Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.75 A 0.11 N 0.06 D 0.02 C 0.01 C Shift Assignments>> C :: 176.423 CA :: 50.262(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.588 HA2 :: 3.154 HA3 :: 3.498 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.745 Ave N Shift Values>> N :: 109.67(3.87) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y128 1.Y128 C Shift Assignments>> C :: 176.370 CA :: 58.061 CB :: 64.244 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.152 HA :: 4.503 HB2 :: 3.864 HB3 :: 4.100 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 :: 123.431 Ave N Shift Values>> N :: 116.28(3.52) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L36 1.L36 C Shift Assignments>> C :: 173.980 CA :: 58.352 CB :: 64.194 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.374 HA :: 4.557 HB2 :: 3.865 HB3 :: 3.867 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 :: 119.474 Ave N Shift Values>> N :: 116.28(3.52) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.34 C Shift Assignments>> C :: 176.140 CA :: 60.612 CB :: 39.178 CG1 :: 27.234 CG2 :: 17.980 CD1 :: 13.422 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 :: 8.146 HA :: 4.389 HB :: 1.851 HG12 :: 1.216 HG13 :: 1.573 HG21 :: 1.027 HG22 :: 1.027 HG23 :: 1.027 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 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 :: 122.529 Ave N Shift Values>> N :: 121.46(4.28) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.074 CA :: 56.473 CB :: 65.494 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.866 HA :: 4.781 HB2 :: 4.054 HB3 :: 4.421 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 :: 123.389 Ave N Shift Values>> N :: 116.28(3.52) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.24 E 0.09 R 0.03 I 0.02 M 0.01 HN Overlap>> 1.A137 1.A137 C Shift Assignments>> C :: 177.723 CA :: 58.661 CB :: 28.820 CG :: 34.116 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 :: 7.877 HA :: 4.231 HB2 :: 1.640 HB3 :: 2.447 HG2 :: 2.117 HG3 :: 2.883 HE21 :: 7.066 HE22 :: 7.588 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.770 NE2 :: 112.296 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.15 K 0.07 Q 0.03 M 0.01 HN Overlap>> 1.M9 1.Q8 1.M9 1.Q8 C Shift Assignments>> C :: 177.839 CA :: 58.482 CB :: 29.071 CG :: 36.516 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 :: 8.479 HA :: 4.086 HB2 :: 0.999(S) HB3 :: 2.093 HG2 :: 1.664 HG3 :: 2.701 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 :: 118.931 Ave N Shift Values>> N :: 120.67(3.48) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.21 Q 0.19 K 0.19 I 0.04 M 0.01 R 0.01 HN Overlap>> 1.M9 1.M9 1.Q48 1.E7 1.Q48 1.E7 C Shift Assignments>> C :: 178.677 CA :: 58.434 CB :: 29.000 CG :: 34.939 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 :: 8.476 HA :: 3.819 HB2 :: 1.637 HB3 :: 1.649 HG2 :: 2.061 HG3 :: 2.063 HE21 :: 6.942 HE22 :: 7.204 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.958 NE2 :: 112.946 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.41 HN Overlap>> 1.Q8 1.Q48 1.E7 1.Q8 1.Q48 1.E7 C Shift Assignments>> C :: 178.800 CA :: 58.363 CB :: 30.980 CG :: 32.648 CE :: 17.048 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 :: 8.475 HA :: 4.285 HB2 :: 2.240 HB3 :: 2.260 HG2 :: 2.715 HG3 :: 2.719 HE1 :: 2.189 HE2 :: 2.189 HE3 :: 2.189 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 :: 118.981 Ave N Shift Values>> N :: 120.09(3.57) 1.Q10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 Q 0.24 K 0.22 R 0.08 E 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 179.135 CA :: 58.989 CB :: 28.078 CG :: 33.833 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 :: 8.030 HA :: 4.145 HB2 :: 2.263 HB3 :: 3.098(S) HG2 :: 2.474 HG3 :: 2.563 HE21 :: 6.905 HE22 :: 7.492 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 :: 117.907 NE2 :: 111.702 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.19 K 0.06 Q 0.02 M 0.01 HN Overlap>> 1.A92 1.A92 C Shift Assignments>> C :: 180.137 CA :: 59.226 CB :: 29.235 CG :: 36.521 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 :: 7.740 HA :: 4.207 HB2 :: 2.079 HB3 :: 2.081 HG2 :: 1.646 HG3 :: 1.658 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 :: 121.672 Ave N Shift Values>> N :: 120.67(3.48) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.41 F 0.04 C Shift Assignments>> C :: 178.955 CA :: 58.470 CB :: 37.970 CD1 :: 134.120 CE1 :: 129.960 CZ :: 132.120 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 :: 8.828 HA :: 5.059 HB2 :: 3.442 HB3 :: 3.549 HD1 :: 7.173 HD2 :: 7.235 HE1 :: 7.247 HE2 :: 7.253 HZ :: 7.700 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 :: 119.767 Ave N Shift Values>> N :: 120.45(4.18) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.41 K 0.07 G 0.03 HN Overlap>> 1.V68 1.V68 C Shift Assignments>> C :: 177.740 CA :: 59.566 CB :: 29.840 CG :: 27.018 CD :: 42.816 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 :: 8.955 HA :: 4.163 HB2 :: 2.051 HB3 :: 2.059 HG2 :: 1.612 HG3 :: 1.641 HD2 :: 2.987 HD3 :: 2.998 HE :: 7.224 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 :: 120.788 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.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 181.428 CA :: 55.331 CB :: 17.957 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.199 HA :: 4.273 HB1 :: 1.636 HB2 :: 1.636 HB3 :: 1.636 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.422 Ave N Shift Values>> N :: 123.23(3.54) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.500 CA :: 62.506 CB :: 63.276 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.406 HA :: 4.397 HB2 :: 4.397 HB3 :: 4.459 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 :: 115.518 Ave N Shift Values>> N :: 116.28(3.52) 1.F16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.52 F 0.26 C 0.21 C Shift Assignments>> C :: 176.815 CA :: 62.528 CB :: 39.805 CD1 :: 132.309 CE1 :: 131.498 CZ :: 131.563 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 :: 8.766 HA :: 3.656 HB2 :: 3.014 HB3 :: 3.271 HD1 :: 6.687 HD2 :: 6.687 HE1 :: 7.017 HE2 :: 8.710(S) HZ :: 7.021 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 :: 121.884 Ave N Shift Values>> N :: 120.45(4.18) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 C 0.19 N 0.19 F 0.15 E 0.09 D 0.06 M 0.03 I 0.03 L 0.02 C Shift Assignments>> C :: 177.870 CA :: 55.656 CB :: 37.925 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 :: 8.622 HA :: 4.441 HB2 :: 2.977 HB3 :: 2.995 HD21 :: 6.867 HD22 :: 7.640 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 :: 113.801 ND2 :: 110.868 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H18 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> C 0.52 H 0.47 HN Overlap>> 1.K95 1.K95 C Shift Assignments>> C :: 176.871 CA :: 59.556 CB :: 29.848 CD2 :: 120.008 CE1 :: 138.267 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 :: 8.053 HA :: 4.120 HB2 :: 3.104 HB3 :: 3.129 HD1 :: 8.071 HD2 :: 5.240(S) HE1 :: 7.635 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.506 ND1 :: 114.037(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.31 F 0.01 C Shift Assignments>> C :: 175.353 CA :: 60.905 CB :: 39.041 CD1 :: 132.866 CE1 :: 133.447 CZ :: 132.928 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 :: 7.629 HA :: 4.121 HB2 :: 2.506 HB3 :: 3.315 HD1 :: 7.711 HD2 :: 7.715 HE1 :: 7.271 HE2 :: 7.297 HZ :: 6.874 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 :: 113.589 Ave N Shift Values>> N :: 120.45(4.18) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.12 C 0.09 Y 0.05 F 0.05 L 0.02 M 0.01 HN Overlap>> 1.C35 1.L97 1.C35 1.L97 C Shift Assignments>> C :: 177.076 CA :: 52.510 CB :: 38.409 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 :: 7.448 HA :: 4.520 HB2 :: 