Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.28 M 0.26 C 0.24 K 0.1 E 0.09 C Shift Assignments>> C :: 179.754 CA :: 55.224 CB :: 34.110 CG :: 30.718 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>> HA :: 4.013 HB2 :: 2.056 HB3 :: 1.945 HG2 :: 2.320 HG3 :: 2.414 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) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.35 R 0.15 C Shift Assignments>> C :: 178.616 CA :: 55.470 CB :: 34.485 CG :: 25.356 CD :: 28.931 CE :: 42.160 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 :: 8.440 HA :: 4.582 HB2 :: 1.828 HB3 :: 1.562 HG2 :: 1.497 HG3 :: 1.581 HD2 :: 1.655 HD3 :: 1.503 HE2 :: 2.994 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.318 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.39 R 0.06 C Shift Assignments>> C :: 177.360 CA :: 55.850 CB :: 33.840 CG :: 25.096 CD :: 28.700 CE :: 41.727 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 :: 9.799 HA :: 5.081 HB2 :: 1.721 HB3 :: 1.721 HG2 :: 1.497 HG3 :: 1.309 HD2 :: 1.501 HD3 :: 1.501 HE2 :: 2.752 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.564 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.48 C Shift Assignments>> C :: 180.497 CA :: 60.378 CB :: 34.753 CG1 :: 21.232 CG2 :: 20.690 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 :: 9.081 HA :: 5.010 HB :: 1.777 HG11 :: 0.671 HG12 :: 0.671 HG13 :: 0.671 HG21 :: 0.035 HG22 :: 0.035 HG23 :: 0.035 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 :: 126.282 Ave N Shift Values>> N :: 121.14(4.54) 1.M5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.37 C 0.16 C Shift Assignments>> C :: 179.658 CA :: 51.980 CB :: 33.270 CG :: 31.756 CE :: 16.707 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 :: 8.702 HA :: 4.861 HB2 :: 0.983 HB3 :: 1.556 HG2 :: 1.716 HG3 :: 1.511 HE1 :: 0.609 HE2 :: 0.609 HE3 :: 0.609 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 :: 125.603 Ave N Shift Values>> N :: 120.09(3.57) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.25 C 0.17 HN Overlap>> 1.E51 1.E51 C Shift Assignments>> C :: 179.066 CA :: 56.480 CB :: 41.650 CD1 :: 131.620 CE1 :: 130.685 CZ :: 127.960 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 :: 8.270 HA :: 5.225 HB2 :: 2.589 HB3 :: 2.469 HD1 :: 6.771 HE1 :: 6.918 HZ :: 6.846 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 :: 124.757 Ave N Shift Values>> N :: 120.45(4.18) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.42 HN Overlap>> 1.A22 1.A22 C Shift Assignments>> C :: 177.691 CA :: 59.990 CB :: 34.870 CG1 :: 20.592 CG2 :: 20.748 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 :: 9.257 HA :: 5.082 HB :: 1.543 HG11 :: 0.699 HG12 :: 0.699 HG13 :: 0.699 HG21 :: 0.318 HG22 :: 0.318 HG23 :: 0.318 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 :: 121.955 Ave N Shift Values>> N :: 121.14(4.54) 1.S8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 181.225(S) CA :: 57.580 CB :: 63.622 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.761 HA :: 5.087 HB2 :: 3.251 HB3 :: 3.678 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 :: 119.968 Ave N Shift Values>> N :: 116.28(3.52) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.37 R 0.09 C Shift Assignments>> C :: 175.564 CA :: 60.924 CB :: 32.940 CG :: 25.837 CD :: 29.338 CE :: 41.957 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 :: 8.992 HA :: 4.175 HB2 :: 1.911 HB3 :: 2.126 HG2 :: 1.541 HG3 :: 1.413 HD2 :: 1.828 HD3 :: 1.682 HE2 :: 2.995 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 :: 121.488 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.31 K 0.1 G 0.08 C Shift Assignments>> C :: 177.727 CA :: 54.720 CB :: 30.831 CG :: 28.034 CD :: 43.370 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 :: 8.240 HA :: 4.967 HB2 :: 1.952 HB3 :: 1.782 HG3 :: 1.522 HD2 :: 3.262 HD3 :: 3.175 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 :: 113.427 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.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.16 C 0.1 Y 0.1 F 0.09 L 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 179.330 CA :: 53.869 CB :: 38.680 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 :: 7.552 HA :: 3.776 HB2 :: 3.017 HB3 :: 2.096 HD21 :: 7.784 HD22 :: 7.697 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 :: 115.702 ND2 :: 107.887 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 S 0.38 C Shift Assignments>> C :: 178.054 CA :: 59.120 CB :: 67.090 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.100 HA :: 5.226 HB2 :: 4.102 HB3 :: 4.058 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.130 Ave N Shift Values>> N :: 116.28(3.52) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> CA :: 60.680 CB :: 65.430 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.285 HA :: 4.326 HB2 :: 3.804 HB3 :: 3.924 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 :: 115.968 Ave N Shift Values>> N :: 116.28(3.52) 1.R14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 59.761 CB :: 63.169 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 3.872 HB2 :: 3.947 HB3 :: 3.765 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.Q16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.43 C 0.42 K 0.1 M 0.01 Q 0.01 C Shift Assignments>> C :: 174.291 CA :: 57.672 CB :: 26.816 CG :: 30.778 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 :: 6.139(S) HA :: 4.138 HB2 :: 2.043 HB3 :: 1.497 HG2 :: 2.234 HG3 :: 1.652 HE21 :: 6.455 HE22 :: 6.266 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 :: 121.248 NE2 :: 107.418 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 M 0.22 HN Overlap>> 1.S34 1.S34 C Shift Assignments>> C :: 176.788 CA :: 60.290 CB :: 32.966 CG :: 33.720 CE :: 16.965 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 :: 8.359 HA :: 3.854 HB2 :: 2.361 HB3 :: 3.017 HG2 :: 2.086 HG3 :: 2.327 HE1 :: 2.081 HE2 :: 2.081 HE3 :: 2.081 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 :: 118.091 Ave N Shift Values>> N :: 120.09(3.57) 1.A18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.78 A 0.12 I 0.06 C 0.01 C Shift Assignments>> C :: 176.430 CA :: 55.950 CB :: 16.517 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.490 HA :: 3.588 HB1 :: 0.342(S) HB2 :: 0.342(S) HB3 :: 0.342(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.371 Ave N Shift Values>> N :: 123.23(3.54) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.21 K 0.15 Q 0.14 I 0.08 M 0.01 HN Overlap>> 1.Y73 1.Y73 C Shift Assignments>> C :: 176.394 CA :: 59.760 CB :: 29.339 CG :: 34.985 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.652 HA :: 3.754 HB2 :: 1.992 