Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 182.218(S) CA :: 45.278 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.574 HA2 :: 4.167 HA3 :: 4.167 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.581 Ave N Shift Values>> N :: 109.67(3.87) 1.S2 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.D53 1.D53 C Shift Assignments>> CA :: 56.058 CB :: 73.640(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.718 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 :: 120.242 Ave N Shift Values>> N :: 116.28(3.52) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.12 C 0.01 C Shift Assignments>> CA :: 52.796 CB :: 19.073 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.270 HA :: 4.255 HB1 :: 1.122 HB2 :: 1.122 HB3 :: 1.122 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.382 Ave N Shift Values>> N :: 123.23(3.54) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 C 0.15 W 0.14 Q 0.13 E 0.13 M 0.13 K 0.09 C Shift Assignments>> C :: 180.249 CA :: 55.247 CB :: 30.734 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 :: 8.369 HA :: 4.376 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 2.464 HG3 :: 2.464 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 :: 121.681 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.25 F 0.09 Y 0.09 L 0.08 C 0.08 C Shift Assignments>> C :: 180.338 CA :: 53.778 CB :: 39.425 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 :: 8.855 HA :: 5.295 HB2 :: 2.670 HB3 :: 2.670 HD21 :: 5.906 HD22 :: 7.815 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.011 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.45 HN Overlap>> 1.F65 1.F65 C Shift Assignments>> C :: 180.658 CA :: 58.746 CB :: 40.589 CG1 :: 28.373 CD1 :: 14.279 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.029 HA :: 4.442 HB :: 1.817 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 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 :: 126.410 Ave N Shift Values>> N :: 121.46(4.28) 1.T7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 182.475(S) CA :: 61.385 CB :: 69.377 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 :: 8.646 HA :: 4.934 HB :: 3.884 HG21 :: 0.961 HG22 :: 0.961 HG23 :: 0.961 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.534 Ave N Shift Values>> N :: 115.42(4.75) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 L 0.31 C 0.17 K 0.01 G 0.01 C Shift Assignments>> C :: 180.516 CA :: 49.905 CB :: 22.770 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.962 HA :: 4.524 HB1 :: 1.167 HB2 :: 1.167 HB3 :: 1.167 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.785 Ave N Shift Values>> N :: 123.23(3.54) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 G 0.13 K 0.04 C Shift Assignments>> CA :: 55.318 CB :: 31.026 CD :: 43.806 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 :: 8.253 HA :: 4.475 HB2 :: 1.604 HB3 :: 1.407 HG2 :: 1.295 HG3 :: 1.295 HD2 :: 3.071 HD3 :: 3.071 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 :: 121.142 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.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 179.374 CA :: 62.983 CB :: 37.678 CG1 :: 27.351 CG2 :: 17.040 CD1 :: 13.885 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 :: 8.033 HA :: 3.416 HB :: 1.475 HG12 :: 1.065 HG13 :: 1.065 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 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 :: 122.711 Ave N Shift Values>> N :: 121.46(4.28) 1.G11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 182.099(S) CA :: 44.963 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.422 HA2 :: 4.130 HA3 :: 3.294 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.163 Ave N Shift Values>> N :: 109.67(3.87) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 R 0.16 C 0.14 W 0.14 K 0.13 E 0.11 M 0.08 C Shift Assignments>> C :: 182.012 CA :: 54.326 CB :: 29.647 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 :: 7.584 HA :: 4.650 HB2 :: 1.887 HB3 :: 1.887 HG2 :: 2.114 HG3 :: 2.114 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 :: 120.916 Ave N Shift Values>> N :: 120.67(3.48) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.59 P 0.4 C Shift Assignments>> CA :: 61.936 CB :: 33.439 CG :: 27.743 CD :: 51.444 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 :: 4.622 HB2 :: 2.225 HB3 :: 2.225 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.