1.883 HB3 :: 2.770 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 :: 120.988 Ave N Shift Values>> N :: 120.65(3.86) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.4 R 0.15 G 0.01 C Shift Assignments>> C :: 177.036 CA :: 58.479 CB :: 32.646 CG :: 24.989 CD :: 28.841 CE :: 42.420 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 :: 7.811 HA :: 3.749 HB2 :: 1.806 HB3 :: 1.814 HG2 :: 1.448 HG3 :: 1.516 HD2 :: 1.650 HD3 :: 1.666 HE2 :: 2.934 HE3 :: 2.966 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.461 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D22 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 :: 176.328 CA :: 52.703 CB :: 39.652 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.177 HA :: 4.435 HB2 :: 2.554 HB3 :: 2.923 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 :: 113.362 Ave N Shift Values>> N :: 120.65(3.86) 1.H23 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.5 H 0.49 C Shift Assignments>> C :: 175.476 CA :: 56.523 CB :: 26.579 CD2 :: 120.525 CE1 :: 137.119 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 :: 7.887 HA :: 4.416 HB2 :: 3.336 HB3 :: 3.377 HD1 :: 4.794 HD2 :: 7.116 HE1 :: 8.151 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 :: 114.943 ND1 :: 114.887(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 176.393 CA :: 46.378 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.902 HA2 :: 3.990 HA3 :: 4.223 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.350 Ave N Shift Values>> N :: 109.67(3.87) 1.G25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.044 CA :: 45.459 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.812(S) HA2 :: 3.705 HA3 :: 4.401 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.914 Ave N Shift Values>> N :: 109.67(3.87) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 A 0.34 C 0.14 K 0.03 C Shift Assignments>> C :: 175.309 CA :: 51.340 CB :: 22.824 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.392 HA :: 4.945 HB1 :: 1.323 HB2 :: 1.323 HB3 :: 1.323 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.391 Ave N Shift Values>> N :: 123.23(3.54) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 C 0.23 L 0.14 R 0.05 G 0.02 C Shift Assignments>> C :: 177.370 CA :: 52.502 CB :: 42.105 CG :: 25.809 CD1 :: 21.662 CD2 :: 26.931 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 :: 9.054 HA :: 5.514 HB2 :: 1.285 HB3 :: 1.777 HG :: 1.242 HD11 :: 0.172 HD12 :: 0.172 HD13 :: 0.172 HD21 :: 0.580 HD22 :: 0.580 HD23 :: 0.580 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 :: 123.185 Ave N Shift Values>> N :: 121.86(3.9) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.26 R 0.16 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.945 CA :: 44.368 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.669 HA2 :: 4.023 HA3 :: 4.756 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.809 Ave N Shift Values>> N :: 109.67(3.87) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.33 G 0.06 C Shift Assignments>> C :: 178.777 CA :: 67.175 CB :: 32.089 CG :: 28.410 CD :: 49.046 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 :: 4.362 HB2 :: 2.177 HB3 :: 2.580 HG2 :: 2.326 HG3 :: 2.328 HD2 :: 3.766 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.E30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 I 0.3 E 0.26 K 0.04 Q 0.01 C Shift Assignments>> C :: 180.253 CA :: 59.754 CB :: 28.738 CG :: 36.716 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 :: 8.723 HA :: 4.018 HB2 :: 1.263(S) HB3 :: 2.100 HG2 :: 2.357 HG3 :: 2.780 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 :: 115.540 Ave N Shift Values>> N :: 120.67(3.48) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.36 M 0.11 I 0.03 Q 0.01 HN Overlap>> 1.Q117 1.Q117 C Shift Assignments>> C :: 179.041 CA :: 58.444 CB :: 31.361 CG :: 36.700 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 :: 7.472 HA :: 4.378 HB2 :: 2.316 HB3 :: 2.380 HG2 :: 2.452 HG3 :: 2.706 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 :: 121.276 Ave N Shift Values>> N :: 120.67(3.48) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 C 0.27 Y 0.27 C Shift Assignments>> C :: 177.354 CA :: 59.021 CB :: 38.607 CD1 :: 131.115 CE1 :: 131.103 CZ :: 129.379 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 :: 9.144 HA :: 4.387 HB2 :: 3.043 HB3 :: 3.044 HD1 :: 6.850 HD2 :: 7.233 HE1 :: 6.854 HE2 :: 6.860 HZ :: 6.219 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.165 Ave N Shift Values>> N :: 120.45(4.18) 1.K33 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 K 0.36 R 0.02 C Shift Assignments>> C :: 177.145 CA :: 60.966 CB :: 31.648 CG :: 25.545 CD :: 29.172 CE :: 41.176 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 :: 8.716 HA :: 3.425 HB2 :: 1.561 HB3 :: 1.598 HG2 :: 0.744 HG3 :: 1.094 HD2 :: 1.182 HD3 :: 1.290 HE2 :: 2.108(S) HE3 :: 3.426 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 :: 120.064 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE3 : 0.9935) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.29 I 0.04 C 0.02 C Shift Assignments>> C :: 179.857 CA :: 55.377 CB :: 17.672 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.236 HA :: 3.951 HB1 :: 1.626 HB2 :: 1.626 HB3 :: 1.626 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.793 Ave N Shift Values>> N :: 123.23(3.54) 1.C35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.41 C 0.24 P 0.16 R 0.06 K 0.04 L 0.01 Q 0.01 H 0.01 HN Overlap>> 1.D20 1.D20 C Shift Assignments>> C :: 176.933 CA :: 61.277 CB :: 26.160 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.425 HA :: 2.621(S) HB2 :: 2.086 HB3 :: 2.909 HG :: 0.136(A) 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 :: 120.986 Ave N Shift Values>> N :: 120.17(4.64) 1.L36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.69 L 0.23 R 0.04 A 0.02 HN Overlap>> 1.S3 1.S3 C Shift Assignments>> C :: 179.991 CA :: 58.012 CB :: 41.427 CG :: 26.406 CD1 :: 21.626 CD2 :: 26.375 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 :: 8.390 HA :: 3.838 HB2 :: 1.018 HB3 :: 1.797 HG :: 0.220(S) HD11 :: 0.057 HD12 :: 0.057 HD13 :: 0.057 HD21 :: 0.221 HD22 :: 0.221 HD23 :: 0.221 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.468 Ave N Shift Values>> N :: 121.86(3.9) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 181.041 CA :: 65.385 CB :: 38.072 CG1 :: 29.855 CG2 :: 16.854 CD1 :: 13.857 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 :: 8.441 HA :: 3.972 HB :: 1.843 HG12 :: 1.047 HG13 :: 1.686 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 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 :: 120.998 Ave N Shift Values>> N :: 121.46(4.28) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L109 1.L109 C Shift Assignments>> C :: 175.551 CA :: 61.908 CB :: 63.237 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.768 HA :: 4.405 HB2 :: 3.984 HB3 :: 4.233 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 :: 118.828 Ave N Shift Values>> N :: 116.28(3.52) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 R 0.29 L 0.25 G 0.07 A 0.06 C Shift Assignments>> C :: 177.331 CA :: 55.053 CB :: 43.112 CG :: 27.116 CD1 :: 22.686 CD2 :: 27.289 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 :: 7.661 HA :: 4.549 HB2 :: 2.065 HB3 :: 2.136 HG :: 1.656 HD11 :: 1.088 HD12 :: 1.088 HD13 :: 1.088 HD21 :: 1.136 HD22 :: 1.136 HD23 :: 1.136 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 :: 120.815 Ave N Shift Values>> N :: 121.86(3.9) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 175.135 CA :: 45.612 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.950 HA2 :: 3.783 HA3 :: 4.243 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.568 Ave N Shift Values>> N :: 109.67(3.87) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.D61 1.D85 1.D61 