HB3 :: 1.950 HG2 :: 2.008 HG3 :: 2.111 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 :: 117.626 Ave N Shift Values>> N :: 120.67(3.48) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 P 0.22 A 0.1 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 177.599 CA :: 48.031 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.849 HA2 :: 3.751 HA3 :: 3.226 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.838 Ave N Shift Values>> N :: 109.67(3.87) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.36 C 0.2 C Shift Assignments>> C :: 175.954 CA :: 62.453 CB :: 39.440 CD1 :: 131.414 CE1 :: 132.000 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 :: 8.355 HA :: 4.379 HB2 :: 3.043 HB3 :: 2.805 HD1 :: 7.092 HE1 :: 7.418 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 :: 119.315 Ave N Shift Values>> N :: 120.45(4.18) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 M 0.3 C 0.1 V 0.05 L 0.04 I 0.03 T 0.01 HN Overlap>> 1.V7 1.V7 C Shift Assignments>> C :: 172.881 CA :: 55.880 CB :: 19.719 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.191 HA :: 3.912 HB1 :: 1.678 HB2 :: 1.678 HB3 :: 1.678 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.931 Ave N Shift Values>> N :: 123.23(3.54) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.36 R 0.19 HN Overlap>> 1.M49 1.M49 C Shift Assignments>> C :: 175.954 CA :: 58.890 CB :: 31.940 CG :: 25.841 CD :: 29.640 CE :: 42.169 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 :: 8.703 HA :: 4.230 HB2 :: 1.863 HB3 :: 2.055 HG2 :: 1.491 HG3 :: 1.744 HD2 :: 1.764 HD3 :: 1.695 HE2 :: 2.903 HE3 :: 2.778 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 :: 116.659 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 178.520 CA :: 65.340 CB :: 69.560 CG2 :: 21.111 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 :: 7.211 HA :: 4.254 HB :: 4.246 HG21 :: 1.353 HG22 :: 1.353 HG23 :: 1.353 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.788 Ave N Shift Values>> N :: 115.42(4.75) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.43 R 0.03 A 0.03 G 0.02 HN Overlap>> 1.L109 1.L109 C Shift Assignments>> C :: 175.254 CA :: 56.690 CB :: 42.410 CG :: 25.456 CD1 :: 22.431 CD2 :: 25.743 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 :: 8.708 HA :: 4.367 HB2 :: 1.645 HB3 :: 1.601 HG :: 0.923 HD11 :: 1.005 HD12 :: 1.005 HD13 :: 1.005 HD21 :: 0.725 HD22 :: 0.725 HD23 :: 0.725 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 :: 120.618 Ave N Shift Values>> N :: 121.86(3.9) 1.G26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 180.152(S) CA :: 45.185 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.855 HA2 :: 4.241 HA3 :: 3.651 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.420 Ave N Shift Values>> N :: 109.67(3.87) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.42 C 0.01 I 0.01 C Shift Assignments>> C :: 175.129 CA :: 54.195 CB :: 18.009 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.054 HA :: 4.290 HB1 :: 1.549 HB2 :: 1.549 HB3 :: 1.549 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.530 Ave N Shift Values>> N :: 123.23(3.54) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 179.551 CA :: 45.830 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.189 HA2 :: 4.281 HA3 :: 3.774 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.626 Ave N Shift Values>> N :: 109.67(3.87) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.39 R 0.16 G 0.01 C Shift Assignments>> C :: 177.664 CA :: 57.320 CB :: 35.140 CG :: 25.132 CD :: 29.443 CE :: 42.266 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 :: 8.386 HA :: 4.557 HB2 :: 1.761 HB3 :: 1.952 HG2 :: 1.461 HG3 :: 1.412 HD2 :: 1.729 HD3 :: 1.638 HE2 :: 3.037 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.287 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.23 G 0.05 A 0.01 C Shift Assignments>> C :: 180.099 CA :: 58.970 CB :: 42.540 CG1 :: 25.382 CG2 :: 18.941 CD1 :: 13.879 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 :: 7.666 HA :: 5.089 HB :: 1.774 HG12 :: 1.094 HG13 :: 1.356 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 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 :: 111.060 Ave N Shift Values>> N :: 121.46(4.28) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 L 0.03 C 0.03 M 0.01 HN Overlap>> 1.D56 1.D56 C Shift Assignments>> C :: 176.632 CA :: 50.819 CB :: 20.819 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.745 HA :: 4.929 HB1 :: 1.403 HB2 :: 1.403 HB3 :: 1.403 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.864 Ave N Shift Values>> N :: 123.23(3.54) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 179.441 CA :: 61.153 CB :: 35.142 CG1 :: 22.650 CG2 :: 22.135 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 :: 8.936 HA :: 5.241 HB :: 1.999 HG11 :: 1.108 HG12 :: 1.108 HG13 :: 1.108 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 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 :: 122.032 Ave N Shift Values>> N :: 121.14(4.54) 1.T33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 HN Overlap>> 1.L79 1.L79 1.V42 1.V42 C Shift Assignments>> C :: 182.772(S) CA :: 61.296 CB :: 71.793 CG2 :: 22.382 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 :: 8.851 HA :: 4.435 HB :: 3.632 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 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 :: 123.122 Ave N Shift Values>> N :: 115.42(4.75) 1.S34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.67 T 0.32 HN Overlap>> 1.M17 1.M17 C Shift Assignments>> C :: 181.295(S) CA :: 57.210 CB :: 66.978 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.464 HA :: 5.630 HB2 :: 3.869 HB3 :: 3.600 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 :: 118.105 Ave N Shift Values>> N :: 116.28(3.52) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 180.199 CA :: 58.080 CB :: 66.089 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.984 HA :: 4.928 HB2 :: 3.307 HB3 :: 3.218 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 :: 114.446 Ave N Shift Values>> N :: 116.28(3.52) 1.G36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.29 G 0.09 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 180.384(S) CA :: 43.514 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.630 HA2 :: 5.102 HA3 :: 3.286 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.367 Ave N Shift Values>> N :: 109.67(3.87) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 L 0.3 R 0.01 C Shift Assignments>> C :: 175.240 CA :: 58.134 CB :: 40.786 CG :: 27.598 CD1 :: 22.532 CD2 :: 25.940 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 :: 7.654 HA :: 4.057 HB2 :: 2.039 HB3 :: 1.695 HG :: 1.766 HD11 :: 0.772 HD12 :: 0.772 HD13 :: 0.772 HD21 :: 0.946 HD22 :: 0.946 HD23 :: 0.946 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 :: 121.251 Ave N Shift Values>> N :: 121.86(3.9) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.34 E 0.13 Q 0.01 C Shift Assignments>> C :: 180.152 CA :: 54.230 CB :: 33.205 CG :: 36.030 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 :: 8.288 HA :: 4.499 HB2 :: 2.077 HB3 :: 1.938 HG2 :: 2.319 HG3 :: 2.062 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.110 Ave N Shift Values>> N :: 120.67(3.48) 1.S39 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 :: 179.124 CA :: 57.287 CB :: 65.570 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.292 HA :: 4.277 HB2 :: 3.715 HB3 :: 3.234 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.734 Ave N Shift Values>> N :: 116.28(3.52) 1.S40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 180.356(S) CA :: 57.594 CB :: 63.202 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.633 HA :: 4.383 HB2 :: 3.938 HB3 :: 3.889 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 :: 114.334 Ave N Shift Values>> N :: 116.28(3.52) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.27 K 0.19 G 0.13 C Shift Assignments>> C :: 178.892 CA :: 54.339 CB :: 32.130 CG :: 25.250 CD :: 43.500 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 :: 9.086 HA :: 4.671 HB2 :: 1.754 HB3 :: 1.982 HG2 :: 1.606 HG3 :: 1.318 HD2 :: 3.089 HD3 :: 3.089 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 :: 122.880 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.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 HN Overlap>> 1.T33 1.T33 C Shift Assignments>> C :: 178.399 CA :: 64.787 CB :: 31.030 CG1 :: 21.865 CG2 :: 21.865 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 :: 8.885 HA :: 3.767 HB :: 1.898 HG11 :: 0.760 HG12 :: 0.760 HG13 :: 0.760 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 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 :: 123.212 Ave N Shift Values>> N :: 121.14(4.54) 1.H43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.76 W 0.19 Y 0.03 C Shift Assignments>> CA :: 56.993 CB :: 32.690 CD2 :: 117.803 CE1 :: 129.586(S) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.054 HA :: 4.277 HB2 :: 3.295 HB3 :: 3.046 HD2 :: 7.259 HE1 :: 6.424 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 :: 133.201(S) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 173.454 CA :: 65.450 CB :: 32.190 CG :: 27.570 CD :: 50.742 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 :: 4.202 HB2 :: 2.360 HB3 :: 1.985 HG2 :: 1.970 HG3 :: 1.929 HD2 :: 3.690 HD3 :: 2.938 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.T45 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 176.997 CA :: 65.743 CB :: 67.243 CG2 :: 23.396 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 :: 11.804(A) HA :: 3.934 HB :: 3.242 HG21 :: 0.281(S) HG22 :: 0.281(S) HG23 :: 0.281(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 :: 121.717 Ave N Shift Values>> N :: 115.42(4.75) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.17 I 0.09 C 0.02 C Shift Assignments>> C :: 174.435 CA :: 56.180 CB :: 17.603 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.371 HA :: 3.903 HB1 :: 1.760 HB2 :: 1.760 HB3 :: 1.760 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.865 Ave N Shift Values>> N :: 123.23(3.54) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 174.206 CA :: 65.600 CB :: 37.998 CG1 :: 29.859 CG2 :: 17.263 CD1 :: 13.446 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 :: 7.968 HA :: 3.372 HB :: 1.950 HG12 :: 1.758 HG13 :: 0.465 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 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 :: 117.506 Ave N Shift Values>> N :: 121.46(4.28) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.35 I 0.04 C 0.02 C Shift Assignments>> C :: 174.255 CA :: 55.250 CB :: 17.990 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.780 HA :: 4.260 HB1 :: 1.476 HB2 :: 1.476 HB3 :: 1.476 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.588 Ave N Shift Values>> N :: 123.23(3.54) 1.M49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 A 0.11 M 0.03 HN Overlap>> 1.K23 1.K23 C Shift Assignments>> C :: 173.931 CA :: 56.398 CB :: 34.742 CG :: 33.980 CE :: 21.340 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 :: 8.709 HA :: 4.525 HB2 :: 2.321 HB3 :: 1.685 HG2 :: 2.524 HE1 :: 1.962 HE2 :: 1.962 HE3 :: 1.962 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 :: 116.656 Ave N Shift Values>> N :: 120.09(3.57) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.21 A 0.11 HN Overlap>> 1.F68 1.F68 C Shift Assignments>> C :: 174.676 CA :: 55.030 CB :: 28.990 CG :: 33.591 CE :: 15.548 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 :: 7.953 HA :: 4.814 HB2 :: 2.090 HB3 :: 1.896 HG2 :: 2.634 HG3 :: 2.211 HE1 :: 0.729 HE2 :: 0.729 HE3 :: 0.729 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 :: 118.900 Ave N Shift Values>> N :: 120.09(3.57) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.3 I 0.21 K 0.06 Q 0.03 HN Overlap>> 1.F6 1.F6 C Shift Assignments>> C :: 173.031 CA :: 59.853 CB :: 29.192 CG :: 36.224 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 :: 8.287 HA :: 3.918 HB2 :: 2.196 HB3 :: 2.150 HG2 :: 2.380 HG3 :: 2.204 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.760 Ave N Shift Values>> N :: 120.67(3.48) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.34 I 0.13 M 0.03 K 0.01 C Shift Assignments>> C :: 175.655 CA :: 59.247 CB :: 30.345 CG :: 37.009 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 :: 7.533 HA :: 4.156 HB2 :: 2.248 HB3 :: 2.149 HG2 :: 2.663 HG3 :: 2.359 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 :: 117.033 Ave N Shift Values>> N :: 120.67(3.48) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 177.923 CA :: 59.490 CB :: 30.495 CG1 :: 21.197 CG2 :: 19.802 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 :: 7.224 HA :: 4.749 HB :: 2.772 HG11 :: 0.991 HG12 :: 0.991 HG13 :: 0.991 HG21 :: 1.103 HG22 :: 1.103 HG23 :: 1.103 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 :: 107.808 Ave N Shift Values>> N :: 121.14(4.54) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 179.277 CA :: 46.280 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.819 HA2 :: 4.088 HA3 :: 3.853 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.583 Ave N Shift Values>> N :: 109.67(3.87) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 180.116 CA :: 60.640 CB :: 41.120 CG1 :: 27.289 CG2 :: 16.554 CD1 :: 14.750 