Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.104 CB :: 64.201 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.535 HB2 :: 3.830 HB3 :: 3.830 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 G 0.28 L 0.28 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.050 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.998 HA2 :: 3.978 HA3 :: 3.515 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.741 Ave N Shift Values>> N :: 109.91(4.29) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.624 CB :: 32.235 CG :: 26.962 CD :: 49.864 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.324 HB2 :: 2.506 HB3 :: 1.888 HG2 :: 2.117 HG3 :: 1.667 HD2 :: 3.704 HD3 :: 3.235 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.410 CA :: 57.701 CB :: 63.909 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.323 HA :: 4.512 HB2 :: 3.954 HB3 :: 3.729 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.299 Ave N Shift Values>> N :: 116.3(3.95) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.29 G 0.23 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.743 CA :: 43.924 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.439 HA2 :: 4.383 HA3 :: 3.951 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.797 Ave N Shift Values>> N :: 109.91(4.29) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 F 0.34 C Shift Assignments>> C :: 173.822 CA :: 52.513 CB :: 38.744 CD1 :: 133.940 CD2 :: 133.940 CE1 :: 131.967 CE2 :: 131.967 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.534 HA :: 5.519 HB2 :: 3.052 HB3 :: 2.790 HD1 :: 7.215 HD2 :: 7.215 HE1 :: 7.435 HE2 :: 7.435 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.246 Ave N Shift Values>> N :: 120.69(4.18) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.173 CA :: 63.707 CB :: 32.344 CG :: 29.352 CD :: 51.060 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.285 HB2 :: 2.792 HB3 :: 1.541 HG2 :: 1.806 HG3 :: 1.709 HD2 :: 4.454 HD3 :: 3.733 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 Q 0.17 E 0.11 K 0.01 C Shift Assignments>> C :: 175.349 CA :: 54.572 CB :: 32.848 CG :: 34.130 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.469 HA :: 4.511 HB2 :: 2.258 HB3 :: 1.754 HG2 :: 2.441 HG3 :: 2.441 HE21 :: 7.437 HE22 :: 6.710 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.555 NE2 :: 115.277 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 Y 0.14 E 0.13 F 0.08 D 0.08 M 0.05 K 0.01 I 0.01 L 0.01 C Shift Assignments>> C :: 174.770 CA :: 54.079 CB :: 37.343 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.978 HA :: 4.424 HB2 :: 3.074 HB3 :: 2.780 HD21 :: 8.070 HD22 :: 6.768 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.024 ND2 :: 114.771 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 R 0.27 K 0.07 G 0.01 C Shift Assignments>> C :: 177.001 CA :: 56.667 CB :: 41.720 CG :: 27.262 CD1 :: 24.286 CD2 :: 27.209 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.437 HA :: 5.062 HB2 :: 2.057 HB3 :: 1.233 HG :: 1.467 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.843 Ave N Shift Values>> N :: 121.98(4.07) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 C Shift Assignments>> C :: 171.333 CA :: 55.153 CB :: 30.515 CD2 :: 122.426 CE1 :: 137.401 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.492 HA :: 4.987 HB2 :: 3.253 HB3 :: 3.207 HD2 :: 6.878 HE1 :: 8.378 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.636 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.740 CA :: 61.771 CB :: 33.476 CG1 :: 22.067 CG2 :: 21.837 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.606 HA :: 4.663 HB :: 1.958 HG11 :: 1.065 HG12 :: 1.065 HG13 :: 1.065 HG21 :: 0.918 HG22 :: 0.918 HG23 :: 0.918 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.868 Ave N Shift Values>> N :: 121.02(4.96) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.913 CA :: 61.472 CB :: 68.725 CG2 :: 23.019 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.022 HA :: 4.516 HB :: 4.310 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.096 Ave N Shift Values>> N :: 115.7(5.05) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 170.720 CA :: 45.877 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.443 HA2 :: 4.177 HA3 :: 3.909 