1.D85 C Shift Assignments>> C :: 176.374 CA :: 59.118 CB :: 39.476 CD1 :: 134.047 CE1 :: 117.652 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 :: 8.111 HA :: 4.283 HB2 :: 2.659 HB3 :: 2.663 HD1 :: 7.301 HD2 :: 7.306 HE1 :: 6.800 HE2 :: 6.874 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 :: 120.130 Ave N Shift Values>> N :: 120.52(4.2) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.28 L 0.09 F 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 176.350 CA :: 53.331 CB :: 39.712 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 :: 9.148 HA :: 4.910 HB2 :: 2.603 HB3 :: 2.921 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 :: 125.083 Ave N Shift Values>> N :: 120.65(3.86) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 175.126 CA :: 60.275 CB :: 31.865 CG1 :: 19.725 CG2 :: 22.030 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 :: 7.373 HA :: 4.732 HB :: 2.390 HG11 :: 0.699 HG12 :: 0.699 HG13 :: 0.699 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 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 :: 112.383 Ave N Shift Values>> N :: 121.14(4.54) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.39 M 0.14 I 0.01 Q 0.01 K 0.01 C Shift Assignments>> C :: 176.318 CA :: 56.675 CB :: 31.063 CG :: 36.789 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 :: 8.260 HA :: 4.313 HB2 :: 1.914 HB3 :: 2.058 HG2 :: 2.146 HG3 :: 2.206 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 :: 120.348 Ave N Shift Values>> N :: 120.67(3.48) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.14 C 0.11 Y 0.1 F 0.09 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 175.258 CA :: 53.890 CB :: 38.503 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 :: 8.198 HA :: 4.757 HB2 :: 2.790 HB3 :: 2.853 HD21 :: 7.063 HD22 :: 7.591 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 :: 118.189 ND2 :: 112.197 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.13 F 0.09 N 0.07 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.349 CA :: 54.411 CB :: 41.422 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 :: 8.525 HA :: 4.517 HB2 :: 2.841 HB3 :: 2.847 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 :: 122.106 Ave N Shift Values>> N :: 120.65(3.86) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.44 G 0.06 K 0.03 HN Overlap>> 1.D83 1.D83 1.D152 1.D152 C Shift Assignments>> C :: 178.640 CA :: 58.808 CB :: 30.362 CG :: 27.247 CD :: 43.359 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 :: 8.429 HA :: 4.222 HB2 :: 1.904 HB3 :: 1.905 HG2 :: 1.707 HG3 :: 1.739 HD2 :: 3.233 HD3 :: 3.239 HE :: 7.169 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 :: 123.089 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.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.26 K 0.24 E 0.11 R 0.04 I 0.02 M 0.01 HN Overlap>> 1.M9 1.Q8 1.M9 1.Q8 C Shift Assignments>> C :: 178.076 CA :: 57.925 CB :: 28.652 CG :: 34.231 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 :: 8.528 HA :: 4.323 HB2 :: 2.158 HB3 :: 2.175 HG2 :: 2.145 HG3 :: 2.444 HE21 :: 6.886 HE22 :: 7.640 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 :: 119.051 NE2 :: 112.272 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.946 CA :: 46.903 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.374 HA2 :: 3.961 HA3 :: 4.103 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.363 Ave N Shift Values>> N :: 109.67(3.87) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 I 0.13 K 0.05 Q 0.03 M 0.02 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 178.540 CA :: 59.098 CB :: 29.760 CG :: 36.370 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 :: 8.236 HA :: 4.205 HB2 :: 1.576 HB3 :: 2.074 HG2 :: 2.267 HG3 :: 2.369 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 :: 121.900 Ave N Shift Values>> N :: 120.67(3.48) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 180.972 CA :: 55.192 CB :: 18.000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.968 HA :: 4.229 HB1 :: 1.569 HB2 :: 1.569 HB3 :: 1.569 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.668 Ave N Shift Values>> N :: 123.23(3.54) 1.E52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 Q 0.24 K 0.22 E 0.15 I 0.02 M 0.02 R 0.01 HN Overlap>> 1.E50 1.E50 C Shift Assignments>> C :: 178.300 CA :: 58.389 CB :: 29.149 CG :: 34.476 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 :: 8.236 HA :: 4.675 HB2 :: 0.834(S) HB3 :: 2.223 HG2 :: 2.216 HG3 :: 2.717 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 :: 121.888 Ave N Shift Values>> N :: 120.67(3.48) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 C 0.27 Y 0.27 C Shift Assignments>> C :: 176.848 CA :: 62.350 CB :: 39.030 CD1 :: 131.113 CE1 :: 131.115 CZ :: 131.034 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 :: 8.770 HA :: 3.937 HB2 :: 3.139 HB3 :: 3.142 HD1 :: 7.041 HD2 :: 7.162 HE1 :: 7.158 HE2 :: 7.518 HZ :: 7.161 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 :: 120.569 Ave N Shift Values>> N :: 120.45(4.18) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.2 F 0.17 N 0.13 E 0.09 D 0.05 I 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 178.334 CA :: 56.161 CB :: 37.989 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 :: 8.537 HA :: 4.170 HB2 :: 2.795 HB3 :: 2.883 HD21 :: 7.580 HD22 :: 8.591 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 :: 116.500 ND2 :: 111.997 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.43 G 0.05 K 0.04 C Shift Assignments>> C :: 179.295 CA :: 59.741 CB :: 30.240 CG :: 27.294 CD :: 43.090 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 :: 8.172 HA :: 3.975 HB2 :: 2.249 HB3 :: 2.248 HG2 :: 1.358 HG3 :: 1.359 HD2 :: 3.073 HD3 :: 3.442 HE :: 7.524 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 :: 122.971 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.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 HN Overlap>> 1.I91 1.I91 C Shift Assignments>> C :: 178.752 CA :: 65.972 CB :: 38.028 CG1 :: 29.281 CG2 :: 17.968 CD1 :: 14.337 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 :: 8.106 HA :: 3.426 HB :: 1.507 HG12 :: 0.871 HG13 :: 1.738 HG21 :: 0.648 HG22 :: 0.648 HG23 :: 0.648 HD11 :: 0.629 HD12 :: 0.629 HD13 :: 0.629 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 :: 121.257 Ave N Shift Values>> N :: 121.46(4.28) 1.M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.41 A 0.01 C Shift Assignments>> C :: 178.477 CA :: 56.994 CB :: 30.356 CG :: 32.172 CE :: 15.699 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 :: 8.642 HA :: 4.183 HB2 :: 1.608 HB3 :: 1.846 HG2 :: 2.178 HG3 :: 2.720 HE1 :: 1.777 HE2 :: 1.777 HE3 :: 1.777 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 :: 119.053 Ave N Shift Values>> N :: 120.09(3.57) 1.S58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.916 CA :: 61.687 CB :: 63.158 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.761 HA :: 4.049 HB2 :: 3.929 HB3 :: 4.775(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 :: 114.044 Ave N Shift Values>> N :: 116.28(3.52) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.35 R 0.07 G 0.02 HN Overlap>> 1.A133 1.A133 C Shift Assignments>> C :: 179.224 CA :: 56.813 CB :: 42.602 CG :: 26.668 CD1 :: 23.287 CD2 :: 25.513 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 :: 7.340 HA :: 4.265 HB2 :: 1.616 HB3 :: 2.034 HG :: 1.843 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 HD21 :: 0.980 HD22 :: 0.980 HD23 :: 0.980 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 :: 120.340 Ave N Shift Values>> N :: 121.86(3.9) 1.V60 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 :: 175.216 CA :: 62.267 CB :: 32.643 CG1 :: 21.620 CG2 :: 21.836 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 :: 7.675 HA :: 4.325 HB :: 1.918 HG11 :: 0.032 HG12 :: 0.032 HG13 :: 0.032 HG21 :: 0.653 HG22 :: 0.653 HG23 :: 0.653 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 :: 110.922 Ave N Shift Values>> N :: 121.14(4.54) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.19 K 0.06 C 0.05 F 0.04 Y 0.03 R 0.01 HN Overlap>> 1.D85 1.Y41 1.D85 1.Y41 C Shift Assignments>> C :: 179.320 CA :: 51.937 CB :: 41.404 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 :: 8.113 HA :: 5.167 HB2 :: 2.083 HB3 :: 2.786 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 :: 120.118 Ave N Shift Values>> N :: 120.65(3.86) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.592 CA :: 64.624 CB :: 31.598 CG :: 27.280 CD :: 50.761 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 :: 4.323 HB2 :: 1.890 HB3 :: 2.350 HG2 :: 1.821 HG3 :: 2.016 HD2 :: 3.222 HD3 :: 3.653 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.