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 :: 7.897 HA :: 4.134 HB :: 1.097 HG12 :: 1.438 HG13 :: 0.897 HG21 :: 0.396 HG22 :: 0.396 HG23 :: 0.396 HD11 :: 0.570 HD12 :: 0.570 HD13 :: 0.570 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 :: 121.234 Ave N Shift Values>> N :: 121.46(4.28) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.22 L 0.18 C 0.05 F 0.05 K 0.05 Y 0.03 HN Overlap>> 1.A31 1.A31 C Shift Assignments>> C :: 176.315 CA :: 52.330 CB :: 41.065 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 :: 8.756 HA :: 4.722 HB2 :: 2.604 HB3 :: 2.862 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 :: 126.882 Ave N Shift Values>> N :: 120.65(3.86) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 177.021 CA :: 61.189 CB :: 38.102 CG1 :: 27.756 CG2 :: 18.249 CD1 :: 14.700 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 :: 8.589 HA :: 4.449 HB :: 2.215 HG12 :: 1.073 HG13 :: 0.970 HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 HD11 :: 0.478 HD12 :: 0.478 HD13 :: 0.478 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 :: 119.830 Ave N Shift Values>> N :: 121.46(4.28) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.719 CA :: 63.105 CB :: 62.072 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.707 HA :: 3.979 HB2 :: 3.757 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 :: 118.346 Ave N Shift Values>> N :: 116.28(3.52) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 178.630 CA :: 44.479 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.546 HA2 :: 4.367 HA3 :: 3.540 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.766 Ave N Shift Values>> N :: 109.67(3.87) 1.Q60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.4 C 0.37 I 0.08 K 0.08 Q 0.03 C Shift Assignments>> C :: 179.095 CA :: 56.164 CB :: 28.610 CG :: 36.803 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 :: 7.255 HA :: 4.382 HB2 :: 2.372 HB3 :: 2.062 HG2 :: 2.216 HG3 :: 2.395 HE21 :: 6.468 HE22 :: 8.508(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.776 NE2 :: 110.230 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.16 C Shift Assignments>> C :: 178.085 CA :: 60.115 CB :: 69.767 CG2 :: 21.805 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 :: 8.384 HA :: 4.416 HB :: 4.257 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 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 :: 108.698 Ave N Shift Values>> N :: 115.42(4.75) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.448 CA :: 55.680 CB :: 63.590 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.781 HA :: 4.944 HB2 :: 3.677 HB3 :: 3.259 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 :: 119.145 Ave N Shift Values>> N :: 116.28(3.52) 1.D63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 C 0.02 C Shift Assignments>> CA :: 51.873 CB :: 46.568(S) 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 :: 9.885 HA :: 5.415 HB2 :: 2.791 HB3 :: 2.660 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 :: 128.402 Ave N Shift Values>> N :: 120.65(3.86) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.43 C Shift Assignments>> C :: 175.585 CA :: 61.460 CB :: 31.680 CG :: 26.930 CD :: 50.442 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 :: 4.870 HB2 :: 2.343 HB3 :: 2.125 HG2 :: 2.177 HG3 :: 2.078 HD2 :: 3.898 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.I65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.350 CA :: 64.655 CB :: 38.513 CG1 :: 29.373 CG2 :: 15.902 CD1 :: 13.227 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 :: 8.843 HA :: 3.924 HB :: 1.243 HG12 :: 0.557 HG13 :: 0.706 HG21 :: 0.751 HG22 :: 0.751 HG23 :: 0.751 HD11 :: -0.575(S) HD12 :: -0.575(S) HD13 :: -0.575(S) 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 :: 124.446 Ave N Shift Values>> N :: 121.46(4.28) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.15 K 0.08 Q 0.04 HN Overlap>> 1.D74 1.D74 C Shift Assignments>> C :: 177.107 CA :: 58.580 CB :: 28.899 CG :: 36.311 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 :: 8.519 HA :: 4.401 HB2 :: 2.155 HB3 :: 2.126 HG2 :: 2.325 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.954 Ave N Shift Values>> N :: 120.67(3.48) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.17 E 0.06 Y 0.06 M 0.05 F 0.04 D 0.04 C Shift Assignments>> C :: 179.682 CA :: 53.051 CB :: 37.176 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 :: 7.687 HA :: 4.559 HB2 :: 2.451 HB3 :: 2.359 HD21 :: 6.884 HD22 :: 7.583 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 :: 118.194 ND2 :: 109.528 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F68 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 Y 0.2 G 0.12 HN Overlap>> 1.M50 1.M50 C Shift Assignments>> C :: 180.595 CA :: 57.000 CB :: 42.620 CD1 :: 132.837 CD2 :: 115.549(A) CE2 :: 124.163(S) CZ :: 120.241(S) 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 :: 8.045 HA :: 4.901 HB2 :: 3.017 HB3 :: 3.433 HD1 :: 7.355 HD2 :: 7.345 HE2 :: 6.576 HZ :: 7.628 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 :: 118.850 Ave N Shift Values>> N :: 120.45(4.18) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.25 C 0.06 L 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 178.722 CA :: 51.310 CB :: 39.754 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.177 HA :: 5.013 HB2 :: 2.898 HB3 :: 2.683 HD21 :: 6.964 HD22 :: 7.525 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 :: 120.042 ND2 :: 113.741 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.52 M 0.42 C 0.02 I 0.01 C Shift Assignments>> C :: 176.237 CA :: 54.520 CB :: 18.250 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.257 HA :: 1.859(S) HB1 :: -0.292(S) HB2 :: -0.292(S) HB3 :: -0.292(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.925 Ave N Shift Values>> N :: 123.23(3.54) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 F 0.15 Y 0.13 N 0.1 C 0.07 K 0.05 I 0.01 C Shift Assignments>> C :: 176.183 CA :: 55.255 CB :: 40.510 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.436 HA :: 4.222 HB2 :: 2.483 HB3 :: 2.348 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 :: 109.413 Ave N Shift Values>> N :: 120.65(3.86) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 F 0.15 Y 0.12 N 0.1 C 0.07 K 0.05 I 0.01 C Shift Assignments>> C :: 178.181 CA :: 55.230 CB :: 40.520 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 :: 7.579 HA :: 4.236 HB2 :: 2.749 HB3 :: 2.239 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 :: 116.787 Ave N Shift Values>> N :: 120.65(3.86) 1.Y73 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.E19 1.N125 1.E19 1.N125 C Shift