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.594 Ave N Shift Values>> N :: 109.91(4.29) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.37 C Shift Assignments>> C :: 175.350 CA :: 55.557 CB :: 46.554 CG :: 26.357 CD1 :: 26.221 CD2 :: 25.813 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.400 HA :: 4.803 HB2 :: 1.871 HB3 :: 1.665 HG :: 1.597 HD11 :: 0.981 HD12 :: 0.981 HD13 :: 0.981 HD21 :: 1.000 HD22 :: 1.000 HD23 :: 1.000 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.661 Ave N Shift Values>> N :: 121.98(4.07) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.986 CA :: 61.049 CB :: 71.081 CG2 :: 21.034 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.720 HA :: 4.900 HB :: 4.706 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.043 Ave N Shift Values>> N :: 115.7(5.05) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.110 CA :: 63.654 CB :: 69.834 CG2 :: 22.580 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.782 HA :: 4.657 HB :: 4.105 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.558 Ave N Shift Values>> N :: 115.7(5.05) 1.S23 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>> C :: 173.680 CA :: 57.212 CB :: 66.012 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.289 HA :: 4.717 HB2 :: 4.105 HB3 :: 3.537 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 107.116 Ave N Shift Values>> N :: 116.3(3.95) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 A 0.05 C Shift Assignments>> C :: 176.427 CA :: 58.656 CB :: 73.018 CG2 :: 21.845 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.174 HA :: 5.377 HB :: 3.946 HG21 :: 1.007 HG22 :: 1.007 HG23 :: 1.007 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.053 Ave N Shift Values>> N :: 115.7(5.05) 1.T25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 170.451 CA :: 63.619 CB :: 75.464(S) CG2 :: 21.861 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.180 HA :: 4.608 HB :: 3.605 HG21 :: 1.065 HG22 :: 1.065 HG23 :: 1.065 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.664 Ave N Shift Values>> N :: 115.7(5.05) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.27 K 0.08 Q 0.07 I 0.03 C Shift Assignments>> C :: 174.626 CA :: 55.751 CB :: 30.917 CG :: 36.123 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.197 HA :: 4.706 HB2 :: 1.813 HB3 :: 1.728 HG2 :: 2.102 HG3 :: 1.979 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 130.706 Ave N Shift Values>> N :: 120.68(3.68) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.27 A 0.06 C Shift Assignments>> C :: 176.770 CA :: 53.165 CB :: 47.693 CG :: 26.957 CD1 :: 27.229 CD2 :: 24.532 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.001 HA :: 5.273 HB2 :: 2.111 HB3 :: 1.523 HG :: 1.700 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.564 Ave N Shift Values>> N :: 121.98(4.07) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 A 0.16 M 0.1 K 0.1 R 0.01 P 0.01 C Shift Assignments>> C :: 174.523 CA :: 51.404 CB :: 23.304 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.640 HA :: 4.577 HB1 :: 0.906 HB2 :: 0.906 HB3 :: 0.906 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.531 Ave N Shift Values>> N :: 123.23(3.7) 1.W29 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.98 H 0.01 C Shift Assignments>> C :: 172.280 CA :: 56.948 CB :: 29.667 CD1 :: 125.062 CE3 :: 119.532 CZ2 :: 114.967 CZ3 :: 120.045 CH2 :: 123.345 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.581 HA :: 4.868 HB2 :: 3.324 HB3 :: 3.074 HD1 :: 6.460 HE1 :: 5.502(A) HE3 :: 6.768 HZ2 :: 6.908 HZ3 :: 6.439 HH2 :: 6.391 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 115.551 NE1 :: 123.477 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (HE1 > HD1 : 0.9930) (HE1 > HZ3 : 0.9924) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.27 R 0.11 N 0.09 G 0.07 K 0.07 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.846 CA :: 51.562 CB :: 42.533 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.276 HA :: 5.443 HB2 :: 2.822 HB3 :: 2.288 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.265 Ave N Shift Values>> N :: 120.73(4.2) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.905 CB :: 29.864 CG :: 28.043 CD :: 50.266 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.105 