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.11 D 0.09 Y 0.05 F 0.05 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 175.304 CA :: 52.630 CB :: 37.990 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 :: 8.575 HA :: 4.749 HB2 :: 2.719 HB3 :: 2.785 HD21 :: 6.986 HD22 :: 7.465 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.014 ND2 :: 113.317 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H64 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.62 H 0.37 C Shift Assignments>> C :: 175.309 CA :: 56.701 CB :: 26.354 CD2 :: 120.621 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 :: 8.040 HA :: 4.199 HB2 :: 3.220 HB3 :: 3.319 HD1 :: 4.794 HD2 :: 7.086 HE1 :: 7.998 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 :: 116.777 ND1 :: 114.620(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.656 CA :: 60.754 CB :: 63.730 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.766 HA :: 4.259 HB2 :: 3.871 HB3 :: 4.757(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 :: 119.259 Ave N Shift Values>> N :: 116.28(3.52) 1.G66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.729 CA :: 45.106 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.617(S) HA2 :: 3.439 HA3 :: 4.147 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.509 Ave N Shift Values>> N :: 109.67(3.87) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.24 C 0.19 A 0.04 C Shift Assignments>> C :: 175.054 CA :: 53.436 CB :: 46.222 CG :: 26.135 CD1 :: 23.643 CD2 :: 25.298 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 :: 7.662 HA :: 4.763 HB2 :: 1.114 HB3 :: 1.406 HG :: 1.379 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 HD21 :: 0.733 HD22 :: 0.733 HD23 :: 0.733 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 :: 118.989 Ave N Shift Values>> N :: 121.86(3.9) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 HN Overlap>> 1.R13 1.R13 C Shift Assignments>> C :: 176.625 CA :: 62.033 CB :: 32.382 CG1 :: 19.950 CG2 :: 20.403 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 :: 8.939 HA :: 4.094 HB :: 1.895 HG11 :: 0.015 HG12 :: 0.015 HG13 :: 0.015 HG21 :: 0.590 HG22 :: 0.590 HG23 :: 0.590 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 :: 120.856 Ave N Shift Values>> N :: 121.14(4.54) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 174.810 CA :: 60.917 CB :: 71.067 CG2 :: 22.155 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 :: 7.733 HA :: 4.649 HB :: 4.792 HG21 :: 1.349 HG22 :: 1.349 HG23 :: 1.349 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.851 Ave N Shift Values>> N :: 115.42(4.75) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.28 F 0.15 C Shift Assignments>> C :: 176.887 CA :: 61.887 CB :: 38.441 CD1 :: 131.715 CE1 :: 132.979 CZ :: 131.026 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 :: 9.139 HA :: 3.642 HB2 :: 2.336 HB3 :: 2.669 HD1 :: 6.426 HD2 :: 6.436 HE1 :: 7.091 HE2 :: 7.288 HZ :: 6.732 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 :: 121.664 Ave N Shift Values>> N :: 120.45(4.18) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.24 K 0.23 R 0.07 E 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 177.557 CA :: 58.784 CB :: 28.220 CG :: 33.879 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 :: 8.526 HA :: 3.626 HB2 :: 1.902 HB3 :: 2.133 HG2 :: 2.326 HG3 :: 2.406 HE21 :: 6.900 HE22 :: 7.476 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 :: 116.616 NE2 :: 111.886 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.32 C 0.04 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 180.686 CA :: 54.992 CB :: 19.189 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.681 HA :: 4.148 HB1 :: 1.616 HB2 :: 1.616 HB3 :: 1.616 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.485 Ave N Shift Values>> N :: 123.23(3.54) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.23 F 0.18 C Shift Assignments>> C :: 176.642 CA :: 61.873 CB :: 39.778 CD1 :: 131.712 CE1 :: 131.710 CZ :: 132.177 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 :: 8.480 HA :: 3.999 HB2 :: 3.134 HB3 :: 3.385 HD1 :: 7.053 HD2 :: 7.689 HE1 :: 6.421 HE2 :: 7.651 HZ :: 7.681 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 :: 119.951 Ave N Shift Values>> N :: 120.45(4.18) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 178.834 CA :: 63.755 CB :: 36.323 CG1 :: 26.518 CG2 :: 18.698 CD1 :: 12.697 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 :: 8.436 HA :: 3.159 HB :: 1.651 HG12 :: 0.946 HG13 :: 0.954 HG21 :: 0.584 HG22 :: 0.584 HG23 :: 0.584 HD11 :: 0.582 HD12 :: 0.582 HD13 :: 0.582 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 :: 117.956 Ave N Shift Values>> N :: 121.46(4.28) 1.D75 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 0.05 N 0.01 C Shift Assignments>> C :: 178.521 CA :: 57.820 CB :: 40.395 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 :: 8.132 HA :: 4.212 HB2 :: 2.651 HB3 :: 2.779 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 :: 123.597 Ave N Shift Values>> N :: 120.65(3.86) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.29 F 0.01 C Shift Assignments>> C :: 177.513 CA :: 61.162 CB :: 39.697 CD1 :: 133.415 CE1 :: 133.364 CZ :: 132.514 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 :: 7.830 HA :: 4.150 HB2 :: 2.988 HB3 :: 3.139 HD1 :: 6.933 HD2 :: 7.099 HE1 :: 6.931 HE2 :: 7.762 HZ :: 6.428 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 :: 120.582 Ave N Shift Values>> N :: 120.45(4.18) 1.M77 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.88 K 0.11 C Shift Assignments>> C :: 179.174 CA :: 55.840 CB :: 30.133 CG :: 31.586 CE :: 27.647(S) 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 :: 8.405 HA :: 3.790 HB2 :: 1.025 HB3 :: 1.055 HG2 :: 1.260(S) HG3 :: 1.612 HE1 :: 3.088 HE2 :: 3.088 HE3 :: 3.088 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 :: 117.078 Ave N Shift Values>> N :: 120.09(3.57) 1.S78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.121 CA :: 60.646 CB :: 63.581 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.078 HA :: 4.258 HB2 :: 4.017 HB3 :: 4.793(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 :: 114.061 Ave N Shift Values>> N :: 116.28(3.52) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.41 G 0.07 K 0.04 C Shift Assignments>> C :: 177.281 CA :: 57.398 CB :: 30.402 CG :: 27.376 CD :: 43.477 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.279 HA :: 4.175 HB2 :: 1.838 HB3 :: 1.841 HG2 :: 1.600 HG3 :: 1.678 HD2 :: 3.162 HD3 :: 3.160 HE :: 6.864 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 :: 121.650 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.