.914 HD21 :: 6.778 HD22 :: 7.270 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 :: 113.560 ND2 :: 114.610 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.21 D 0.2 Y 0.18 L 0.15 C 0.09 N 0.06 K 0.04 I 0.02 C Shift Assignments>> C :: 176.531 CA :: 56.162 CB :: 40.305 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> HA :: 4.504 HB2 :: 2.662 HB3 :: 2.537 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.11 D 0.1 Y 0.05 F 0.05 L 0.02 E 0.01 C Shift Assignments>> C :: 177.366 CA :: 52.636 CB :: 38.098 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 :: 8.833 HA :: 5.017 HB2 :: 2.820 HB3 :: 3.353 HD21 :: 6.671 HD22 :: 7.641 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 :: 117.099 ND2 :: 113.344 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.26 K 0.12 N 0.07 F 0.05 R 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 177.406 CA :: 53.373 CB :: 41.895 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 :: 7.256 HA :: 5.529 HB2 :: 2.677 HB3 :: 2.716 HD21 :: 6.783 HD22 :: 6.784 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 :: 116.700 ND2 :: 106.810 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 L 0.01 C Shift Assignments>> C :: 177.114 CA :: 51.200 CB :: 20.031 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.403 HA :: 5.122 HB1 :: 1.466 HB2 :: 1.466 HB3 :: 1.466 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.957 Ave N Shift Values>> N :: 123.23(3.54) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.29 D 0.11 G 0.07 F 0.05 C 0.04 K 0.04 Y 0.03 C Shift Assignments>> CA :: 55.019 CB :: 43.506 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.753 HA :: 5.542 HB2 :: 3.214 HB3 :: 3.866 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 :: 121.755 Ave N Shift Values>> N :: 120.17(4.64) 1.G23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 HN Overlap>> 1.I107 1.I107 C Shift Assignments>> C :: 182.005(S) CA :: 46.278 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.736 HA2 :: 3.957 HA3 :: 5.324(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.831 Ave N Shift Values>> N :: 109.67(3.87) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 K 0.11 A 0.04 HN Overlap>> 1.V53 1.V53 C Shift Assignments>> C :: 178.613 CA :: 54.514 CB :: 36.588 CG :: 23.857 CD :: 30.559 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 :: 8.946 HA :: 4.469 HB2 :: 1.202 HB3 :: 1.465 HG2 :: 0.829 HG3 :: 1.186 HD3 :: 1.581 HE2 :: 2.836 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 :: 119.449 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.25 D 0.15 K 0.08 F 0.05 C 0.04 G 0.03 Y 0.03 N 0.01 C Shift Assignments>> C :: 176.574 CA :: 54.654 CB :: 43.061 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 :: 7.704 HA :: 4.735 HB2 :: 2.482 HB3 :: 2.666 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 :: 122.725 Ave N Shift Values>> N :: 120.65(3.86) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 176.647 CA :: 62.171 CB :: 32.592 CG1 :: 21.004 CG2 :: 21.155 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 :: 9.192 HA :: 4.156 HB :: 2.073 HG11 :: 0.897 HG12 :: 0.897 HG13 :: 0.897 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.385 Ave N Shift Values>> N :: 121.14(4.54) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 177.697 CA :: 58.471 CB :: 62.190 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.024 HB2 :: 3.822 HB3 :: 4.155 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) 1.G28 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 :: 177.825 CA :: 45.651 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.652 HA2 :: 3.784 HA3 :: 4.357 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.759 Ave N Shift Values>> N :: 109.67(3.87) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.837 CB :: 65.379 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.654 HA :: 4.759 HB2 :: 3.718 HB3 :: 3.820 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 :: 115.698 Ave N Shift Values>> N :: 116.28(3.52) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.31 L 0.31 D 0.09 G 0.06 F 0.06 C 0.05 K 0.04 Y 0.03 C Shift Assignments>> C :: 178.179 CA :: 55.604 CB :: 43.476 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 4.856 HB2 :: 2.873 HB3 :: 3.189 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.