HB2 :: 2.566 HB3 :: 1.898 HG2 :: 2.104 HG3 :: 2.104 HD2 :: 3.927 HD3 :: 3.636 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.036 CB :: 30.840 CG :: 28.307 CD :: 50.345 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.580 HB2 :: 1.928 HB3 :: 1.468 HG2 :: 1.729 HG3 :: 1.516 HD2 :: 3.844 HD3 :: 3.518 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.553 CB :: 31.763 CG1 :: 21.519 CG2 :: 19.837 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.755 HA :: 3.994 HB :: 2.113 HG11 :: 0.954 HG12 :: 0.954 HG13 :: 0.954 HG21 :: 0.826 HG22 :: 0.826 HG23 :: 0.826 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.113 Ave N Shift Values>> N :: 121.02(4.96) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.11 G 0.04 C Shift Assignments>> CA :: 58.809 CB :: 42.426 CG :: 27.053 CD1 :: 24.425 CD2 :: 24.790 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.469 HA :: 3.768 HB2 :: 1.682 HB3 :: 1.598 HG :: 1.566 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 0.871 HD22 :: 0.871 HD23 :: 0.871 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.095 Ave N Shift Values>> N :: 121.98(4.07) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.36 C Shift Assignments>> CA :: 53.957 CB :: 19.056 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.586 HA :: 4.171 HB1 :: 1.388 HB2 :: 1.388 HB3 :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.010 Ave N Shift Values>> N :: 123.23(3.7) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.16 M 0.13 Q 0.1 I 0.04 C Shift Assignments>> CA :: 55.527 CB :: 29.845 CG :: 36.102 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.070 HA :: 4.305 HB2 :: 1.644 HB3 :: 1.644 HG2 :: 1.983 HG3 :: 1.929 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.604 Ave N Shift Values>> N :: 120.68(3.68) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 G 0.45 K 0.04 C Shift Assignments>> CA :: 60.050 CB :: 30.804 CG :: 28.646 CD :: 44.261 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> HA :: 3.758 HB2 :: 2.217 HB3 :: 1.874 HG2 :: 1.972 HG3 :: 1.252 HD2 :: 3.384 HD3 :: 3.165 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.198 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 Y 0.1 D 0.09 E 0.07 F 0.06 M 0.04 L 0.01 C Shift Assignments>> C :: 174.619 CA :: 53.287 CB :: 37.482 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.093 HA :: 4.291 HB2 :: 2.899 HB3 :: 2.581 HD21 :: 7.295 HD22 :: 6.746 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 109.319 ND2 :: 112.228 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.3 G 0.18 D 0.04 F 0.04 K 0.02 Y 0.02 C Shift Assignments>> C :: 172.138 CA :: 43.766 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.575 HA2 :: 4.320 HA3 :: 3.697 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.607 Ave N Shift Values>> N :: 109.91(4.29) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.18 G 0.13 C Shift Assignments>> C :: 176.395 CA :: 55.453 CB :: 30.999 CG :: 27.335 CD :: 43.453 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.180 HA :: 4.333 HB2 :: 1.720 HB3 :: 1.720 HG2 :: 1.640 HG3 :: 1.442 HD2 :: 3.216 HD3 :: 3.187 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.566 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 A 0.03 M 0.02 C Shift Assignments>> CA :: 59.279 CB :: 35.329 CG1 :: 27.310 CG2 :: 18.171 CD1 :: 10.511 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.991 HA :: 4.256 HB :: 2.102 HG12 :: 1.703 HG13 :: 1.320 HG21 :: 0.767 HG22 :: 0.767 HG23 :: 0.767 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.226 Ave N Shift Values>> N :: 121.6(4.72) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.R82 1.R82 C Shift Assignments>> C :: 175.959 CA :: 61.208 CB :: 39.771 CG1 :: 26.137 CG2 :: 18.013 CD1 :: 13.432 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.721 HA :: 4.475 HB :: 1.886 HG12 :: 1.278 HG13 :: 0.792 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.018 Ave N Shift Values>> N :: 121.6(4.72) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.232 CA :: 58.234 CB :: 64.287 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.425 HA :: 4.555 HB2 :: 3.600 HB3 :: 3.600 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.043 Ave N Shift Values>> N :: 116.3(3.95) 1.Y44 