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.08 HN Overlap>> 1.L44 1.L44 C Shift Assignments>> CA :: 54.384 CB :: 46.895 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 :: 8.555 HA :: 4.393 HB2 :: 1.267 HB3 :: 1.039 HG :: 1.780 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 0.885 HD22 :: 0.885 HD23 :: 0.885 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.239 Ave N Shift Values>> N :: 121.86(3.9) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 180.427 CA :: 60.757 CB :: 33.605 CG1 :: 22.827 CG2 :: 21.754 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.010 HA :: 4.852 HB :: 1.669 HG11 :: 1.144 HG12 :: 1.144 HG13 :: 1.144 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 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 :: 124.751 Ave N Shift Values>> N :: 121.14(4.54) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 G 0.28 C 0.12 A 0.04 C Shift Assignments>> CA :: 52.209 CB :: 43.912 CG :: 27.271 CD1 :: 23.413 CD2 :: 24.043 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 :: 8.847 HA :: 4.278 HB2 :: 1.548 HB3 :: 1.548 HD11 :: 0.991 HD12 :: 0.991 HD13 :: 0.991 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 :: 126.833 Ave N Shift Values>> N :: 121.86(3.9) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.49 C Shift Assignments>> C :: 177.595 CA :: 56.872 CB :: 34.070 CG :: 25.224 CD :: 28.294 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 :: 8.240 HA :: 4.814 HB2 :: 1.681 HB3 :: 1.681 HG2 :: 1.386 HG3 :: 1.386 HE2 :: 3.208 HE3 :: 3.208 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 :: 122.534 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 G 0.29 C 0.16 F 0.03 Y 0.01 C Shift Assignments>> CA :: 66.588 CB :: 42.274 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.882 HA :: 4.489 HB2 :: 2.277 HB3 :: 2.079 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 127.085 Ave N Shift Values>> N :: 120.17(4.64) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.43 C Shift Assignments>> C :: 174.655 CA :: 58.753 CB :: 30.811 CG :: 24.830 CD :: 29.161 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 :: 8.123 HA :: 4.590 HB2 :: 1.826 HB3 :: 1.826 HG2 :: 1.401 HG3 :: 1.401 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 2.949 HE3 :: 2.949 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 :: 126.461 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G20 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 182.286(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.430 HA2 :: 3.851 HA3 :: 3.490 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.992 Ave N Shift Values>> N :: 109.67(3.87) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.05 C Shift Assignments>> C :: 179.946 CA :: 49.916 CB :: 18.331 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.366 HA :: 4.315 HB1 :: 1.210 HB2 :: 1.210 HB3 :: 1.210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.552 Ave N Shift Values>> N :: 123.23(3.54) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.4 P 0.38 C 0.15 W 0.02 C Shift Assignments>> C :: 179.442 CA :: 63.079 CB :: 32.363 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 :: 4.376 HB2 :: 1.945 HB3 :: 1.945 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.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.49 C Shift Assignments>> C :: 180.160 CA :: 57.732 CB :: 32.906 CG :: 24.830 CD :: 29.161 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 :: 8.279 HA :: 4.081 HB2 :: 1.826 HB3 :: 1.826 HG2 :: 1.395 HG3 :: 1.395 HD2 :: 1.661 HD3 :: 1.661 HE2 :: 2.904 HE3 :: 2.904 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 :: 119.560 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.44 C Shift Assignments>> C :: 182.564 CA :: 52.926 CB :: 33.682 CG :: 25.066 CD :: 30.027 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 :: 7.281 HA :: 4.285 HB2 :: 1.780 HB3 :: 1.780 HD2 :: 1.674 HD3 :: 1.674 HE2 :: 2.934 HE3 :: 2.934 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 :: 116.784 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.K42 1.K42 H Shift Assignments>> H :: 9.109 HA :: 4.458 HB2 :: 1.719 HB3 :: 1.719 HG2 :: 1.598 HG3 :: 1.598 HD2 :: 3.253 HD3 :: 3.253 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 :: 125.840 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.L29 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.2 A 0.12 C Shift Assignments>> CA :: 54.323 CB :: 45.484 CG :: 22.262(S) CD1 :: 26.301 CD2 :: 25.302 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 :: 7.799 HA :: 4.590 HB2 :: 1.556 HB3 :: 1.556 HG :: 1.997 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.991 HD22 :: 0.991 HD23 :: 0.991 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 :: 121.383 Ave N Shift Values>> N :: 121.86(3.9) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 R 0.16 C 0.15 W 0.14 K 0.12 E 0.12 M 0.08 C Shift Assignments>> CA :: 54.323 CB :: 29.757 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 :: 7.994 HA :: 4.164 HB2 :: 2.054 HB3 :: 2.054 HG2 :: 2.297 HG3 :: 2.297 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 :: 121.472 Ave N Shift Values>> N :: 120.67(3.48) 