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.26 V 0.22 P 0.17 T 0.17 I 0.12 C 0.02 C Shift Assignments>> C :: 178.136 CB :: 64.832 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.304 HB2 :: 3.790 HB3 :: 3.642 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 :: 124.098 Ave N Shift Values>> N :: 116.28(3.52) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.604 CA :: 60.418 CB :: 63.760 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.662 HA :: 4.632 HB2 :: 3.817 HB3 :: 3.820 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 :: 124.192 Ave N Shift Values>> N :: 116.28(3.52) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.31 G 0.11 R 0.06 A 0.06 HN Overlap>> 1.Y66 1.Y66 C Shift Assignments>> C :: 175.779 CA :: 55.604 CB :: 43.520 CG :: 27.152 CD1 :: 22.230 CD2 :: 24.960 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 :: 9.093 HA :: 4.484 HB2 :: 1.628 HB3 :: 1.649 HG :: 1.592 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.653 Ave N Shift Values>> N :: 121.86(3.9) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.22 K 0.18 F 0.08 R 0.08 Y 0.05 C 0.04 N 0.03 HN Overlap>> 1.C100 1.C100 C Shift Assignments>> C :: 180.894 CA :: 54.922 CB :: 41.964 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.843 HA :: 4.797 HB2 :: 3.019 HB3 :: 3.314 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 :: 111.980 Ave N Shift Values>> N :: 120.17(4.64) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.26 L 0.07 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.885 CA :: 52.232 CB :: 39.704 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 :: 8.819 HA :: 5.196 HB2 :: 2.552 HB3 :: 2.814 HD21 :: 7.381 HD22 :: 7.056 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 :: 116.659 ND2 :: 114.408 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 F 0.19 N 0.18 C 0.15 D 0.12 L 0.05 I 0.03 E 0.02 C Shift Assignments>> C :: 176.782 CA :: 55.705 CB :: 38.710 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.740 HA :: 4.230 HB2 :: 2.865 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 :: 127.822 Ave N Shift Values>> N :: 120.17(4.64) 1.G37 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 :: 177.676 CA :: 45.782 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.231 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.054 Ave N Shift Values>> N :: 109.67(3.87) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.48 C 0.16 Y 0.1 F 0.08 D 0.07 E 0.06 L 0.01 C Shift Assignments>> C :: 176.787 CA :: 53.816 CB :: 37.667 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>> HA :: 4.456 HB2 :: 2.817 HB3 :: 3.029 HD22 :: 7.657 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) 1.G39 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 :: 177.615 CA :: 45.994 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.471 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.316 Ave N Shift Values>> N :: 109.67(3.87) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 C 0.3 K 0.17 E 0.16 C Shift Assignments>> C :: 176.920 CA :: 56.021 CB :: 30.422 CG :: 34.248 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.417 HA :: 4.231 HB2 :: 1.984 HB3 :: 2.082 HG2 :: 2.478 HG3 :: 2.478 HE21 :: 7.244 HE22 :: 7.540 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 :: 119.901 NE2 :: 112.448 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 181.657(S) CA :: 62.588 CB :: 70.333 CG2 :: 21.679 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 :: 8.197 HA :: 3.796 HB :: 3.251 HG21 :: 0.502 HG22 :: 0.502 HG23 :: 0.502 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 :: 120.453 Ave N Shift Values>> N :: 115.42(4.75) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.17 L 0.16 F 0.13 Y 0.11 C 0.07 K 0.02 C Shift Assignments>> C :: 179.317 CA :: 54.687 CB :: 40.239 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.295 HA :: 4.839 HB2 :: 3.030 HB3 :: 2.950 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 :: 124.817 Ave N Shift Values>> N :: 120.17(4.64) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.38 C 0.17 C Shift Assignments>> C :: 178.136 CA :: 58.290 CB :: 41.347 CD1 :: 131.599 CE1 :: 131.566 CZ :: 130.705 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 :: 8.878 HA :: 4.455 HB2 :: 2.296 HB3 :: 3.033 HD1 :: 6.992 HD2 :: 7.255 HE1 :: 6.992 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 :: 128.828 Ave N Shift Values>> N :: 120.45(4.18) 1.T44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.64 C 0.33 S 0.01 C Shift Assignments>> C :: 177.526 CA :: 58.664 CB :: 68.324 CG2 :: 22.003 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 :: 7.434 HA :: 4.138 HB :: 3.743 HG21 :: 0.108(S) HG22 :: 0.108(S) HG23 :: 0.108(S) 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 :: 103.084 Ave N Shift Values>> N :: 115.42(4.75) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.26 K 0.1 N 0.08 R 0.06 F 0.04 C 0.04 Y 0.03 C Shift Assignments>> C :: 174.031 CA :: 52.804 CB :: 42.022 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 :: 7.207 HA :: 4.655 HB2 :: 2.706 HB3 :: 3.108 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 :: 117.531 Ave N Shift Values>> N :: 120.65(3.86) 1.S46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 C 0.19 Y 0.16 F 0.12 E 0.1 D 0.06 L 0.02 I 0.02 HN Overlap>> 1.D76 1.D76 C Shift Assignments>> C :: 179.049 CA :: 55.094 CB :: 37.713 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 :: 8.136 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 :: 118.502 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 H 0.49 C Shift Assignments>> C :: 179.472 CB :: 29.435 CD2 :: 120.466 CE1 :: 137.391 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 :: 7.651 HB2 :: 2.705 HD2 :: 7.143 HE1 :: 7.871 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 :: 113.336 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 177.839 CA :: 62.614 CB :: 70.838 CG2 :: 21.033 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 :: 7.312 HA :: 5.499 HB :: 4.104 HG21 :: 1.162 HG22 :: 1.162 HG23 :: 1.162 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.314 Ave N Shift Values>> N :: 115.42(4.75) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 C Shift Assignments>> C :: 178.753 CA :: 59.848 CB :: 41.827 CG1 :: 26.060 CG2 :: 17.845 CD1 :: 13.572 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 :: 9.349 HA :: 4.929 HB :: 1.922 HG12 :: 0.841 HG13 :: 1.295 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 HD11 :: 0.329 HD12 :: 0.329 HD13 :: 0.329 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 :: 121.321 Ave N Shift Values>> N :: 121.46(4.28) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 179.511 CA :: 62.128 CB :: 70.209 CG2 :: 21.697 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 :: 8.640 HA :: 5.001 HB :: 3.991 HG21 :: 1.053 HG22 :: 1.053 HG23 :: 1.053 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 :: 117.567 Ave N Shift Values>> N :: 115.42(4.75) 1.L52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.3 G 0.21 A 0.03 C Shift Assignments>> C :: 176.174 CA :: 55.694 CB :: 44.080 CG :: 30.983(S) CD1 :: 22.805 CD2 :: 25.503 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 :: 9.445 HA :: 4.715 HB2 :: 1.462 HB3 :: 1.705 HG :: 0.715 HD11 :: 0.331 HD12 :: 0.331 HD13 :: 0.331 HD21 :: 0.000 HD22 :: 0.000 HD23 :: 0.000 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.203 Ave N Shift Values>> N :: 121.86(3.9) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.34 K 0.06 HN Overlap>> 1.K24 1.K24 C Shift Assignments>> C :: 177.681 CA :: 58.806 CB :: 32.613 CG1 :: 22.237 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 :: 8.967 HA :: 5.538 HB :: 2.539 HG11 :: 0.806 HG12 :: 0.806 HG13 :: 0.806 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 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 :: 119.453 Ave N Shift Values>> N :: 121.14(4.54) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.032 CA :: 63.734 CB :: 32.612 CG :: 27.157 CD :: 50.256 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 :: 4.610 HB2 :: 1.873 HB3 :: 2.609 HG2 :: 1.576 HG3 :: 2.131 HD2 :: 3.616 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.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.39 C Shift Assignments>> C :: 179.721 CA :: 55.833 CB :: 38.088 CD1 :: 133.768 CE1 :: 117.596 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 :: 7.158 HA :: 4.828 HB2 :: 3.205 HB3 :: 3.634 HD1 :: 6.760 HD2 :: 6.764 HE1 :: 6.301 HE2 :: 6.303 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 :: 109.549 Ave N Shift Values>> N :: 120.52(4.2) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 175.565 CA :: 57.217 CB :: 40.702 CD1 :: 131.763 CE1 :: 118.409 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 :: 9.044 HA :: 4.966 HB2 :: 3.031 HB3 :: 3.033 HD1 :: 7.085 HD2 :: 7.086 HE1 :: 6.745 HE2 :: 6.746 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 :: 119.063 Ave N Shift Values>> N :: 120.52(4.2) 1.T57 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 :: 175.571 CA :: 60.414 CB :: 71.854 CG2 :: 21.690 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 :: 8.720 HA :: 4.962 HB :: 4.771 HG21 :: 1.431 HG22 :: 1.431 HG23 :: 1.431 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 :: 111.968 Ave N Shift Values>> N :: 115.42(4.75) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.37 E 0.34 I 0.19 K 0.06 Q 0.02 C Shift Assignments>> CA :: 59.343 CB :: 29.288 CG :: 36.420 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 4.215 HB2 :: 2.115 HB3 :: 2.378 HG2 :: 2.100 HG3 :: 2.371 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) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.21 K 0.15 R 0.14 F 0.06 C 0.04 Y 0.04 N 0.02 C Shift Assignments>> C :: 176.890 CA :: 54.595 CB :: 42.400 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 :: 8.089 HA :: 4.816 HB2 :: 2.367 HB3 :: 2.840 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 :: 116.133 Ave N Shift Values>> N :: 120.65(3.86) 1.G60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.28 R 0.22 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 181.432(S) CA :: 44.153 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.677 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.797 Ave N Shift Values>> N :: 109.67(3.87) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.741 CA :: 63.216 CB :: 32.574 CG :: 27.087 CD :: 49.601 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 :: 3.373 HB2 :: 1.583 HB3 :: 1.682 HG3 :: 2.006 HD2 :: 3.391 HD3 :: 3.739 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.