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 M 0.1 K 0.04 Q 0.04 I 0.03 C Shift Assignments>> C :: 177.343 CA :: 57.119 CB :: 30.474 CG :: 36.413 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 :: 7.988 HA :: 4.174 HB2 :: 1.807 HB3 :: 2.000 HG2 :: 1.855 HG3 :: 1.861 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 :: 119.869 Ave N Shift Values>> N :: 120.67(3.48) 1.T81 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 :: 174.834 CA :: 62.129 CB :: 69.870 CG2 :: 21.602 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 :: 7.880 HA :: 4.409 HB :: 4.319 HG21 :: 1.251 HG22 :: 1.251 HG23 :: 1.251 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 :: 112.701 Ave N Shift Values>> N :: 115.42(4.75) 1.T82 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 :: 174.517 CA :: 62.183 CB :: 69.823 CG2 :: 21.642 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 :: 8.026 HA :: 4.397 HB :: 4.267 HG21 :: 1.198 HG22 :: 1.198 HG23 :: 1.198 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.177 Ave N Shift Values>> N :: 115.42(4.75) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 K 0.12 F 0.11 Y 0.08 N 0.07 C 0.06 R 0.01 HN Overlap>> 1.R47 1.D152 1.R47 1.D152 C Shift Assignments>> C :: 177.107 CA :: 54.898 CB :: 41.185 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 :: 8.433 HA :: 4.739 HB2 :: 2.262 HB3 :: 2.694 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 :: 123.197 Ave N Shift Values>> N :: 120.65(3.86) 1.T84 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.R110 1.R110 1.T86 1.T86 C Shift Assignments>> C :: 175.241 CA :: 62.202 CB :: 69.711 CG2 :: 21.706 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 :: 8.155 HA :: 4.321 HB :: 4.262 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 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 :: 114.656 Ave N Shift Values>> N :: 115.42(4.75) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 F 0.11 K 0.11 N 0.09 Y 0.08 C 0.06 R 0.01 HN Overlap>> 1.D61 1.D61 1.Q89 1.Y41 1.Q89 1.Y41 C Shift Assignments>> C :: 176.518 CA :: 54.739 CB :: 41.080 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 :: 8.111 HA :: 4.692 HB2 :: 2.704 HB3 :: 2.723 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 :: 120.136 Ave N Shift Values>> N :: 120.65(3.86) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> 1.R110 1.T84 1.R110 1.T84 C Shift Assignments>> C :: 175.457 CA :: 63.315 CB :: 69.684 CG2 :: 22.021 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 :: 8.157 HA :: 4.204 HB :: 4.270 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 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 :: 114.599 Ave N Shift Values>> N :: 115.42(4.75) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.39 C 0.03 I 0.02 C Shift Assignments>> C :: 178.568 CA :: 54.793 CB :: 18.671 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.413 HA :: 4.157 HB1 :: 1.491 HB2 :: 1.491 HB3 :: 1.491 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.793 Ave N Shift Values>> N :: 123.23(3.54) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 L 0.17 Y 0.17 D 0.16 K 0.12 C 0.08 N 0.02 I 0.02 C Shift Assignments>> C :: 178.030 CA :: 56.633 CB :: 40.873 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 :: 8.238 HA :: 4.439 HB2 :: 2.688 HB3 :: 2.694 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 :: 117.053 Ave N Shift Values>> N :: 120.65(3.86) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.26 E 0.07 R 0.05 M 0.02 I 0.01 HN Overlap>> 1.E150 1.L147 1.D85 1.E150 1.L147 1.D85 C Shift Assignments>> C :: 178.088 CA :: 58.072 CB :: 28.722 CG :: 33.907 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 :: 8.048 HA :: 4.139 HB2 :: 2.113 HB3 :: 2.103 HG2 :: 2.359 HG3 :: 2.420 HE21 :: 6.805 HE22 :: 7.467 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.224 NE2 :: 112.251 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.816 CA :: 65.493 CB :: 31.670 CG1 :: 21.634 CG2 :: 22.127 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.992 HA :: 3.567 HB :: 2.004 HG11 :: 0.546 HG12 :: 0.546 HG13 :: 0.546 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.496 Ave N Shift Values>> N :: 121.14(4.54) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> 1.I56 1.I56 C Shift Assignments>> C :: 177.643 CA :: 64.849 CB :: 38.001 CG1 :: 29.539 CG2 :: 17.844 CD1 :: 13.359 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 :: 8.112 HA :: 3.579 HB :: 1.911 HG12 :: 1.407 HG13 :: 1.791 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 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 :: 121.242 Ave N Shift Values>> N :: 121.46(4.28) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.42 C 0.02 I 0.02 HN Overlap>> 1.E11 1.E11 C Shift Assignments>> C :: 179.940 CA :: 54.818 CB :: 18.510 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.820 HA :: 4.097 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.711 Ave N Shift Values>> N :: 123.23(3.54) 1.S93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.872 CA :: 60.727 CB :: 62.721 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.776 HA :: 4.226 HB2 :: 3.780 HB3 :: 4.780(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 :: 114.191 Ave N Shift Values>> N :: 116.28(3.52) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.32 C 0.3 C Shift Assignments>> C :: 176.709 CA :: 59.161 CB :: 38.612 CD1 :: 131.068 CE1 :: 131.121 CZ :: 131.530 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 :: 7.849 HA :: 4.218 HB2 :: 2.543 HB3 :: 2.953 HD1 :: 6.915 HD2 :: 6.930 HE1 :: 6.932 HE2 :: 6.991 HZ :: 6.329 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 :: 122.320 Ave N Shift Values>> N :: 120.45(4.18) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.4 R 0.12 G 0.01 HN Overlap>> 1.H18 1.H18 C Shift Assignments>> C :: 178.897 CA :: 59.710 CB :: 32.217 CG :: 25.304 CD :: 29.362 CE :: 42.421 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 :: 7.956 HA :: 3.619 HB2 :: 1.869 HB3 :: 1.905 HG2 :: 1.471 HG3 :: 1.479 HD2 :: 1.714 HD3 :: 1.723 HE2 :: 2.978 HE3 :: 3.347 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 :: 119.530 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 179.307 CA :: 65.538 CB :: 32.006 CG1 :: 21.093 CG2 :: 22.233 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 :: 7.296 HA :: 3.719 HB :: 2.097 HG11 :: 0.907 HG12 :: 0.907 HG13 :: 0.907 HG21 :: 1.033 HG22 :: 1.033 HG23 :: 1.033 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.826 Ave N Shift Values>> N :: 121.14(4.54) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.36 R 0.03 G 0.02 HN Overlap>> 1.D20 1.D20 C Shift Assignments>> C :: 177.934 CA :: 57.251 CB :: 42.536 CG :: 26.702 CD1 :: 23.482 CD2 :: 24.859 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 :: 7.545 HA :: 4.007 HB2 :: 1.397 HB3 :: 1.752 HG :: 1.736 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.781 HD22 :: 0.781 HD23 :: 0.781 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 :: 121.033 Ave N Shift Values>> N :: 121.86(3.9) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.12 C 0.02 HN Overlap>> 1.D100 1.D100 C Shift Assignments>> C :: 179.350 CA :: 53.059 CB :: 19.260 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.097 HA :: 4.000 HB1 :: 1.170 HB2 :: 1.170 HB3 :: 1.170 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.286 Ave N Shift Values>> N :: 123.23(3.54) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 175.101 CA :: 47.315 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.810 HA2 :: 3.808 HA3 :: 3.811 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.083 Ave N Shift Values>> N :: 109.67(3.87) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 F 0.12 K 0.1 Y 0.09 N 0.08 C 0.06 HN Overlap>> 1.A98 1.A98 C Shift Assignments>> C :: 176.091 CA :: 54.905 CB :: 40.983 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 :: 8.102 HA :: 4.445 HB2 :: 2.084 HB3 :: 2.764 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 :: 119.324 Ave N Shift Values>> N :: 120.65(3.86) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.45 R 0.01 C Shift Assignments>> C :: 175.764 CA :: 56.219 CB :: 