1.W31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 C 0.39 C Shift Assignments>> C :: 180.676 CA :: 55.066 CB :: 32.291 CG :: 24.830 CD :: 28.924 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.738 HA :: 4.543 HB2 :: 1.328 HB3 :: 1.328 HG2 :: 1.006 HD2 :: 1.765 HD3 :: 1.765 HE2 :: 2.889 HE3 :: 2.889 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 :: 120.067 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.2 G 0.13 A 0.04 R 0.01 C Shift Assignments>> CA :: 54.323 CB :: 43.680 CG :: 27.035 CD1 :: 24.436 CD2 :: 23.169 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 :: 9.195 HA :: 5.164 HB2 :: 1.066 HB3 :: 1.066 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 HD21 :: 0.330 HD22 :: 0.330 HD23 :: 0.330 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 :: 121.803 Ave N Shift Values>> N :: 121.86(3.9) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.19 M 0.07 E 0.06 Y 0.04 F 0.03 D 0.02 K 0.01 C Shift Assignments>> C :: 180.213 CA :: 52.416 CB :: 36.786 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 :: 8.194 HA :: 4.240 HB2 :: 2.585 HB3 :: 2.585 HD21 :: 6.890 HD22 :: 7.072 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.192 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 180.071 CA :: 59.212 CB :: 72.326 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 :: 8.104 HA :: 4.983 HB :: 2.047(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.747 Ave N Shift Values>> N :: 115.42(4.75) 1.G36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 HN Overlap>> 1.G48 1.G48 C Shift Assignments>> C :: 180.215(S) CA :: 47.260 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.983 HA2 :: 3.933 HA3 :: 3.933 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.825 Ave N Shift Values>> N :: 109.67(3.87) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.42 K 0.1 G 0.04 C Shift Assignments>> C :: 178.788 CA :: 57.505 CB :: 31.898 CG :: 27.077 CD :: 43.097 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 :: 8.076 HA :: 4.093 HB2 :: 1.387 HB3 :: 1.387 HG2 :: 1.737 HG3 :: 1.737 HD2 :: 2.949 HD3 :: 2.949 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 :: 117.907 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.T38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 181.098(S) CA :: 61.725 CB :: 70.314 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 :: 7.463 HA :: 4.426 HB :: 4.224 HG21 :: 1.507 HG22 :: 1.507 HG23 :: 1.507 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 :: 108.611 Ave N Shift Values>> N :: 115.42(4.75) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.25 K 0.23 E 0.15 M 0.03 I 0.02 R 0.02 HN Overlap>> 1.Y98 1.Y98 C Shift Assignments>> C :: 180.410 CA :: 57.859 CB :: 29.182 CG :: 34.436 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 :: 8.580 HA :: 4.015 HB2 :: 1.932 HB3 :: 1.932 HG2 :: 2.190 HG3 :: 2.190 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 :: 120.194 Ave N Shift Values>> N :: 120.67(3.48) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.03 C 0.02 L 0.01 C Shift Assignments>> C :: 179.162 CA :: 51.608 CB :: 20.054 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.734 HA :: 3.999 HB1 :: 1.345 HB2 :: 1.345 HB3 :: 1.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.043 Ave N Shift Values>> N :: 123.23(3.54) 1.W41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 C 0.17 E 0.16 R 0.13 Q 0.12 K 0.11 M 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 178.895 CA :: 58.281 CB :: 29.823 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.836 HA :: 4.557 HB2 :: 2.984 HB3 :: 2.810 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.285 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.44 A 0.01 HN Overlap>> 1.R28 1.R28 C Shift Assignments>> C :: 180.908 CA :: 54.579 CB :: 34.870 CG :: 24.322 CD :: 28.924 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.214 HA :: 4.590 HB2 :: 1.472 HB3 :: 1.472 HG2 :: 1.364 HG3 :: 1.364 HD2 :: 1.902 HD3 :: 1.902 HE2 :: 2.828 HE3 :: 2.828 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 :: 125.849 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 179.554 CA :: 62.006 CB :: 32.643 CG1 :: 21.050 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 :: 8.344 HA :: 4.606 HB :: 2.158 HG11 :: 0.839 HG12 :: 0.839 HG13 :: 0.839 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 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 :: 124.313 Ave N Shift Values>> N :: 121.14(4.54) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.19 K 0.14 R 0.03 G 0.01 HN Overlap>> 1.L14 1.L14 C Shift Assignments>> C :: 178.913 CA :: 54.379 CB :: 42.451 CG :: 26.873 CD1 :: 25.059 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 :: 8.523 HA :: 4.524 HB2 :: 1.423 HB3 :: 1.423 HG :: 1.590 HD11 :: 1.099 HD12 :: 1.099 HD13 :: 1.099 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.206 Ave N Shift Values>> N :: 121.86(3.9) 1.S45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 181.717(S) CA :: 55.886 CB :: 64.530 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.712 HA :: 4.953 HB2 :: 3.872 HB3 :: 3.872 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 :: 118.360 Ave N Shift Values>> N :: 116.28(3.52) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.16 C Shift Assignments>> C :: 178.695 CA :: 64.638 CB :: 31.898 CG :: 27.665 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 :: 4.311 HB2 :: 2.375 HB3 :: 2.014 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.