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 F 0.01 C Shift Assignments>> C :: 179.787 CB :: 39.216 CZ :: 133.369 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 :: 8.221 HB2 :: 2.566 HB3 :: 2.706 HD1 :: 6.913 HE1 :: 6.912 HZ :: 7.308 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 :: 126.998 Ave N Shift Values>> N :: 120.45(4.18) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 E 0.37 C Shift Assignments>> C :: 175.751 CA :: 55.647 CB :: 32.128 CG :: 36.985 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.499 HA :: 4.501 HB2 :: 1.585 HG2 :: 1.807 HG3 :: 2.084 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 :: 122.704 Ave N Shift Values>> N :: 120.67(3.48) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.4 R 0.04 A 0.01 C Shift Assignments>> C :: 176.971 CA :: 54.668 CB :: 34.780 CG :: 23.868 CD :: 28.733 CE :: 41.917 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.347 HA :: 4.540 HB2 :: 1.932 HB3 :: 1.965 HG2 :: 1.307 HG3 :: 1.457 HD2 :: 1.795 HD3 :: 1.913 HE2 :: 3.250 HE3 :: 3.439 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.714 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 R 0.17 G 0.01 C Shift Assignments>> C :: 176.392 CA :: 56.662 CB :: 33.708 CG :: 25.493 CD :: 33.710(S) CE :: 42.097 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 :: 8.677 HA :: 5.083 HB2 :: 1.255 HB3 :: 1.604 HG2 :: 1.284 HG3 :: 1.429 HD2 :: 1.260 HD3 :: 1.606 HE2 :: 2.881 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.696 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.25 G 0.03 HN Overlap>> 1.L33 1.L33 C Shift Assignments>> C :: 180.399 CA :: 57.106 CB :: 42.457 CD1 :: 132.717 CE1 :: 118.155 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 :: 9.053 HA :: 4.341 HB2 :: 2.519 HB3 :: 2.705 HD1 :: 6.924 HD2 :: 6.928 HE1 :: 6.531 HE2 :: 6.533 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.645 Ave N Shift Values>> N :: 120.52(4.2) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.29 C Shift Assignments>> C :: 175.256 CA :: 55.066 CB :: 41.335 CE1 :: 118.173 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 :: 8.405 HA :: 6.374 HB2 :: 2.172 HB3 :: 3.776 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.902 Ave N Shift Values>> N :: 120.52(4.2) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 176.480 CA :: 60.488 CB :: 70.723 CG2 :: 21.690 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 :: 9.480 HA :: 5.290 HB :: 4.414 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.591 Ave N Shift Values>> N :: 115.42(4.75) 1.C69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.3 I 0.15 C 0.15 L 0.03 D 0.03 C Shift Assignments>> C :: 176.382 CA :: 58.822 CB :: 39.719 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.577 HA :: 4.536 HB2 :: 3.161 HB3 :: 3.324 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.562 Ave N Shift Values>> N :: 120.17(4.64) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.27 D 0.06 F 0.05 K 0.05 G 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 179.782 CA :: 43.159 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.533 HA2 :: 3.637 HA3 :: 4.654 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.136 Ave N Shift Values>> N :: 109.67(3.87) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.25 L 0.16 C 0.07 K 0.03 F 0.03 Y 0.01 G 0.01 R 0.01 HN Overlap>> 1.K106 1.K106 C Shift Assignments>> C :: 176.170 CA :: 50.199 CB :: 41.427 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 :: 8.413 HA :: 4.848 HB2 :: 2.130 HB3 :: 2.852 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 :: 122.290 Ave N Shift Values>> N :: 120.65(3.86) 1.P72 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>> C :: 175.565 CA :: 64.336 CB :: 32.559 CG :: 27.173 CD :: 50.652 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 :: 4.287 HB2 :: 2.235 HB3 :: 2.321 HG2 :: 1.916 HG3 :: 1.981 HD2 :: 4.065 HD3 :: 4.181 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.S73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.456 CA :: 59.999 CB :: 62.605 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.534 HA :: 2.775(S) HB2 :: 3.431 HB3 :: 3.532 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 :: 113.840 Ave N Shift Values>> N :: 116.28(3.52) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.41 I 0.07 K 0.04 Q 0.01 C Shift Assignments>> C :: 174.871 CA :: 57.090 CB :: 29.847 CG :: 36.974 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 :: 7.446 HA :: 4.128 HB2 :: 1.834 HB3 :: 2.174 HG2 :: 2.163 HG3 :: 2.284 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 :: 119.435 Ave N Shift Values>> N :: 120.67(3.48) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.18 A 0.12 G 0.09 R 0.08 C Shift Assignments>> C :: 176.255 CA :: 53.935 CB :: 43.363 CG :: 27.147 CD1 :: 25.606 CD2 :: 22.231 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 :: 7.442 HA :: 4.341 HB2 :: 1.468 HB3 :: 1.930 HG :: 1.537 HD11 :: 0.612 HD12 :: 0.612 HD13 :: 0.612 HD21 :: 0.776 HD22 :: 0.776 HD23 :: 0.776 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 :: 120.423 Ave N Shift