33.749 CG :: 23.903 CD :: 28.931 CE :: 40.771 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 :: 7.488 HA :: 4.254 HB2 :: 1.117 HB3 :: 1.888 HG2 :: 1.327 HG3 :: 1.473 HD2 :: 1.265 HD3 :: 1.628 HE2 :: 2.782 HE3 :: 2.937 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 :: 117.734 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.27 L 0.1 F 0.1 Y 0.09 C 0.07 C Shift Assignments>> C :: 172.287 CA :: 53.884 CB :: 39.692 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 :: 8.775 HA :: 4.603 HB2 :: 2.657 HB3 :: 2.986 HD21 :: 7.089 HD22 :: 8.066 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 :: 117.058 ND2 :: 114.475 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.59 F 0.22 C 0.17 C Shift Assignments>> C :: 171.785 CA :: 54.992 CB :: 40.917 CD1 :: 132.248 CE1 :: 132.255 CZ :: 131.639 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 :: 6.691 HA :: 4.984 HB2 :: 1.764(S) HB3 :: 2.920 HD1 :: 6.333 HD2 :: 7.214 HE1 :: 6.334 HE2 :: 6.343 HZ :: 7.335 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 :: 112.413 Ave N Shift Values>> N :: 120.45(4.18) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.15 G 0.12 HN Overlap>> 1.T105 1.T105 C Shift Assignments>> C :: 173.965 CA :: 59.059 CB :: 43.385 CG1 :: 28.955 CG2 :: 17.460 CD1 :: 14.815 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 :: 8.778 HA :: 4.914 HB :: 1.583 HG12 :: 1.275 HG13 :: 1.684 HG21 :: 0.769 HG22 :: 0.769 HG23 :: 0.769 HD11 :: 0.643 HD12 :: 0.643 HD13 :: 0.643 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 :: 115.976 Ave N Shift Values>> N :: 121.46(4.28) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 HN Overlap>> 1.I104 1.I104 C Shift Assignments>> C :: 175.591 CA :: 60.218 CB :: 71.755 CG2 :: 22.126 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 :: 8.848 HA :: 5.266 HB :: 4.728 HG21 :: 1.262 HG22 :: 1.262 HG23 :: 1.262 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 :: 115.966 Ave N Shift Values>> N :: 115.42(4.75) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.29 I 0.05 C 0.03 C Shift Assignments>> C :: 179.343 CA :: 55.608 CB :: 18.039 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.899 HA :: 3.913 HB1 :: 1.494 HB2 :: 1.494 HB3 :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.059 Ave N Shift Values>> N :: 123.23(3.54) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.3 I 0.23 K 0.03 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.383 CA :: 59.923 CB :: 29.516 CG :: 36.658 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 :: 8.544 HA :: 3.929 HB2 :: 1.940 HB3 :: 1.949 HG2 :: 2.320 HG3 :: 2.320 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 :: 115.877 Ave N Shift Values>> N :: 120.67(3.48) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 I 0.28 E 0.23 K 0.01 M 0.01 C Shift Assignments>> C :: 178.989 CA :: 59.782 CB :: 29.824 CG :: 37.550 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 :: 7.747 HA :: 3.909 HB2 :: 1.890 HB3 :: 2.365 HG2 :: 2.309 HG3 :: 2.313 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 :: 119.886 Ave N Shift Values>> N :: 120.67(3.48) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.24 L 0.19 G 0.02 K 0.01 HN Overlap>> 1.S38 1.S38 C Shift Assignments>> C :: 178.233 CA :: 58.856 CB :: 42.392 CG :: 27.061 CD1 :: 24.940 CD2 :: 27.504 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 :: 7.770 HA :: 3.890 HB2 :: 1.194 HB3 :: 2.025 HG :: 1.635 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 HD21 :: 0.663 HD22 :: 0.663 HD23 :: 0.663 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 :: 118.831 Ave N Shift Values>> N :: 121.86(3.9) 1.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.44 G 0.06 K 0.03 HN Overlap>> 1.T84 1.T86 1.T84 1.T86 C Shift Assignments>> C :: 178.135 CA :: 58.834 CB :: 29.975 CG :: 27.283 CD :: 43.311 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 :: 8.249 HA :: 3.935 HB2 :: 1.441 HB3 :: 1.788 HG2 :: 1.700 HG3 :: 1.768 HD2 :: 3.078 HD3 :: 3.083 HE :: 8.173 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 :: 114.662 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.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.43 G 0.08 K 0.03 C Shift Assignments>> C :: 178.133 CA :: 58.425 CB :: 31.033 CG :: 27.168 CD :: 43.605 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.704 HA :: 4.218 HB2 :: 1.981 HB3 :: 1.984 HG2 :: 0.831 HG3 :: 1.745 HD2 :: 3.249 HD3 :: 3.251 HE :: 7.346 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 :: 117.956 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.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 M 0.3 E 0.23 Q 0.08 C Shift Assignments>> C :: 176.629 CA :: 56.819 CB :: 32.076 CG :: 35.352 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 :: 7.531 HA :: 4.431 HB2 :: 1.763 HB3 :: 2.201 HG2 :: 2.453 HG3 :: 2.458 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 :: 115.322 Ave N Shift Values>> N :: 120.67(3.48) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.15 A 0.11 G 0.04 C Shift Assignments>> C :: 174.163 CA :: 52.425 CB :: 42.591 CG :: 26.841 CD1 :: 22.911 CD2 :: 23.317 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 :: 7.948 HA :: 4.933 HB2 :: 1.379 HB3 :: 1.753 HG :: 0.885 HD11 :: 0.902 HD12 :: 0.902 HD13 :: 0.902 HD21 :: 0.895 HD22 :: 0.895 HD23 :: 0.895 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.317 Ave N Shift Values>> N :: 121.86(3.9) 1.P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.47 C Shift Assignments>> CA :: 61.504 CB :: 31.035 CG :: 28.290 CD :: 50.239 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 :: 4.738 HB2 :: 1.992 HB3 :: 2.546 HG2 :: 2.102 HG3 :: 2.116 HD2 :: 3.546 HD3 :: 3.904 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.P115 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 :: 178.299 CA :: 66.607 CB :: 32.168 CG :: 27.782 CD :: 50.266 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 :: 4.290 HB2 :: 2.073 HB3 :: 2.484 HG2 :: 2.176 HG3 :: 2.196 HD2 :: 3.860 HD3 :: 3.894 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.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.15 D 0.09 L 0.06 I 0.06 N 0.05 C Shift Assignments>> C :: 179.213 CA :: 56.950 CB :: 39.231 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 :: 8.812 HA :: 4.384 HB2 :: 2.658 HB3 :: 2.765 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.876 Ave N Shift Values>> N :: 120.65(3.86) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.25 E 0.09 R 0.03 M 0.02 I 0.01 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> C :: 178.360 CA :: 58.373 CB :: 29.118 CG :: 33.992 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 :: 7.474 HA :: 4.781 HB2 :: 2.104 HB3 :: 2.165 HG2 :: 1.704 HG3 :: 2.442 HE21 :: 6.666 HE22 :: 7.484 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 :: 121.221 NE2 :: 110.201 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.17 I 0.11 C 0.03 V 0.01 C Shift Assignments>> C :: 179.257 CA :: 56.456 CB :: 18.052 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.879 HA :: 3.811 HB1 :: 1.336 HB2 :: 1.336 HB3 :: 1.336 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.544 Ave N Shift Values>> N :: 123.23(3.54) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.28 K 0.13 I 0.12 Q 0.1 C Shift Assignments>> C :: 179.351 CA :: 58.984 CB :: 28.751 CG :: 35.580 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 :: 8.223 HA :: 4.057 HB2 :: 1.785 HB3 :: 2.165 HG2 :: 2.445 HG3 :: 2.600 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 :: 114.031 Ave N Shift Values>> N :: 120.67(3.48) 1.Y120 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 :: 177.755 CA :: 61.038 CB :: 38.731 CD1 :: 134.056 CE1 :: 117.641 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 :: 7.684 HA :: 4.124 HB2 :: 3.328 HB3 :: 3.408 HD1 :: 7.266 HD2 :: 