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.25 K 0.24 E 0.14 M 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 179.055 CA :: 56.809 CB :: 29.157 CG :: 34.357 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 :: 8.176 HA :: 4.270 HB2 :: 2.034 HB3 :: 2.034 HG2 :: 2.297 HG3 :: 2.297 HE21 :: 7.466 HE22 :: 6.815 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 :: 116.933 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 HN Overlap>> 1.G36 1.G36 C Shift Assignments>> C :: 181.200(S) CA :: 45.669 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.009 HA2 :: 4.015 HA3 :: 4.015 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.903 Ave N Shift Values>> N :: 109.67(3.87) 1.G49 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 181.183(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.061 HA2 :: 4.005 HA3 :: 4.005 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.474 Ave N Shift Values>> N :: 109.67(3.87) 1.G50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 180.911(S) CA :: 45.160 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.001 HA2 :: 3.983 HA3 :: 3.983 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.287 Ave N Shift Values>> N :: 109.67(3.87) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.44 V 0.4 C 0.1 I 0.02 W 0.01 C Shift Assignments>> C :: 177.388 CA :: 64.638 CB :: 31.610 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 :: 4.179 HB2 :: 2.063 HB3 :: 1.369 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.W52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.15 K 0.14 Q 0.12 E 0.12 I 0.11 R 0.09 L 0.02 M 0.01 C Shift Assignments>> C :: 178.913 CA :: 58.686 CB :: 28.435 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.474 HA :: 4.393 HB2 :: 3.409 HB3 :: 3.150 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.198 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.22 Y 0.16 L 0.1 I 0.09 N 0.07 C 0.05 K 0.03 HN Overlap>> 1.S2 1.S2 C Shift Assignments>> C :: 179.216 CB :: 40.589 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 :: 7.734 HA :: 4.328 HB2 :: 2.645 HB3 :: 2.519 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 :: 120.269 Ave N Shift Values>> N :: 120.65(3.86) 1.S54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 181.590(S) CA :: 59.705 CB :: 63.402 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.758 HA :: 4.179 HB2 :: 3.736 HB3 :: 3.736 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 :: 110.519 Ave N Shift Values>> N :: 116.28(3.52) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 180.908 CA :: 63.429 CB :: 33.605 CG1 :: 21.365 CG2 :: 20.735 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 :: 7.805 HA :: 4.343 HB :: 1.915 HG11 :: 0.854 HG12 :: 0.854 HG13 :: 0.854 HG21 :: 0.854 HG22 :: 0.854 HG23 :: 0.854 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.941 Ave N Shift Values>> N :: 121.14(4.54) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.04 C 0.02 L 0.01 C Shift Assignments>> C :: 181.406 CA :: 51.875 CB :: 19.794 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.195 HA :: 4.718 HB1 :: 1.044 HB2 :: 1.044 HB3 :: 1.044 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.796 Ave N Shift Values>> N :: 123.23(3.54) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.33 R 0.2 G 0.07 C Shift Assignments>> C :: 181.780 CA :: 54.071 CB :: 34.070 CG :: 28.350 CD :: 42.982 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 :: 8.854 HA :: 4.606 HB2 :: 1.751 HB3 :: 1.751 HG2 :: 1.358 HG3 :: 1.358 HD2 :: 3.091 HD3 :: 3.091 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 :: 118.535 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.