Values>> N :: 121.86(3.9) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.2 F 0.11 N 0.11 Y 0.09 K 0.08 C 0.06 HN Overlap>> 1.N47 1.N47 C Shift Assignments>> C :: 175.732 CA :: 54.713 CB :: 40.858 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 :: 8.172 HA :: 4.500 HB2 :: 2.604 HB3 :: 2.682 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.494 Ave N Shift Values>> N :: 120.65(3.86) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 C 0.44 I 0.04 K 0.03 Q 0.01 C Shift Assignments>> C :: 174.562 CA :: 56.774 CB :: 30.413 CG :: 36.984 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 :: 8.705 HA :: 4.704 HB2 :: 1.936 HB3 :: 2.117 HG2 :: 2.363 HG3 :: 2.494 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 :: 122.774 Ave N Shift Values>> N :: 120.67(3.48) 1.C78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.21 K 0.19 F 0.08 R 0.08 Y 0.06 C 0.05 N 0.02 C Shift Assignments>> C :: 178.600 CA :: 55.097 CB :: 41.986 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.865 HA :: 4.519 HB2 :: 2.616 HB3 :: 3.269 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 :: 124.135 Ave N Shift Values>> N :: 120.17(4.64) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 176.047 CA :: 57.105 CB :: 39.715 CD1 :: 133.830 CE1 :: 118.271 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 :: 8.939 HA :: 4.619 HB2 :: 2.900 HB3 :: 3.099 HD1 :: 7.239 HD2 :: 7.240 HE2 :: 6.897 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 :: 125.573 Ave N Shift Values>> N :: 120.52(4.2) 1.D80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.21 D 0.2 K 0.17 F 0.14 Y 0.11 C 0.06 N 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 176.748 CA :: 55.982 CB :: 41.308 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 :: 8.297 HA :: 4.022 HB2 :: 1.786(S) HB3 :: 2.543 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 :: 125.102 Ave N Shift Values>> N :: 120.65(3.86) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 177.413 CA :: 60.465 CB :: 37.684 CG1 :: 26.070 CG2 :: 18.377 CD1 :: 14.051 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 :: 7.639 HA :: 4.540 HB :: 2.163 HG12 :: 1.053 HG13 :: 1.410 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 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 :: 115.241 Ave N Shift Values>> N :: 121.46(4.28) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.2 N 0.11 F 0.11 Y 0.08 K 0.08 C 0.06 C Shift Assignments>> C :: 175.917 CA :: 54.552 CB :: 40.894 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 :: 8.094 HA :: 4.364 HB2 :: 2.537 HB3 :: 2.882 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 :: 122.263 Ave N Shift Values>> N :: 120.65(3.86) 1.K83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 K 0.39 R 0.13 G 0.01 C Shift Assignments>> C :: 175.200 CA :: 58.311 CB :: 31.550 CG :: 24.981 CD :: 29.861 CE :: 42.357 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 :: 8.040 HA :: 4.149 HB2 :: 0.651(S) HB3 :: 1.335 HG2 :: 1.132 HG3 :: 1.496 HD2 :: 1.359 HD3 :: 1.497 HE2 :: 2.806 HE3 :: 2.807 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.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 K 0.14 C 0.12 A 0.06 C Shift Assignments>> C :: 176.305 CA :: 53.852 CB :: 23.305 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.246 HA :: 4.968 HB1 :: 1.670 HB2 :: 1.670 HB3 :: 1.670 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.806 Ave N Shift Values>> N :: 123.23(3.54) 1.L85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.79 G 0.15 L 0.04 C Shift Assignments>> C :: 175.987 CA :: 52.744 CB :: 48.319 CD1 :: 25.736 CD2 :: 26.066 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 :: 7.210 HA :: 5.142 HB2 :: 0.986 HB3 :: 1.457 HD21 :: -0.271(S) HD22 :: -0.271(S) HD23 :: -0.271(S) 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 :: 112.377 Ave N Shift Values>> N :: 121.86(3.9) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.24 Q 0.23 K 0.01 C Shift Assignments>> C :: 175.779 CA :: 55.070 CB :: 31.960 CG :: 34.829 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.089 HA :: 5.153 HB2 :: 1.826 HG2 :: 2.056 HG3 :: 2.308 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 :: 122.296 Ave N Shift Values>> N :: 120.67(3.48) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 I 0.04 A 0.03 V 0.01 C Shift Assignments>> C :: 176.549 CA :: 58.362 CB :: 36.417 CG1 :: 18.408 CG2 :: 23.243 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 :: 5.758 HB :: 2.366 HG11 :: 1.096 HG12 :: 1.096 HG13 :: 1.096 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.018 Ave N Shift Values>> N :: 121.14(4.54) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 Y 0.19 F 0.17 C 0.15 D 0.13 L 0.05 E 0.02 I 0.02 C Shift Assignments>> C :: 177.905 CA :: 55.383 CB :: 38.575 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 :: 8.362 HA :: 4.739 HB2 :: 2.767 HB3 :: 3.054 HD21 :: 7.754 HD22 :: 7.843 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 :: 116.692 ND2 :: 118.258 