Assignments>> C :: 179.937 CA :: 59.171 CB :: 40.172 CD1 :: 118.006(S) CE1 :: 130.196(S) 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 :: 7.735 HA :: 4.072 HB2 :: 2.792 HB3 :: 2.717 HD1 :: 6.935 HE1 :: 7.120 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.664 Ave N Shift Values>> N :: 120.52(4.2) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.23 R 0.06 C 0.06 F 0.02 D 0.01 Y 0.01 HN Overlap>> 1.E66 1.E66 C Shift Assignments>> C :: 179.287 CA :: 55.960 CB :: 45.077 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 :: 8.462 HA :: 4.995 HB2 :: 2.954 HB3 :: 2.624 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.905 Ave N Shift Values>> N :: 120.65(3.86) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 180.225 CA :: 60.397 CB :: 35.140 CG1 :: 21.349 CG2 :: 20.073 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 :: 7.897 HA :: 4.502 HB :: 1.958 HG11 :: 0.704 HG12 :: 0.704 HG13 :: 0.704 HG21 :: 0.829 HG22 :: 0.829 HG23 :: 0.829 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 :: 116.183 Ave N Shift Values>> N :: 121.14(4.54) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 181.215 CA :: 61.110 CB :: 35.070 CG1 :: 20.750 CG2 :: 20.330 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 :: 8.363 HA :: 4.641 HB :: 2.414 HG11 :: 1.082 HG12 :: 1.082 HG13 :: 1.082 HG21 :: 1.271 HG22 :: 1.271 HG23 :: 1.271 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 :: 128.036 Ave N Shift Values>> N :: 121.14(4.54) 1.I77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.97 A 0.01 C Shift Assignments>> C :: 177.273 CA :: 55.630 CB :: 37.531 CG1 :: 25.071 CG2 :: 13.864 CD1 :: 10.207 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 :: 8.507 HA :: 4.476 HB :: 1.448 HG12 :: 0.736 HG13 :: 0.514 HG21 :: -1.080(S) HG22 :: -1.080(S) HG23 :: -1.080(S) HD11 :: 0.308 HD12 :: 0.308 HD13 :: 0.308 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 :: 125.838 Ave N Shift Values>> N :: 121.46(4.28) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.556 CA :: 56.170 CB :: 64.430 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.821 HA :: 5.196 HB2 :: 3.821 HB3 :: 3.759 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 :: 120.285 Ave N Shift Values>> N :: 116.28(3.52) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 G 0.12 L 0.03 HN Overlap>> 1.T33 1.T33 C Shift Assignments>> C :: 177.746 CA :: 54.920 CB :: 43.433 CG :: 28.172 CD1 :: 27.805 CD2 :: 28.063 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 :: 8.831 HA :: 5.058 HB2 :: 2.033 HB3 :: 1.250 HG :: 0.963 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 HD21 :: 1.670 HD22 :: 1.670 HD23 :: 1.670 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 :: 123.060 Ave N Shift Values>> N :: 121.86(3.9) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.28 D 0.13 K 0.05 F 0.05 G 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 178.392 CA :: 54.790 CB :: 43.288 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.885 HA :: 5.044 HB2 :: 3.871 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 :: 110.579 Ave N Shift Values>> N :: 120.17(4.64) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 P 0.33 A 0.13 C 0.09 N 0.04 L 0.01 D 0.01 C Shift Assignments>> C :: 177.596 CA :: 48.200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.646 HA2 :: 3.862 HA3 :: 4.102 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.909 Ave N Shift Values>> N :: 109.67(3.87) 1.C82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 L 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.02 C Shift Assignments>> C :: 178.979 CA :: 55.903 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.031 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 :: 112.575 Ave N Shift Values>> N :: 120.17(4.64) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.1 P 0.07 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 178.399 CA :: 47.696 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.904 HA2 :: 4.005 HA3 :: 3.667 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.197 Ave N Shift Values>> N :: 109.67(3.87) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 177.893 CA :: 63.011 CB :: 31.630 CG1 :: 19.948 CG2 :: 20.703 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 :: 7.902 HA :: 4.082 HB :: 2.177 HG11 :: 0.912 HG12 :: 0.912 HG13 :: 0.912 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 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 :: 115.838 Ave N Shift Values>> N :: 121.14(4.54) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.28 L 0.13 F 0.08 Y 0.07 C 0.06 K 0.01 C Shift Assignments>> C :: 178.945 CA :: 53.590 CB :: 40.190 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 :: 7.888 HA :: 4.786 HB2 :: 2.534 HB3 :: 3.001 HD21 :: 6.907 HD22 :: 7.505 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 :: 117.802 ND2 :: 111.168 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.19 A 0.02 C Shift Assignments>> CA :: 53.120 CB :: 40.808 CG :: 27.015 CD1 :: 25.706 CD2 :: 23.948 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 :: 7.434 HA :: 4.393 HB2 :: 1.574 HB3 :: 1.296 HG :: 1.716 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.603 HD22 :: 0.603 HD23 :: 0.603 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 :: 120.437 Ave N Shift Values>> N :: 121.86(3.9) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 C 0.46 C Shift Assignments>> CA :: 61.788 CB :: 31.024 CG :: 28.232 CD :: 50.120 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 :: 4.791 HB2 :: 2.766 HB3 :: 2.149 HG2 :: 2.352 HG3 :: 2.285 HD2 :: 3.968 HD3 :: 3.463 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.P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 175.019 CA :: 64.900 CB :: 31.920 CG :: 27.534 CD :: 50.588 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.170 HB2 :: 2.291 HB3 :: 1.926 HG2 :: 2.060 HG3 :: 2.060 HD2 :: 3.813 HD3 :: 3.813 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.