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.29 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> C :: 178.859 CA :: 62.727 CB :: 31.898 CG1 :: 21.752 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 :: 8.594 HA :: 4.229 HB :: 1.833 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 0.964 HG22 :: 0.964 HG23 :: 0.964 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.786 Ave N Shift Values>> N :: 121.14(4.54) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 A 0.06 C Shift Assignments>> C :: 178.895 CA :: 54.012 CB :: 38.995 CG :: 26.038 CD1 :: 24.279 CD2 :: 23.334 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 :: 9.275 HA :: 4.255 HB2 :: 1.731 HB3 :: 1.731 HG :: 1.506 HD11 :: 1.037 HD12 :: 1.037 HD13 :: 1.037 HD21 :: 0.961 HD22 :: 0.961 HD23 :: 0.961 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 :: 129.460 Ave N Shift Values>> N :: 121.86(3.9) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.3 T 0.2 S 0.19 I 0.14 P 0.11 C 0.02 C Shift Assignments>> C :: 179.442 CA :: 65.933 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 :: 4.270 HB2 :: 2.299 HB3 :: 1.843 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.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 C 0.13 D 0.05 Y 0.04 F 0.03 M 0.02 E 0.02 L 0.01 C Shift Assignments>> C :: 179.570 CA :: 52.242 CB :: 37.532 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.248 HA :: 4.461 HB2 :: 3.146 HB3 :: 2.661 HD21 :: 6.496 HD22 :: 7.360 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 :: 109.938 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 182.796(S) CA :: 45.530 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.504 HA2 :: 4.103 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 :: 108.629 Ave N Shift Values>> N :: 109.67(3.87) 1.S63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 184.665(S) CA :: 59.488 CB :: 63.484 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.691 HA :: 4.754 HB2 :: 3.611 HB3 :: 3.611 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 :: 115.130 Ave N Shift Values>> N :: 116.28(3.52) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.18 A 0.02 HN Overlap>> 1.V58 1.V58 C Shift Assignments>> CA :: 53.611 CB :: 41.752 CG :: 25.611 CD1 :: 24.357 CD2 :: 23.806 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 :: 8.676 HA :: 4.149 HB2 :: 1.947 HB3 :: 1.947 HG :: 1.441 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 1.006 HD22 :: 1.006 HD23 :: 1.006 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 :: 123.759 Ave N Shift Values>> N :: 121.86(3.9) 1.F65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.25 K 0.15 R 0.09 F 0.06 C 0.04 Y 0.04 N 0.04 HN Overlap>> 1.I6 1.I6 C Shift Assignments>> C :: 182.528(S) CA :: 54.231 CB :: 42.136 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 :: 8.960 HA :: 5.262 HB2 :: 2.801 HB3 :: 2.612 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.342 Ave N Shift Values>> N :: 120.45(4.18) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.33 A 0.06 C Shift Assignments>> CA :: 52.175 CB :: 38.464 CG :: 26.001 CD1 :: 24.672 CD2 :: 23.964 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 :: 8.755 HA :: 4.437 HB2 :: 1.524 HB3 :: 1.524 HG :: 1.354 HD11 :: 1.021 HD12 :: 1.021 HD13 :: 1.021 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 130.155 Ave N Shift Values>> N :: 121.86(3.9) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.45 V 0.38 C 0.11 W 0.01 I 0.01 C Shift Assignments>> C :: 179.136 CA :: 63.830 CB :: 31.922 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.338 HB2 :: 1.932 HB3 :: 1.424 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.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 180.587 CA :: 51.855 CB :: 19.171 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.440 HA :: 3.517 HB1 :: 0.898 HB2 :: 0.898 HB3 :: 0.898 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.300 Ave N Shift Values>> N :: 123.23(3.54) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 179.501 CA :: 64.178 CB :: 32.208 CG1 :: 21.431 CG2 :: 20.893 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 :: 7.993 HA :: 3.593 HB :: 1.901 HG11 :: 1.166 HG12 :: 1.166 HG13 :: 1.166 HG21 :: 1.249 HG22 :: 1.249 HG23 :: 1.249 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.447 Ave N Shift Values>> N :: 121.14(4.54) 1.G70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.28 D 0.06 G 0.05 F 0.05 K 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 181.353(S) CA :: 43.282 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.822 HA2 :: 3.997 HA3 :: 3.997 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.929 Ave N Shift Values>> N :: 109.67(3.87) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.839 CA :: 64.256 CB :: 38.493 CG1 :: 27.507 CG2 :: 17.350 CD1 :: 14.128 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 :: 8.566 HA :: 3.696 HB :: 1.681 HG12 :: 1.401 HG13 :: 0.333 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 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 :: 118.740 Ave N Shift Values>> N :: 121.46(4.28) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.24 E 0.1 R 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 