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.4 Q 0.11 K 0.02 C Shift Assignments>> C :: 178.526 CA :: 55.251 CB :: 31.560 CG :: 35.655 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 :: 7.386 HA :: 4.521 HB2 :: 2.273 HB3 :: 1.928 HG2 :: 1.653 HG3 :: 2.102 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 :: 115.273 Ave N Shift Values>> N :: 120.67(3.48) 1.S90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.883 CA :: 61.577 CB :: 61.688 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.030 HA :: 3.459 HB2 :: 3.457 HB3 :: 4.764(S) 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 :: 112.882 Ave N Shift Values>> N :: 116.28(3.52) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.12 L 0.1 D 0.08 I 0.07 K 0.04 N 0.01 C Shift Assignments>> C :: 175.927 CA :: 57.774 CB :: 40.365 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 :: 7.767 HA :: 4.368 HB2 :: 2.547 HB3 :: 2.645 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 :: 121.138 Ave N Shift Values>> N :: 120.65(3.86) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.32 L 0.14 C 0.05 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 179.981 CA :: 51.957 CB :: 40.660 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 :: 8.548 HA :: 4.875 HB2 :: 2.656 HB3 :: 2.341 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 :: 117.354 Ave N Shift Values>> N :: 120.65(3.86) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 174.180 CA :: 63.775 CB :: 33.166 CG :: 27.155 CD :: 50.114 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 :: 4.353 HB2 :: 1.843 HB3 :: 2.610 HG3 :: 1.711 HD2 :: 3.303 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.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.27 L 0.08 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 178.255 CA :: 52.693 CB :: 39.701 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 :: 8.726 HA :: 5.031 HB2 :: 2.826 HB3 :: 2.928 HD21 :: 6.779 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 :: 119.911 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.240 CA :: 57.066 CB :: 64.162 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.653 HA :: 4.793 HB2 :: 3.744 HB3 :: 3.642 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.075 Ave N Shift Values>> N :: 116.28(3.52) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.4 C Shift Assignments>> C :: 178.508 CA :: 60.694 CB :: 35.985 CG1 :: 21.139 CG2 :: 21.137 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 :: 8.728 HA :: 4.714 HB :: 1.641 HG11 :: 0.192 HG12 :: 0.192 HG13 :: 0.192 HG21 :: 0.330 HG22 :: 0.330 HG23 :: 0.330 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 :: 125.505 Ave N Shift Values>> N :: 121.14(4.54) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 E 0.23 Q 0.01 C Shift Assignments>> C :: 177.678 CA :: 54.449 CB :: 33.063 CG :: 36.458 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.001 HA :: 4.745 HB2 :: 1.721 HB3 :: 1.838 HG2 :: 1.804 HG3 :: 1.973 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 :: 128.353 Ave N Shift Values>> N :: 120.67(3.48) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 177.218 CA :: 62.657 CB :: 32.115 CG1 :: 22.794 CG2 :: 22.754 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 :: 8.770 HA :: 3.945 HB :: 1.997 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 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 :: 127.932 Ave N Shift Values>> N :: 121.14(4.54) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.36 A 0.26 C Shift Assignments>> C :: 175.588 CA :: 54.952 CB :: 41.360 CD1 :: 21.692 CD2 :: 25.517 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 :: 8.156 HA :: 4.505 HB2 :: 1.440 HB3 :: 1.595 HG :: 1.353 HD11 :: 0.628 HD12 :: 0.628 HD13 :: 0.628 HD21 :: 0.615 HD22 :: 0.615 HD23 :: 0.615 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 :: 122.757 Ave N Shift Values>> N :: 121.86(3.9) 1.C100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.25 R 0.19 D 0.09 C 0.04 F 0.03 Y 0.01 HN Overlap>> 1.C34 1.C34 C Shift Assignments>> C :: 181.040 CA :: 54.127 CB :: 44.129 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.801 HA :: 4.823 HB2 :: 3.106 HB3 :: 3.417 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 :: 111.981 Ave N Shift Values>> N :: 120.17(4.64) 1.H101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.34 C 0.26 C Shift Assignments>> C :: 180.835 CA :: 55.571 CB :: 30.492 CE1 :: 137.330 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.023 HA :: 4.458 HB2 :: 2.631 HB3 :: 3.425 HE1 :: 7.868 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.900 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> N 0.65 D 0.15 C 0.1 L 0.02 F 0.02 Y 0.01 C Shift Assignments>> CA :: 49.586 CB :: 39.180 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.311 HA :: 5.110 HB2 :: 2.011 HB3 :: 2.021 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 :: 103.460(S) Ave N Shift Values>> N :: 120.17(4.64) 1.P103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> C :: 176.278 CA :: 63.035 CB :: 33.140 CG :: 27.146 CD :: 51.732 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 :: 4.102 HB2 :: 2.110 HB3 :: 2.207 HG3 :: 1.820 HD2 :: 3.340 HD3 :: 3.751 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.