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 I 0.26 E 0.21 K 0.04 Q 0.03 C Shift Assignments>> C :: 175.589 CA :: 59.104 CB :: 27.530 CG :: 36.218 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.761 HA :: 3.920 HB2 :: 1.757 HB3 :: 1.572 HG2 :: 2.001 HG3 :: 2.095 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 :: 118.191 Ave N Shift Values>> N :: 120.67(3.48) 1.W90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.42 H 0.07 C Shift Assignments>> C :: 177.208 CA :: 60.082 CB :: 29.853 CD1 :: 125.930 CZ2 :: 115.598 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 :: 7.983 HA :: 4.127 HB2 :: 3.280 HB3 :: 3.066 HD1 :: 7.214 HE1 :: 10.542 HZ2 :: 7.338 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 :: 118.048 NE1 :: 129.452 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.31 C Shift Assignments>> C :: 176.711 CA :: 60.318 CB :: 31.066 CG1 :: 19.276 CG2 :: 20.551 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 :: 7.083 HA :: 4.206 HB :: 1.641 HG11 :: 0.682 HG12 :: 0.682 HG13 :: 0.682 HG21 :: -0.003 HG22 :: -0.003 HG23 :: -0.003 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 108.433 Ave N Shift Values>> N :: 121.14(4.54) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.13 C Shift Assignments>> C :: 178.140 CA :: 60.847 CB :: 68.550 CG2 :: 21.447 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 :: 6.987 HA :: 4.540 HB :: 4.508 HG21 :: 1.097 HG22 :: 1.097 HG23 :: 1.097 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 :: 110.010 Ave N Shift Values>> N :: 115.42(4.75) 1.Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.25 R 0.23 Q 0.16 M 0.01 HN Overlap>> 1.F112 1.F112 C Shift Assignments>> C :: 178.550 CA :: 53.827 CB :: 26.309 CG :: 32.997 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 :: 8.016 HA :: 4.422 HB2 :: 2.631 HB3 :: 1.761 HG2 :: 2.468 HG3 :: 2.093 HE21 :: 6.784 HE22 :: 7.231 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 :: 119.916 NE2 :: 113.747 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.27 E 0.22 K 0.05 Q 0.02 HN Overlap>> 1.L126 1.L126 C Shift Assignments>> C :: 176.163 CA :: 60.990 CB :: 29.365 CG :: 35.984 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.267 HA :: 3.906 HB2 :: 2.460 HB3 :: 2.237 HG2 :: 2.412 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 :: 121.948 Ave N Shift Values>> N :: 120.67(3.48) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.48 G 0.01 C Shift Assignments>> C :: 178.029 CA :: 60.305 CB :: 42.110 CG1 :: 28.058 CG2 :: 17.458 CD1 :: 12.945 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 :: 7.752 HA :: 4.475 HB :: 1.707 HG12 :: 1.556 HG13 :: 1.241 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 113.845 Ave N Shift Values>> N :: 121.46(4.28) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.35 C 0.17 G 0.01 C Shift Assignments>> C :: 178.570 CA :: 57.281 CB :: 42.316 CD2 :: 132.116 CE2 :: 129.000 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 :: 8.375 HA :: 5.888 HB2 :: 3.544 HB3 :: 2.703 HD2 :: 7.190 HE2 :: 7.108 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 128.978 Ave N Shift Values>> N :: 120.45(4.18) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 M 0.1 E 0.04 C Shift Assignments>> C :: 181.527 CA :: 54.750 CB :: 34.750 CG :: 36.046 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 :: 7.346 HA :: 4.134 HB2 :: 1.974 HB3 :: 1.644 HG2 :: 2.273 HG3 :: 1.989 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 :: 123.972 Ave N Shift Values>> N :: 120.67(3.48) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 G 0.2 D 0.18 R 0.17 C 0.04 F 0.02 K 0.02 N 0.02 Y 0.01 C Shift Assignments>> C :: 177.616 CA :: 52.020 CB :: 43.370 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 :: 8.351 HA :: 5.219 HB2 :: 2.953 HB3 :: 2.387 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 :: 119.719 Ave N Shift Values>> N :: 120.65(3.86) 1.W99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 178.020 CA :: 54.160 CB :: 30.220 CD1 :: 124.699 CZ2 :: 115.560 CH2 :: 123.085 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 :: 9.106 HA :: 4.966 HB2 :: 3.268 HB3 :: 2.945 HD1 :: 6.883 HE1 :: 11.440 HZ2 :: 7.361 HH2 :: 6.879 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.007 NE1 :: 132.359 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.29 K 0.2 R 0.12 E 0.05 M 0.01 I 0.01 C Shift Assignments>> C :: 179.297 CA :: 56.514 CB :: 27.657 CG :: 33.940 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 :: 8.789 HA :: 3.880 HB2 :: 2.080 HB3 :: 1.944 HG2 :: 2.528 HG3 :: 2.240 HE21 :: 7.558 HE22 :: 6.800 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 :: 120.881 NE2 :: 111.872 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.3 C 0.22 A 0.04 C Shift Assignments>> C :: 176.761 CA :: 53.176 CB :: 44.043 CG :: 28.311 CD1 :: 23.642 CD2 :: 23.546 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 :: 7.421 HA :: 4.616 HB2 :: 1.447 HB3 :: 1.709 HG :: 1.023 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 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 :: 122.719 Ave N Shift Values>> N :: 121.86(3.9) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.31 M 0.1 Q 0.08 K 0.07 I 0.02 C Shift Assignments>> C :: 179.694 CA :: 56.405 CB :: 30.190 CG :: 36.046 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 :: 8.958 HA :: 3.905 HB2 :: 1.802 HB3 :: 1.653 HG2 :: 2.030 HG3 :: 2.030 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 :: 125.250 Ave N Shift Values>> N :: 120.67(3.48) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.25 L 0.17 C 0.07 K 0.04 F 0.03 Y 0.02 R 0.01 G 0.01 C Shift Assignments>> CA :: 50.591 CB :: 41.405 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 :: 8.276 HA :: 4.326 HB2 :: 2.996 HB3 :: 2.574 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.014 Ave N Shift Values>> N :: 120.65(3.86) 1.P104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> C :: 179.598 CA :: 62.765 CB :: 30.628 CG :: 26.513 CD :: 49.244 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 :: 3.885 HB2 :: 0.936 HB3 :: 0.221(S) HG2 :: 1.304 HG3 :: 1.046 HD2 :: 4.138 HD3 :: 4.031 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.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.18 F 0.15 Y 0.11 D 0.09 R 0.08 C 0.07 I 0.01 C Shift Assignments>> C :: 175.806 CA :: 57.210 CB :: 41.880 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 :: 7.687 HA :: 4.172 HB2 :: 2.796 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 :: 120.535 Ave N Shift Values>> N :: 120.65(3.86) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 178.880 CA :: 45.773 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.969 HA2 :: 4.181 HA3 :: 3.878 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.214 Ave N Shift Values>> N :: 109.67(3.87) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.23 C 0.22 M 0.09 E 0.08 R 0.01 C Shift Assignments>> C :: 178.653 CA :: 54.340 CB :: 29.590 CG :: 34.133 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 :: 8.289 HA :: 4.705 HB2 :: 2.327 HB3 :: 2.038 HG2 :: 2.267 HG3 :: 2.056 HE21 :: 7.130 HE22 :: 7.437 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 :: 118.441 NE2 :: 114.450 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S108 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 :: 177.339 