180.690 CA :: 57.604 CB :: 28.438 CG :: 34.279 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 :: 8.640 HA :: 4.174 HB2 :: 2.188 HB3 :: 2.188 HG2 :: 2.327 HG3 :: 2.327 HE21 :: 7.466 HE22 :: 7.027 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 :: 116.978 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.21 D 0.18 F 0.12 Y 0.09 C 0.06 R 0.05 N 0.02 C Shift Assignments>> C :: 182.643(S) CA :: 55.949 CB :: 41.675 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 :: 7.746 HA :: 4.573 HB2 :: 2.728 HB3 :: 2.588 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.362 Ave N Shift Values>> N :: 120.65(3.86) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.4 M 0.1 I 0.04 K 0.02 Q 0.02 C Shift Assignments>> C :: 178.212 CA :: 57.651 CB :: 30.734 CG :: 36.641 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 :: 6.614 HA :: 3.975 HB2 :: 2.063 HB3 :: 1.872 HG2 :: 2.464 HG3 :: 2.464 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 :: 113.012 Ave N Shift Values>> N :: 120.67(3.48) 1.G75 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 184.569(A) CA :: 45.160 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.166 HA2 :: 4.524 HA3 :: 3.720 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.613 Ave N Shift Values>> N :: 109.67(3.87) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.37 A 0.02 C Shift Assignments>> C :: 181.513 CA :: 58.514 CB :: 40.511 CG1 :: 25.400 CG2 :: 19.318 CD1 :: 13.064 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.829 HA :: 5.244 HB :: 1.553 HG12 :: 0.978 HG13 :: 0.978 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 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 :: 120.633 Ave N Shift Values>> N :: 121.46(4.28) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.26 F 0.08 K 0.07 D 0.06 C 0.06 Y 0.05 G 0.04 C Shift Assignments>> CA :: 56.750 CB :: 43.304 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 :: 9.053 HA :: 4.802 HB2 :: 2.904 HB3 :: 2.904 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 :: 124.180 Ave N Shift Values>> N :: 120.45(4.18) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.33 R 0.26 G 0.01 C Shift Assignments>> CA :: 55.838 CB :: 31.898 CG :: 28.767 CD :: 42.524 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.882 HA :: 4.836 HB2 :: 1.768 HB3 :: 1.768 HG2 :: 1.355 HG3 :: 1.355 HD2 :: 2.965 HD3 :: 2.965 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 :: 123.423 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.C79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 C 0.21 F 0.18 Y 0.11 G 0.11 R 0.07 K 0.04 C Shift Assignments>> C :: 179.287 CA :: 62.728 CB :: 42.731 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.875 HA :: 4.877 HB2 :: 2.812 HB3 :: 2.812 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 :: 120.601 Ave N Shift Values>> N :: 120.17(4.64) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 K 0.23 C 0.2 R 0.11 W 0.06 E 0.04 Q 0.02 V 0.01 C Shift Assignments>> CA :: 55.548 CB :: 32.984 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 :: 8.665 HA :: 4.294 HB2 :: 1.899 HB3 :: 1.899 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 :: 128.089 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.04 C 0.02 L 0.01 C Shift Assignments>> C :: 178.681 CA :: 51.875 CB :: 19.787 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.369 HA :: 4.934 HB1 :: 1.056 HB2 :: 1.056 HB3 :: 1.056 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.820 Ave N Shift Values>> N :: 123.23(3.54) 1.M82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.28 Q 0.17 E 0.04 C Shift Assignments>> C :: 179.112 CA :: 54.228 CB :: 33.915 CG :: 32.104 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 :: 8.043 HA :: 4.786 HB2 :: 1.798 HB3 :: 1.798 HG2 :: 2.957 HG3 :: 2.957 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 :: 119.807 Ave N Shift Values>> N :: 120.09(3.57) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.15 C 0.08 F 0.03 Y 0.03 L 0.03 C Shift Assignments>> C :: 178.521 CA :: 51.530 CB :: 38.881 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 :: 8.399 HA :: 4.741 HB2 :: 2.858 HB3 :: 2.858 HD21 :: 6.951 HD22 :: 7.572 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.813 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.18 C 0.08 F 0.06 Y 0.06 L 0.04 C Shift Assignments>> C :: 180.376 CA :: 53.021 CB :: 38.881 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.935 HA :: 4.652 HB2 :: 2.857 HB3 :: 2.607 HD21 :: 6.754 HD22 :: 7.360 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 :: 115.594 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 182.286(S) CA :: 45.597 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.950 HA2 :: 3.617 HA3 :: 3.617 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.672 