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.899 CA :: 61.493 CB :: 63.454 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.357 HA :: 4.190 HB2 :: 4.002 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.333 Ave N Shift Values>> N :: 116.28(3.52) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.22 F 0.09 Y 0.09 C 0.08 L 0.07 C Shift Assignments>> C :: 177.721 CA :: 53.742 CB :: 39.224 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 HB3 :: 2.823 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.517 Ave N Shift Values>> N :: 120.65(3.86) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 C 0.42 G 0.01 HN Overlap>> 1.D71 1.D71 C Shift Assignments>> C :: 178.015 CA :: 55.645 CB :: 38.084 CG :: 26.647 CD :: 30.459 CE :: 42.435 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 :: 8.339 HA :: 4.518 HB2 :: 1.384 HB3 :: 1.492 HG2 :: 0.976 HG3 :: 1.237 HD2 :: 1.352 HD3 :: 1.356 HE2 :: 2.824 HE3 :: 2.877 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.232 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 I 0.13 G 0.11 A 0.01 HN Overlap>> 1.G23 1.G23 C Shift Assignments>> C :: 177.447 CA :: 58.986 CB :: 42.974 CG1 :: 25.491 CG2 :: 18.947 CD1 :: 15.129 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 :: 8.721 HA :: 4.749 HB :: 1.792 HG12 :: 1.059 HG13 :: 1.625 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 HD11 :: 1.052 HD12 :: 1.052 HD13 :: 1.052 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 :: 113.834 Ave N Shift Values>> N :: 121.46(4.28) 1.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 178.508 CA :: 56.691 CB :: 38.081 CE1 :: 117.951 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 :: 7.755 HA :: 5.810 HB2 :: 2.611 HB3 :: 3.482 HD1 :: 6.723 HE1 :: 6.725 HE2 :: 6.729 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 :: 119.446 Ave N Shift Values>> N :: 120.52(4.2) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 A 0.16 G 0.16 L 0.04 C Shift Assignments>> C :: 176.661 CA :: 53.351 CB :: 47.903 CG :: 26.580 CD1 :: 23.369 CD2 :: 27.151 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 :: 9.352 HA :: 5.521 HB2 :: 1.256 HB3 :: 1.791 HG :: 1.714 HD11 :: 1.241 HD12 :: 1.241 HD13 :: 1.241 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 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 :: 128.401 Ave N Shift Values>> N :: 121.86(3.9) 1.W110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 176.699 CA :: 57.803 CB :: 28.758 CD1 :: 126.835 CE3 :: 124.232 CZ2 :: 113.523 CZ3 :: 120.689 CH2 :: 124.477 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 :: 7.724 HA :: 3.842 HB2 :: 2.345 HB3 :: 3.183 HD1 :: 6.820 HE1 :: 9.704 HE3 :: 6.745 HZ2 :: 7.327 HZ3 :: 6.517 HH2 :: 6.907 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 :: 127.950 NE1 :: 128.836 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.31 G 0.02 A 0.02 C Shift Assignments>> C :: 175.726 CA :: 58.579 CB :: 42.265 CG1 :: 26.050 CG2 :: 17.860 CD1 :: 14.830 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 :: 7.315 HA :: 4.682 HB :: 1.775 HG12 :: 0.987 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 HD11 :: 0.498 HD12 :: 0.498 HD13 :: 0.498 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 :: 120.564 Ave N Shift Values>> N :: 121.46(4.28) 1.H112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.43 C 0.38 K 0.14 G 0.02 C Shift Assignments>> C :: 176.651 CA :: 57.015 CB :: 30.385 CG :: 27.676 CD :: 42.861 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 :: 6.030(S) HA :: 3.924 HB2 :: 1.671 HB3 :: 0.732(S) HG2 :: 1.288 HD2 :: 3.064 HD3 :: 3.128 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 :: 116.630 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.G114 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 :: 179.781 CA :: 46.196 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.967 HA2 :: 3.414 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 :: 105.346 Ave N Shift Values>> N :: 109.67(3.87) 1.Y115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 179.235 CA :: 55.648 CB :: 38.650 CD1 :: 133.509 CE1 :: 117.880 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 :: 5.763(S) HA :: 4.337 HB2 :: 3.279 HB3 :: 3.338 HD1 :: 6.676 HD2 :: 6.680 HE1 :: 6.539 HE2 :: 6.543 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 :: 113.879 Ave N Shift Values>> N :: 120.52(4.2) 1.Y116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 Y 0.2 G 0.03 C Shift Assignments>> C :: 175.760 CA :: 59.379 CB :: 42.004 CE1 :: 120.649 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 :: 9.372 HA :: 5.135 HB2 :: 2.736 HB3 :: 2.888 HD1 :: 6.533 HE1 :: 6.755 HE2 :: 6.766 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 :: 116.618 Ave N Shift Values>> N :: 120.52(4.2) 