CA :: 57.775 CB :: 65.300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.276 HA :: 4.495 HB2 :: 4.115 HB3 :: 4.450 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 :: 114.217 Ave N Shift Values>> N :: 116.28(3.52) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.45 R 0.02 HN Overlap>> 1.L25 1.L25 C Shift Assignments>> C :: 174.833 CA :: 58.515 CB :: 41.480 CG :: 27.166 CD1 :: 25.367 CD2 :: 23.400 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 :: 8.713 HA :: 4.145 HB2 :: 1.818 HB3 :: 1.496 HG :: 1.805 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 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 :: 120.724 Ave N Shift Values>> N :: 121.86(3.9) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.29 E 0.26 K 0.04 Q 0.01 C Shift Assignments>> C :: 173.974 CA :: 60.038 CB :: 29.087 CG :: 36.687 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 :: 8.336 HA :: 4.074 HB2 :: 2.003 HB3 :: 2.073 HG2 :: 2.372 HG3 :: 2.311 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.800 Ave N Shift Values>> N :: 120.67(3.48) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 175.167 CA :: 66.619 CB :: 31.030 CG1 :: 22.633 CG2 :: 20.293 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 :: 7.701 HA :: 3.711 HB :: 2.226 HG11 :: 1.058 HG12 :: 1.058 HG13 :: 1.058 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 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 :: 122.253 Ave N Shift Values>> N :: 121.14(4.54) 1.F112 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 Y 0.29 HN Overlap>> 1.Q93 1.Q93 C Shift Assignments>> C :: 174.699 CA :: 63.760 CB :: 40.080 CD1 :: 130.821 CE1 :: 132.293 CZ :: 139.132(A) 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 :: 7.994 HA :: 3.683 HB2 :: 3.289 HB3 :: 2.873 HD1 :: 6.990 HE1 :: 6.986 HZ :: 7.818 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 :: 119.862 Ave N Shift Values>> N :: 120.45(4.18) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 G 0.13 K 0.08 C Shift Assignments>> C :: 174.111 CA :: 61.200 CB :: 30.027 CG :: 31.140 CD :: 43.276 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 :: 8.705 HA :: 3.810 HB2 :: 1.959 HB3 :: 1.836 HG2 :: 1.952 HG3 :: 1.524 HD2 :: 3.194 HD3 :: 3.219 HE :: 8.850 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 :: 117.860 NE :: 87.029 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.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.300 CA :: 66.950 CB :: 68.485 CG2 :: 21.337 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 :: 8.419 HA :: 3.946 HB :: 4.420 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 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 :: 121.025 Ave N Shift Values>> N :: 115.42(4.75) 1.V115 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 :: 176.300 CA :: 66.716 CB :: 31.912 CG1 :: 23.413 CG2 :: 21.758 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 :: 8.600 HA :: 3.855 HB :: 1.954 HG11 :: 0.978 HG12 :: 0.978 HG13 :: 0.978 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 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 :: 123.822 Ave N Shift Values>> N :: 121.14(4.54) 1.R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.31 R 0.18 C Shift Assignments>> C :: 175.634 CA :: 60.628 CB :: 30.870 CG :: 26.658 CD :: 44.420 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 :: 8.610 HA :: 4.079 HB2 :: 2.482 HB3 :: 1.860 HG2 :: 2.182 HG3 :: 1.849 HD2 :: 3.470 HD3 :: 2.767 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 :: 120.811 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.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 176.767 CA :: 47.390 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.950 HA2 :: 4.015 HA3 :: 3.844 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.485 Ave N Shift Values>> N :: 109.67(3.87) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.25 E 0.08 R 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 174.254 CA :: 58.570 CB :: 28.970 CG :: 33.962 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 :: 7.923 HA :: 4.093 HB2 :: 2.443 HB3 :: 1.889 HG2 :: 2.553 HG3 :: 2.340 HE21 :: 7.208 HE22 :: 6.520 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 :: 122.539 NE2 :: 108.590 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 176.968 CA :: 67.198 CB :: 31.393 CG1 :: 22.759 CG2 :: 24.485 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 :: 8.821 HA :: 3.388 HB :: 2.438 HG11 :: 1.019 HG12 :: 1.019 HG13 :: 1.019 HG21 :: 1.157 HG22 :: 1.157 HG23 :: 1.157 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 :: 119.415 Ave N Shift Values>> N :: 121.14(4.54) 1.K120 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 K 0.41 R 0.04 G 0.01 C Shift Assignments>> C :: 176.341 CA :: 61.162 CB :: 32.022 CG :: 24.870 CD :: 29.446 CE :: 42.089 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 :: 8.163 HA :: 2.571(S) HB2 :: 1.448 HB3 :: 0.828(S) HG2 :: 0.817 HG3 :: 0.265(S) HD2 :: 1.421 HD3 :: 1.372 HE2 :: 2.903 HE3 :: 2.781 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 :: 120.276 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.35 I 0.1 K 0.09 Q 0.06 M 0.02 C Shift Assignments>> C :: 174.609 CA :: 58.925 CB :: 29.645 CG :: 35.940 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 :: 7.390 HA :: 3.974 HB2 :: 1.887 HB3 :: 1.965 HG2 :: 2.248 HG3 :: 2.107 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 :: 115.854 Ave N Shift Values>> N :: 120.67(3.48) 1.R122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 R 0.26 L 0.16 K 0.05 G 0.02 C Shift Assignments>> C :: 174.015 CA :: 58.740 CB :: 27.484 CG :: 27.424 CD :: 42.638 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 :: 7.410 HA :: 3.561 HB2 :: 1.257 HB3 :: 1.052 HG2 :: 0.823 HD2 :: 2.117(S) HD3 :: 2.256 HE :: 10.277(S) 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 :: 117.863 NE :: 83.924 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.