Ave N Shift Values>> N :: 109.67(3.87) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 K 0.2 C Shift Assignments>> C :: 179.536 CA :: 55.863 CB :: 33.527 CG :: 24.453 CD :: 30.070 CE :: 39.919 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 :: 7.664 HA :: 4.294 HB2 :: 1.555 HB3 :: 1.555 HG2 :: 1.325 HG3 :: 1.325 HD2 :: 1.629 HD3 :: 1.629 HE2 :: 2.889 HE3 :: 2.889 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 :: 119.544 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.17 C 0.16 R 0.16 W 0.11 E 0.09 Q 0.06 V 0.01 C Shift Assignments>> C :: 179.305 CA :: 56.019 CB :: 31.898 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 :: 8.632 HA :: 4.672 HB2 :: 1.686 HB3 :: 1.686 HG2 :: 2.008 HG3 :: 2.008 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 :: 125.549 Ave N Shift Values>> N :: 120.67(3.48) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 179.661 CA :: 61.169 CB :: 69.228 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.372 HA :: 4.437 HB :: 4.159 HG21 :: 1.234 HG22 :: 1.234 HG23 :: 1.234 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 :: 121.868 Ave N Shift Values>> N :: 115.42(4.75) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.33 R 0.18 C Shift Assignments>> CA :: 55.459 CB :: 32.625 CG :: 24.672 CD :: 28.531 CE :: 42.074 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 :: 8.681 HA :: 4.754 HB2 :: 1.801 HB3 :: 1.801 HG2 :: 1.325 HG3 :: 1.325 HD2 :: 1.872 HD3 :: 1.598 HE2 :: 2.889 HE3 :: 2.889 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 :: 125.963 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 181.567(S) CA :: 57.117 CB :: 64.210 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.518 HA :: 4.655 HB2 :: 3.753 HB3 :: 3.753 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 :: 120.382 Ave N Shift Values>> N :: 116.28(3.52) 1.N92 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.26 R 0.14 K 0.09 C 0.04 F 0.04 N 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 182.065(A) CA :: 53.180 CB :: 42.611 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 :: 8.579 HA :: 5.361 HB2 :: 2.489 HB3 :: 2.489 HD21 :: 6.936 HD22 :: 7.406 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.689 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.11 K 0.1 W 0.1 R 0.09 Q 0.08 C 0.08 F 0.08 Y 0.08 M 0.07 S 0.05 L 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 181.157 CA :: 57.222 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.583 HA :: 5.410 HB2 :: 3.080 HB3 :: 3.080 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 :: 122.028 Ave N Shift Values>> N :: 120.52(4.2) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.33 K 0.08 G 0.07 C Shift Assignments>> C :: 180.712 CA :: 55.114 CB :: 31.354 CG :: 27.415 CD :: 43.338 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 :: 8.892 HA :: 5.098 HB2 :: 1.965 HB3 :: 1.522 HG2 :: 1.401 HG3 :: 1.710 HD2 :: 3.101 HD3 :: 3.101 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 :: 124.484 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.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.32 C Shift Assignments>> C :: 179.910 CA :: 62.493 CB :: 33.993 CG1 :: 20.980 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.226 HA :: 4.639 HB :: 2.112 HG11 :: 0.458 HG12 :: 0.458 HG13 :: 0.458 HG21 :: 0.458 HG22 :: 0.458 HG23 :: 0.458 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 :: 128.773 Ave N Shift Values>> N :: 121.14(4.54) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.32 K 0.28 G 0.01 C Shift Assignments>> C :: 181.086 CA :: 54.279 CB :: 32.906 CG :: 27.139 CD :: 42.117 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 :: 8.792 HA :: 4.655 HB2 :: 1.686 HB3 :: 1.686 HG2 :: 1.431 HG3 :: 1.431 HD2 :: 2.964 HD3 :: 2.964 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 :: 128.436 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.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 179.629 CA :: 60.846 CB :: 32.972 CG1 :: 20.871 CG2 :: 20.302 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.372 HA :: 4.754 HB :: 1.784 HG11 :: 0.839 HG12 :: 0.839 HG13 :: 0.839 HG21 :: 1.143 HG22 :: 1.143 HG23 :: 1.143 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 :: 122.021 Ave N Shift Values>> N :: 121.14(4.54) 1.Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.11 W 0.1 K 0.09 R 0.09 F 0.09 C 0.09 Y 0.08 Q 0.08 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 HN Overlap>> 1.E39 1.E39 C Shift Assignments>> C :: 181.555 CA :: 57.342 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 :: 8.515 HA :: 4.458 HB2 :: 3.572 HB3 :: 3.572 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 :: 120.266 Ave N Shift Values>> N :: 120.52(4.2) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 R 0.15 W 0.15 E 0.14 K 0.14 C 0.13 M 0.06 C Shift Assignments>> C :: 180.138 CA :: 55.758 CB :: 29.647 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 :: 8.522 HA :: 4.261 HB2 :: 2.063 HB3 :: 1.768 HG2 :: 2.312 HG3 :: 2.312 HE21 :: 7.315 HE22 :: 6.845 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 :: 122.414 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 181.174 CA :: 59.259 CB :: 38.416 CG1 :: 27.295 CG2 :: 17.534 CD1 :: 13.040 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 :: 8.169 HA :: 4.270 HB :: 1.720 HG12 :: 1.386 HG13 :: 0.832 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 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 :: 122.711 Ave N Shift Values>> N :: 121.46(4.28) 1.P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.42 V 0.41 C 0.12 W 0.01 C Shift Assignments>> C :: 178.339 CA :: 63.620 CB :: 32.282 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 :: 4.240 HB2 :: 2.151 HB3 :: 1.798 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.G102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 182.083(S) CA :: 45.033 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.370 HA2 :: 3.786 HA3 :: 3.786 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.441 Ave N Shift Values>> N :: 109.67(3.87) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 C 0.18 K 0.18 Q 0.16 R 0.09 W 0.05 E 0.03 C Shift Assignments>> C :: 180.854 CA :: 54.326 CB :: 32.984 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 :: 7.948 HA :: 4.468 HB2 :: 1.598 HB3 :: 1.598 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 :: 122.292 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.44 V 0.37 C 0.12 W 0.02 I 0.01 C Shift Assignments>> C :: 179.595 CA :: 63.629 CB :: 31.898 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 :: 4.294 HB2 :: 2.129 HB3 :: 1.833 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.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.15 R 0.14 E 0.12 K 0.12 M 0.11 Q 0.06 V 0.05 C Shift Assignments>> C :: 174.460 CA :: 58.319 CB :: 31.459 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 :: 7.937 HA :: 3.967 HB2 :: 1.762 HB3 :: 1.762 HG2 :: 2.190 HG3 :: 2.190 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 :: 126.247 Ave N Shift Values>> N :: 120.67(3.48) 2.IOR1 Overall Status: Residue type IOR not supported. ########################################################################### Overall Results: #Consistent: 81 #Clerical: 0 #Suspicious: 21 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 95 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 105 #Suspicious: 0 C Shift Results: #Consistent: 322 #Duplicate: 0 #Unknown: 0 #Suspicious: 21 #Anomalous: 2 H Shift Results: #Consistent: 612 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 92 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G1 C = 182.218(S), Expected = 173.87, Std = 1.8800, ChiSquare = 8.9781e-06 1.S2 Typing: Mistyped 1.S2 CB = 73.640(S), Expected = 63.80, Std = 1.4800, ChiSquare = 2.9580e-11 1.T7 C = 182.475(S), Expected = 174.54, Std = 1.7600, ChiSquare = 6.5281e-06 1.G11 C = 182.099(S), Expected = 173.87, Std = 1.8800, ChiSquare = 1.2025e-05 1.G20 C = 182.286(S), Expected = 173.87, Std = 1.8800, ChiSquare = 7.5843e-06 1.L29 Typing: Suspicious 1.L29 CG = 22.262(S), Expected = 26.78, Std = 1.1000, ChiSquare = 4.0036e-05 1.T35 HB = 2.047(S), Expected = 4.17, Std = 0.3300, ChiSquare = 1.2484e-10 1.G36 C = 180.215(S), Expected = 173.87, Std = 1.8800, ChiSquare = 7.3816e-04 1.T38 C = 181.098(S), Expected = 174.54, Std = 1.7600, ChiSquare = 1.9444e-04 1.S45 C = 181.717(S), Expected = 174.62, Std = 1.7200, ChiSquare = 3.6887e-05 1.G48 C = 181.200(S), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6616e-05 1.G49 C = 181.183(S), Expected = 173.87, Std = 1.8800, ChiSquare = 1.0029e-04 1.G50 C = 180.911(S), Expected = 173.87, Std = 1.8800, ChiSquare = 1.8024e-04 1.S54 C = 181.590(S), Expected = 174.62, Std = 1.7200, ChiSquare = 5.0711e-05 1.G62 C = 182.796(S), Expected = 173.87, Std = 1.8800, ChiSquare = 2.0557e-06 1.S63 C = 184.665(S), Expected = 174.62, Std = 1.7200, ChiSquare = 5.2164e-09 1.F65 C = 182.528(S), Expected = 175.42, Std = 1.9900, ChiSquare = 3.5446e-04 1.G70 C = 181.353(S), Expected = 173.87, Std = 1.8800, ChiSquare = 6.8823e-05 1.D73 C = 182.643(S), Expected = 176.40, Std = 1.7500, ChiSquare = 3.6050e-04 1.G75 C = 184.569(A), Expected = 173.87, Std = 1.8800, ChiSquare = 1.2633e-08 1.G86 C = 182.286(S), Expected = 173.87, Std = 1.8800, ChiSquare = 7.5843e-06 1.S91 C = 181.567(S), Expected = 174.62, Std = 1.7200, ChiSquare = 5.3690e-05 1.N92 C = 182.065(A), Expected = 175.27, Std = 1.7900, ChiSquare = 1.4700e-04 1.G102 C = 182.083(S), Expected = 173.87, Std = 1.8800, ChiSquare = 1.2504e-05