7.277 HE1 :: 6.780 HE2 :: 6.868 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 :: 120.442 Ave N Shift Values>> N :: 120.52(4.2) 1.C121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.39 C 0.09 C Shift Assignments>> C :: 176.835 CA :: 64.314 CB :: 27.529 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.060 HA :: 4.133 HB2 :: 2.563 HB3 :: 3.097 HG :: 3.080 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 :: 115.785 Ave N Shift Values>> N :: 120.17(4.64) 1.I122 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 :: 177.369 CA :: 65.748 CB :: 39.031 CG1 :: 31.561 CG2 :: 16.960 CD1 :: 14.471 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 :: 8.484 HA :: 3.350 HB :: 1.698 HG12 :: 0.715 HG13 :: 0.717 HG21 :: 0.887 HG22 :: 0.887 HG23 :: 0.887 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 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 :: 120.124 Ave N Shift Values>> N :: 121.46(4.28) 1.A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.02 HN Overlap>> 1.R124 1.R124 C Shift Assignments>> C :: 178.533 CA :: 53.365 CB :: 19.123 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.335 HA :: 4.218 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.839 Ave N Shift Values>> N :: 123.23(3.54) 1.R124 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.37 C 0.34 R 0.27 HN Overlap>> 1.A123 1.A123 C Shift Assignments>> C :: 174.882 CA :: 56.094 CB :: 31.556 CG :: 28.185 CD :: 42.070 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.320 HA :: 4.291 HB2 :: 1.330 HB3 :: 2.323 HG2 :: 1.307 HG3 :: 1.377 HD2 :: 2.236(S) HD3 :: 2.783 HE :: 6.881 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 :: 116.732 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HD2 > HB3 : 0.9951) 1.M125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 A 0.37 M 0.08 C Shift Assignments>> C :: 173.719 CA :: 55.559 CB :: 36.680 CG :: 34.456 CE :: 18.628 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 :: 7.241 HA :: 4.549 HB2 :: 1.711 HB3 :: 1.709 HG2 :: 2.264 HG3 :: 2.717 HE1 :: 1.265 HE2 :: 1.265 HE3 :: 1.265 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 :: 118.178 Ave N Shift Values>> N :: 120.09(3.57) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 C Shift Assignments>> C :: 174.593 CA :: 49.567 CB :: 18.617 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.639 HA :: 4.017 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.371 Ave N Shift Values>> N :: 123.23(3.54) 1.P127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 174.023 CA :: 62.751 CB :: 32.073 CG :: 27.681 CD :: 50.269 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 :: 4.554 HB2 :: 1.728 HB3 :: 2.383 HG2 :: 1.990 HG3 :: 2.071 HD2 :: 3.520 HD3 :: 3.608 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.Y128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.S2 1.S2 C Shift Assignments>> C :: 174.518 CA :: 57.814 CB :: 39.206 CD1 :: 133.304 CE1 :: 118.813 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 :: 8.166 HA :: 4.508 HB2 :: 2.280 HB3 :: 2.477 HD1 :: 6.646 HD2 :: 6.649 HE1 :: 6.692 HE2 :: 6.696 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 :: 123.433 Ave N Shift Values>> N :: 120.52(4.2) 1.Q129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 C 0.22 M 0.2 K 0.17 E 0.04 C Shift Assignments>> C :: 174.535 CA :: 54.209 CB :: 30.256 CG :: 33.728 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 :: 8.188 HA :: 4.347 HB2 :: 1.604 HB3 :: 2.070 HG2 :: 2.074 HG3 :: 2.075 HE21 :: 6.798 HE22 :: 7.456 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 :: 125.962 NE2 :: 111.943 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.712 CA :: 45.053 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.101(S) HA2 :: 3.726 HA3 :: 4.067 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.958 Ave N Shift Values>> N :: 109.67(3.87) 1.P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 176.567 CA :: 64.909 CB :: 31.568 CG :: 27.469 CD :: 49.672 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 :: 4.392 HB2 :: 2.062 HB3 :: 2.355 HG2 :: 2.081 HG3 :: 2.097 HD2 :: 3.678 HD3 :: 3.682 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.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.2 C 0.07 F 0.05 Y 0.05 L 0.05 C Shift Assignments>> C :: 174.849 CA :: 52.515 CB :: 39.092 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 :: 9.510 HA :: 4.615 HB2 :: 2.775 HB3 :: 3.130 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 :: 115.323 Ave N Shift Values>> N :: 120.65(3.86) 1.A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.11 C 0.04 L 0.03 HN Overlap>> 1.L59 1.L59 C Shift Assignments>> C :: 176.225 CA :: 53.804 CB :: 19.849 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.416 HA :: 3.362 HB1 :: 1.312 HB2 :: 1.312 HB3 :: 1.312 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.373 Ave N Shift Values>> N :: 123.23(3.54) 1.V134 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.89 V 0.06 A 0.04 C Shift Assignments>> C :: 173.576 CA :: 57.842 CB :: 32.087 CG1 :: 18.173 CG2 :: 21.604 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 :: 5.739(S) HA :: 4.709 HB :: 2.302 HG11 :: 0.652 HG12 :: 0.652 HG13 :: 0.652 HG21 :: 1.014 HG22 :: 1.014 HG23 :: 1.014 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.384 Ave N Shift Values>> N :: 121.14(4.54) 1.P135 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 :: 177.751 CA :: 64.509 CB :: 31.652 CG :: 27.996 CD :: 50.365 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 :: 4.320 HB2 :: 1.328 HB3 :: 2.334 HG2 :: 1.966 HG3 :: 2.130 HD2 :: 3.609 HD3 :: 3.832 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.G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.768 CA :: 45.134 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.837 HA2 :: 3.750 HA3 :: 4.368 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.076 Ave N Shift Values>> N :: 109.67(3.87) 1.A137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.05 L 0.05 C 0.04 HN Overlap>> 1.Q6 1.Q6 C Shift Assignments>> C :: 177.170 CA :: 53.307 CB :: 20.353 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.784 HA :: 4.016 HB1 :: 1.025 HB2 :: 1.025 HB3 :: 1.025 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.746 Ave N Shift Values>> N :: 123.23(3.54) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 C 0.23 L 0.22 A 0.07 R 0.05 C Shift Assignments>> C :: 176.006 CA :: 54.444 CB :: 44.576 CG :: 26.780 CD1 :: 22.748 CD2 :: 26.796 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 :: 9.635 HA :: 4.815 HB2 :: 1.157 HB3 :: 1.894 HG :: 1.920 HD11 :: 0.705 HD12 :: 0.705 HD13 :: 0.705 HD21 :: 0.784 HD22 :: 0.784 HD23 :: 0.784 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 :: 126.376 Ave N Shift Values>> N :: 121.86(3.9) 1.D139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.26 L 0.16 C 0.05 F 0.05 Y 0.03 K 0.03 C Shift Assignments>> C :: 177.211 CA :: 52.172 CB :: 40.892 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 :: 9.125 HA :: 4.958 HB2 :: 2.373 HB3 :: 3.025 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 :: 120.138 Ave N Shift Values>> N :: 120.65(3.86) 1.Y140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.42 C Shift Assignments>> C :: 176.726 CA :: 59.194 CB :: 37.472 CD1 :: 132.883 CE1 :: 118.248 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 :: 7.597 HA :: 4.572 HB2 :: 2.408 HB3 :: 3.012 HD1 :: 6.829 HD2 :: 6.832 HE1 :: 6.526 HE2 :: 6.798 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 :: 126.267 Ave N Shift Values>> N :: 120.52(4.2) 1.K141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 K 0.3 R 0.26 G 0.01 C Shift Assignments>> C :: 177.708 CA :: 58.986 CB :: 31.545 CG :: 26.157 CD :: 29.294 CE :: 42.374 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 :: 7.703 HA :: 4.140 HB2 :: 1.904 