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 176.341 CA :: 67.824 CB :: 31.000 CG1 :: 24.948 CG2 :: 22.135 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 :: 8.820 HA :: 3.818 HB :: 2.199 HG11 :: 1.315 HG12 :: 1.315 HG13 :: 1.315 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 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 :: 121.930 Ave N Shift Values>> N :: 121.14(4.54) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.41 E 0.14 C Shift Assignments>> C :: 173.956 CA :: 60.690 CB :: 29.415 CG :: 37.593 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 :: 8.626 HA :: 3.761 HB2 :: 2.158 HB3 :: 1.892 HG2 :: 2.336 HG3 :: 2.130 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 :: 120.522 Ave N Shift Values>> N :: 120.67(3.48) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.21 C 0.16 N 0.13 D 0.1 L 0.04 I 0.04 E 0.03 M 0.01 HN Overlap>> 1.Y73 1.Y73 C Shift Assignments>> C :: 176.754 CA :: 56.158 CB :: 38.615 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 :: 7.757 HA :: 4.408 HB2 :: 2.788 HB3 :: 2.702 HD21 :: 6.999 HD22 :: 7.654 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 :: 117.729 ND2 :: 112.809 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.24 L 0.2 G 0.01 HN Overlap>> 1.E94 1.E94 C Shift Assignments>> C :: 175.227 CA :: 58.211 CB :: 42.350 CG :: 26.728 CD1 :: 23.031 CD2 :: 27.385 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 :: 8.169 HA :: 4.250 HB2 :: 2.434 HB3 :: 2.047 HG :: 1.047 HD11 :: 1.041 HD12 :: 1.041 HD13 :: 1.041 HD21 :: 1.570 HD22 :: 1.570 HD23 :: 1.570 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 :: 121.961 Ave N Shift Values>> N :: 121.86(3.9) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 I 0.04 C Shift Assignments>> C :: 175.457 CA :: 65.185 CB :: 37.400 CG1 :: 30.357 CG2 :: 14.139 CD1 :: 17.482 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 :: 8.565 HA :: 3.464 HB :: 1.918 HG12 :: 1.829 HG13 :: 1.109 HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 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 :: 117.483 Ave N Shift Values>> N :: 121.46(4.28) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 174.542 CA :: 54.610 CB :: 18.150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.544 HA :: 4.185 HB1 :: 1.523 HB2 :: 1.523 HB3 :: 1.523 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.656 Ave N Shift Values>> N :: 123.23(3.54) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.44 R 0.09 C Shift Assignments>> C :: 175.355 CA :: 57.951 CB :: 33.317 CG :: 24.911 CD :: 29.606 CE :: 42.059 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 :: 7.665 HA :: 4.355 HB2 :: 2.061 HB3 :: 2.013 HG2 :: 1.585 HG3 :: 1.585 HD2 :: 1.709 HD3 :: 1.709 HE2 :: 2.925 HE3 :: 2.984 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 :: 116.225 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 178.813 CA :: 61.230 CB :: 38.780 CG1 :: 25.288 CG2 :: 17.246 CD1 :: 14.653 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 :: 7.590 HA :: 4.545 HB :: 2.096 HG12 :: 1.503 HG13 :: 1.328 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 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 :: 112.428 Ave N Shift Values>> N :: 121.46(4.28) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> CA :: 60.780 CB :: 65.470 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.558 HA :: 4.328 HB2 :: 3.928 HB3 :: 3.811 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 :: 123.805 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 110 #Clerical: 0 #Suspicious: 18 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 127 #Suspicious: 2 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 130 #Suspicious: 1 C Shift Results: #Consistent: 528 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 2 H Shift Results: #Consistent: 850 #Duplicate: 0 #Unknown: 0 #Suspicious: 24 #Anomalous: 1 N Shift Results: #Consistent: 137 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.S8 C = 181.225(S), Expected = 174.62, Std = 1.7200, ChiSquare = 1.2298e-04 1.Q16 H = 6.139(S), Expected = 8.22, Std = 0.5900, ChiSquare = 4.2011e-04 1.A18 HB1 = 0.342(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0579e-04 1.A18 HB2 = 0.342(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0579e-04 1.A18 HB3 = 0.342(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0579e-04 1.G26 C = 180.152(S), Expected = 173.87, Std = 1.8800, ChiSquare = 8.3330e-04 1.T33 C = 182.772(S), Expected = 174.54, Std = 1.7600, ChiSquare = 2.9072e-06 1.S34 C = 181.295(S), Expected = 174.62, Std = 1.7200, ChiSquare = 1.0411e-04 1.G36 C = 180.384(S), Expected = 173.87, Std = 1.8800, ChiSquare = 5.3044e-04 1.S40 C = 180.356(S), Expected = 174.62, Std = 1.7200, ChiSquare = 8.5335e-04 1.H43 CE1 = 129.586(S), Expected = 137.71, Std = 2.1200, ChiSquare = 1.2707e-04 1.H43 N = 133.201(S), Expected = 119.69, Std = 4.0000, ChiSquare = 7.3081e-04 1.T45 H = 11.804(A), Expected = 8.24, Std = 0.6200, ChiSquare = 9.0099e-09 1.T45 HG21 = 0.281(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8788e-04 1.T45 HG22 = 0.281(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8788e-04 1.T45 HG23 = 0.281(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8788e-04 1.Q60 HE22 = 8.508(S), Expected = 7.02, Std = 0.4400, ChiSquare = 7.2008e-04 1.D63 CB = 46.568(S), Expected = 40.88, Std = 1.6200, ChiSquare = 4.4624e-04 1.I65 HD11 = -0.575(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.5075e-05 1.I65 HD12 = -0.575(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.5075e-05 1.I65 HD13 = -0.575(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.5075e-05 1.F68 Typing: Mistyped 1.F68 CD2 = 115.549(A), Expected = 131.63, Std = 1.1200, ChiSquare = 9.4878e-47 1.F68 CE2 = 124.163(S), Expected = 130.76, Std = 1.1300, ChiSquare = 5.2814e-09 1.F68 CZ = 120.241(S), Expected = 129.21, Std = 1.4300, ChiSquare = 3.5638e-10 1.A70 HA = 1.859(S), Expected = 4.26, Std = 0.4400, ChiSquare = 4.8474e-08 1.A70 HB1 = -0.292(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.6949e-10 1.A70 HB2 = -0.292(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.6949e-10 1.A70 HB3 = -0.292(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.6949e-10 1.Y73 Typing: Suspicious 1.Y73 CD1 = 118.006(S), Expected = 132.77, Std = 1.1700, ChiSquare = 1.6633e-36 1.Y73 CE1 = 130.196(S), Expected = 117.93, Std = 1.1900, ChiSquare = 6.5132e-25 1.I77 HG21 = -1.080(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2900e-12 1.I77 HG22 = -1.080(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2900e-12 1.I77 HG23 = -1.080(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2900e-12 1.P104 HB3 = 0.221(S), Expected = 2.00, Std = 0.3600, ChiSquare = 7.7458e-07 1.F112 Typing: Suspicious 1.F112 CZ = 139.132(A), Expected = 129.21, Std = 1.4300, ChiSquare = 3.9639e-12 1.K120 HA = 2.571(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.1276e-04 1.K120 HB3 = 0.828(S), Expected = 1.74, Std = 0.2700, ChiSquare = 7.3074e-04 1.K120 HG3 = 0.265(S), Expected = 1.35, Std = 0.2800, ChiSquare = 1.0662e-04 1.K120 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K120 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.R122 HD2 = 2.117(S), Expected = 3.12, Std = 0.2400, ChiSquare = 2.9258e-05 1.R122 HE = 10.277(S), Expected = 7.40, Std = 0.6300, ChiSquare = 4.9554e-06