1.I117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 G 0.02 HN Overlap>> 1.S14 1.S14 C Shift Assignments>> C :: 179.295 CA :: 59.967 CB :: 41.872 CG1 :: 24.898 CG2 :: 18.959 CD1 :: 18.968(S) 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 :: 8.804 HA :: 4.942 HB :: 1.927 HG12 :: 1.255 HG13 :: 1.258 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 HD11 :: 0.978 HD12 :: 0.978 HD13 :: 0.978 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 :: 115.705 Ave N Shift Values>> N :: 121.46(4.28) 1.C118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.21 F 0.12 Y 0.12 C 0.1 L 0.08 I 0.01 C Shift Assignments>> C :: 178.363 CA :: 54.434 CB :: 39.181 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.615 HA :: 5.691 HB2 :: 2.549 HB3 :: 2.824 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.145 Ave N Shift Values>> N :: 120.17(4.64) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 I 0.17 G 0.16 C Shift Assignments>> C :: 179.240 CA :: 59.345 CB :: 43.586 CG1 :: 28.230 CG2 :: 16.765 CD1 :: 14.051 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 :: 9.553 HA :: 4.694 HB :: 1.641 HG12 :: 1.568 HG13 :: 1.629 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 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 :: 127.939 Ave N Shift Values>> N :: 121.46(4.28) 1.T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 180.258 CA :: 62.158 CB :: 69.836 CG2 :: 21.671 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 :: 8.052 HA :: 4.462 HB :: 3.934 HG21 :: 1.328 HG22 :: 1.328 HG23 :: 1.328 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 :: 123.700 Ave N Shift Values>> N :: 115.42(4.75) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.51 C 0.48 C Shift Assignments>> CA :: 61.571 CB :: 31.523 CG :: 27.717 CD :: 51.200 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 :: 4.390 HB2 :: 2.012 HB3 :: 2.283 HG2 :: 2.015 HG3 :: 2.177 HD2 :: 3.929 HD3 :: 3.932 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.P122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.025 CA :: 63.097 CB :: 32.246 CG :: 27.161 CD :: 51.198 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 :: 4.371 HB2 :: 1.652 HB3 :: 2.138 HG2 :: 1.650 HG3 :: 1.779 HD2 :: 3.717 HD3 :: 3.857 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.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.27 C 0.25 E 0.03 R 0.02 C Shift Assignments>> C :: 179.233 CA :: 53.105 CB :: 29.459 CG :: 33.699 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 :: 8.270 HA :: 4.669 HB2 :: 1.920 HB3 :: 2.122 HG2 :: 2.393 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 :: 121.843 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.36 C 0.27 Q 0.2 K 0.13 R 0.01 C Shift Assignments>> CB :: 33.700 CG :: 29.343 CD :: 50.588 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 :: 4.663 HB2 :: 2.391 HB3 :: 2.392 HG2 :: 1.914 HG3 :: 2.123 HD2 :: 3.684 HD3 :: 4.759 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) ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 15 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 118 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 124 #Suspicious: 0 C Shift Results: #Consistent: 450 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 H Shift Results: #Consistent: 675 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.G23 C = 182.005(S), Expected = 173.87, Std = 1.8800, ChiSquare = 1.5107e-05 1.G23 HA3 = 5.324(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.1877e-04 1.T41 C = 181.657(S), Expected = 174.54, Std = 1.7600, ChiSquare = 5.2603e-05 1.T44 HG21 = 0.108(S), Expected = 1.14, Std = 0.2300, ChiSquare = 7.2248e-06 1.T44 HG22 = 0.108(S), Expected = 1.14, Std = 0.2300, ChiSquare = 7.2248e-06 1.T44 HG23 = 0.108(S), Expected = 1.14, Std = 0.2300, ChiSquare = 7.2248e-06 1.L52 CG = 30.983(S), Expected = 26.78, Std = 1.1000, ChiSquare = 1.3296e-04 1.G60 C = 181.432(S), Expected = 173.87, Std = 1.8800, ChiSquare = 5.7623e-05 1.K65 CD = 33.710(S), Expected = 28.96, Std = 1.0800, ChiSquare = 1.0918e-05 1.S73 HA = 2.775(S), Expected = 4.48, Std = 0.4000, ChiSquare = 2.0215e-05 1.D80 HB2 = 1.786(S), Expected = 2.72, Std = 0.2600, ChiSquare = 3.2776e-04 1.K83 HB2 = 0.651(S), Expected = 1.78, Std = 0.2500, ChiSquare = 6.3019e-06 1.L85 HD21 = -0.271(S), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5702e-04 1.L85 HD22 = -0.271(S), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5702e-04 1.L85 HD23 = -0.271(S), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5702e-04 1.S90 HB3 = 4.764(S), Expected = 3.85, Std = 0.2700, ChiSquare = 7.1130e-04 1.C102 N = 103.460(S), Expected = 120.17, Std = 4.6400, ChiSquare = 3.1664e-04 1.R113 H = 6.030(S), Expected = 8.24, Std = 0.6100, ChiSquare = 2.9126e-04 1.R113 HB3 = 0.732(S), Expected = 1.76, Std = 0.2800, ChiSquare = 2.4120e-04 1.Y115 H = 5.763(S), Expected = 8.32, Std = 0.7300, ChiSquare = 4.6050e-04 1.I117 CD1 = 18.968(S), Expected = 13.43, Std = 1.6700, ChiSquare = 9.1261e-04