HB3 :: 1.903 HG2 :: 1.096 HG3 :: 1.236 HD2 :: 0.629(S) HD3 :: 1.673 HE2 :: 2.132(S) HE3 :: 2.981 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 :: 122.017 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.379 CA :: 59.084 CB :: 64.333 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.705 HA :: 4.485 HB2 :: 3.868 HB3 :: 4.142 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 :: 113.353 Ave N Shift Values>> N :: 116.28(3.52) 1.F143 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.67 C 0.28 F 0.04 C Shift Assignments>> C :: 175.109 CA :: 59.554 CB :: 40.302 CD1 :: 133.439 CE1 :: 133.217 CZ :: 132.002 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 :: 7.313 HA :: 4.661 HB2 :: 3.188 HB3 :: 3.269 HD1 :: 1.787(A) HD2 :: 7.236 HE1 :: 6.519 HE2 :: 7.497 HZ :: 6.815 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 :: 122.780 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HD1 > HA : 0.9976) (HD1 > HB2 : 0.9990) (HD1 > HB3 : 0.9995) 1.S144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.434 CA :: 57.949 CB :: 64.578 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.533 HA :: 4.314 HB2 :: 4.010 HB3 :: 4.013 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 :: 119.286 Ave N Shift Values>> N :: 116.28(3.52) 1.T145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> 1.G149 1.G149 C Shift Assignments>> C :: 175.460 CA :: 63.735 CB :: 69.129 CG2 :: 22.142 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 :: 8.030 HA :: 4.023 HB :: 4.328 HG21 :: 1.308 HG22 :: 1.308 HG23 :: 1.308 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 :: 111.703 Ave N Shift Values>> N :: 115.42(4.75) 1.A146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> C :: 177.646 CA :: 52.612 CB :: 19.157 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.907 HA :: 4.257 HB1 :: 1.296 HB2 :: 1.296 HB3 :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.384 Ave N Shift Values>> N :: 123.23(3.54) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.3 R 0.06 G 0.02 HN Overlap>> 1.E150 1.E150 1.Q89 1.Q89 C Shift Assignments>> C :: 177.635 CA :: 55.647 CB :: 42.522 CG :: 27.210 CD1 :: 24.685 CD2 :: 25.029 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 :: 8.030 HA :: 4.053 HB2 :: 1.293 HB3 :: 1.364 HG :: 1.445 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 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 :: 120.314 Ave N Shift Values>> N :: 121.86(3.9) 1.Y148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 176.600 CA :: 58.807 CB :: 38.678 CD1 :: 133.477 CE1 :: 118.261 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 :: 8.169 HA :: 4.452 HB2 :: 2.791 HB3 :: 2.850 HD1 :: 7.089 HD2 :: 7.091 HE1 :: 6.813 HE2 :: 6.864 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 :: 120.551 Ave N Shift Values>> N :: 120.52(4.2) 1.G149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 HN Overlap>> 1.T145 1.T145 C Shift Assignments>> C :: 173.895 CA :: 45.169 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.096 HA2 :: 3.830 HA3 :: 4.257 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.613 Ave N Shift Values>> N :: 109.67(3.87) 1.E150 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.1 K 0.04 Q 0.04 I 0.02 HN Overlap>> 1.L147 1.Q89 1.L147 1.Q89 C Shift Assignments>> C :: 176.626 CA :: 56.669 CB :: 30.410 CG :: 36.378 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 :: 8.049 HA :: 4.320 HB2 :: 1.925 HB3 :: 3.088(S) HG2 :: 2.234 HG3 :: 2.264 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 :: 120.269 Ave N Shift Values>> N :: 120.67(3.48) 1.S151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.545 CA :: 58.421 CB :: 64.227 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.343 HA :: 4.452 HB2 :: 3.844 HB3 :: 4.283 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 :: 116.445 Ave N Shift Values>> N :: 116.28(3.52) 1.D152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.11 F 0.09 N 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.D83 1.R47 1.D83 1.R47 C Shift Assignments>> C :: 175.173 CA :: 54.430 CB :: 41.222 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 :: 8.430 HA :: 4.669 HB2 :: 2.592 HB3 :: 2.701 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 :: 123.165 Ave N Shift Values>> N :: 120.65(3.86) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.32 R 0.09 G 0.09 C Shift Assignments>> C :: 171.048 CA :: 56.755 CB :: 43.503 CG :: 27.181 CD1 :: 23.760 CD2 :: 25.360 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 :: 7.753 HA :: 4.153 HB2 :: 1.567 HB3 :: 1.567 HG :: 1.576 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.363 Ave N Shift Values>> N :: 121.86(3.9) 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 127 #Clerical: 0 #Suspicious: 19 #Anomalous: 5 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 151 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 150 #Suspicious: 3 C Shift Results: #Consistent: 638 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent:1021 #Duplicate: 0 #Unknown: 0 #Suspicious: 23 #Anomalous: 2 N Shift Results: #Consistent: 159 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 3 Error Summary: 1.G1 Typing: Mistyped 1.G1 CA = 50.262(S), Expected = 45.35, Std = 1.3400, ChiSquare = 2.4669e-04 1.E7 HB2 = 0.999(S), Expected = 2.02, Std = 0.2100, ChiSquare = 1.1626e-06 1.Q10 HB3 = 3.098(S), Expected = 2.02, Std = 0.2800, ChiSquare = 1.1812e-04 1.F16 HE2 = 8.710(S), Expected = 7.08, Std = 0.3200, ChiSquare = 3.5105e-07 1.H18 HD2 = 5.240(S), Expected = 7.00, Std = 0.4300, ChiSquare = 4.2578e-05 1.H18 ND1 = 114.037(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.2138e-05 1.H23 ND1 = 114.887(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.4967e-05 1.G25 H = 10.812(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.3429e-04 1.E30 HB2 = 1.263(S), Expected = 2.02, Std = 0.2100, ChiSquare = 3.1244e-04 1.K33 HE2 = 2.108(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.9227e-05 1.K33 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.C35 HA = 2.621(S), Expected = 4.66, Std = 0.5500, ChiSquare = 2.0950e-04 1.C35 HG = 0.136(A), Expected = 1.98, Std = 1.3800, ChiSquare = 1.8147e-01 1.L36 HG = 0.220(S), Expected = 1.51, Std = 0.3300, ChiSquare = 9.2644e-05 1.E52 HB2 = 0.834(S), Expected = 2.02, Std = 0.2100, ChiSquare = 1.6269e-08 1.S58 HB3 = 4.775(S), Expected = 3.85, Std = 0.2700, ChiSquare = 6.1271e-04 1.H64 ND1 = 114.620(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.4017e-05 1.S65 HB3 = 4.757(S), Expected = 3.85, Std = 0.2700, ChiSquare = 7.8152e-04 1.G66 H = 10.617(S), Expected = 8.33, Std = 0.6500, ChiSquare = 4.3406e-04 1.M77 Typing: Mistyped 1.M77 CE = 27.647(S), Expected = 17.07, Std = 1.5800, ChiSquare = 2.1670e-11 1.M77 HG2 = 1.260(S), Expected = 2.42, Std = 0.3500, ChiSquare = 9.1878e-04 1.S78 HB3 = 4.793(S), Expected = 3.85, Std = 0.2700, ChiSquare = 4.7836e-04 1.S93 HB3 = 4.780(S), Expected = 3.85, Std = 0.2700, ChiSquare = 5.7223e-04 1.F103 HB2 = 1.764(S), Expected = 3.00, Std = 0.3700, ChiSquare = 8.3615e-04 1.R124 HD2 = 2.236(S), Expected = 3.12, Std = 0.2400, ChiSquare = 2.3020e-04 1.R124 SRO Rule Break>> HD2 > HB3 : 0.995112016293279 1.G130 H = 6.101(S), Expected = 8.33, Std = 0.6500, ChiSquare = 6.0529e-04 1.V134 H = 5.739(S), Expected = 8.29, Std = 0.6700, ChiSquare = 1.4040e-04 1.K141 HD2 = 0.629(S), Expected = 1.61, Std = 0.2200, ChiSquare = 8.2308e-06 1.K141 HE2 = 2.132(S), Expected = 2.92, Std = 0.1900, ChiSquare = 3.3632e-05 1.F143 HD1 = 1.787(A), Expected = 7.06, Std = 0.3100, ChiSquare = 6.9620e-65 1.F143 SRO Rule Break>> HD1 > HA : 0.997590361445783 1.F143 SRO Rule Break>> HD1 > HB2 : 0.999027237354086 1.F143 SRO Rule Break>> HD1 > HB3 : 0.999510763209393 1.E150 HB3 = 3.088(S), Expected = 1.99, Std = 0.2300, ChiSquare = 1.8068e-06