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.79 G 0.2 C Shift Assignments>> C :: 175.735 CA :: 57.137 CB :: 42.410 CD1 :: 132.701 CD2 :: 136.873(A) CE1 :: 116.370 CE2 :: 118.542 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.297 HA :: 5.741 HB2 :: 2.909 HB3 :: 2.750 HD1 :: 6.857 HD2 :: 7.368 HE1 :: 6.569 HE2 :: 6.648 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.157 Ave N Shift Values>> N :: 120.79(4.69) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.026 CA :: 61.853 CB :: 71.072 CG2 :: 22.808 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.778 HA :: 5.094 HB :: 3.886 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.801 Ave N Shift Values>> N :: 115.7(5.05) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.278 CA :: 61.137 CB :: 32.999 CG1 :: 21.696 CG2 :: 21.127 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.145 HA :: 4.244 HB :: 1.588 HG11 :: 0.685 HG12 :: 0.685 HG13 :: 0.685 HG21 :: 0.427 HG22 :: 0.427 HG23 :: 0.427 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.180 Ave N Shift Values>> N :: 121.02(4.96) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.023 CA :: 60.996 CB :: 33.488 CG1 :: 21.303 CG2 :: 21.539 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.041 HA :: 5.004 HB :: 1.722 HG11 :: 0.792 HG12 :: 0.792 HG13 :: 0.792 HG21 :: 0.787 HG22 :: 0.787 HG23 :: 0.787 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.169 Ave N Shift Values>> N :: 121.02(4.96) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 G 0.35 C Shift Assignments>> C :: 173.210 CA :: 54.702 CB :: 43.316 CD1 :: 131.974 CD2 :: 131.974 CE1 :: 132.062 CE2 :: 132.062 CZ :: 130.937 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.169 HA :: 6.209 HB2 :: 2.898 HB3 :: 2.671 HD1 :: 6.842 HD2 :: 6.842 HE1 :: 7.100 HE2 :: 7.100 HZ :: 7.302 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.753 Ave N Shift Values>> N :: 120.69(4.18) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 G 0.26 R 0.19 C Shift Assignments>> C :: 175.280 CA :: 54.801 CB :: 35.242 CG :: 26.157 CD :: 43.159 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.693 HA :: 4.817 HB2 :: 1.856 HB3 :: 1.567 HG2 :: 1.520 HG3 :: 1.250 HD2 :: 3.228 HD3 :: 2.749 HE :: 7.490 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.793 NE :: 84.060 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.23 L 0.15 F 0.08 Y 0.07 K 0.06 C Shift Assignments>> C :: 178.592 CA :: 53.498 CB :: 40.543 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.820 HA :: 4.029 HB2 :: 2.666 HB3 :: 2.430 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.720 Ave N Shift Values>> N :: 120.73(4.2) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.905 CA :: 64.569 CB :: 38.126 CG1 :: 26.669 CG2 :: 18.641 CD1 :: 14.314 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.315 HA :: 3.892 HB :: 1.821 HG12 :: 1.289 HG13 :: 1.226 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.642 Ave N Shift Values>> N :: 121.6(4.72) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.25 Y 0.12 F 0.1 L 0.06 E 0.01 C Shift Assignments>> C :: 174.645 CA :: 53.851 CB :: 39.032 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.677 HA :: 4.760 HB2 :: 2.883 HB3 :: 2.654 HD21 :: 8.088 HD22 :: 6.942 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.201 ND2 :: 115.405 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.861 CA :: 56.702 CB :: 65.730 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.409 HA :: 4.663 HB2 :: 3.902 HB3 :: 3.838 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.494 Ave N Shift Values>> N :: 116.3(3.95) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.33 E 0.15 R 0.07 M 0.06 C Shift Assignments>> C :: 175.789 CA :: 55.857 CB :: 28.847 CG :: 33.977 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.489 HA :: 4.329 HB2 :: 2.251 HB3 :: 1.909 HG2 :: 2.325 HG3 :: 2.325 HE21 :: 7.511 HE22 :: 6.780 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.700 NE2 :: 113.054 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.32 E 0.13 M 0.1 R 0.07 C Shift Assignments>> C :: 174.076 CA :: 55.689 CB :: 29.352 CG :: 33.670 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.108 HA :: 4.269 HB2 :: 1.975 HB3 :: 1.885 HG2 :: 2.190 HG3 :: 2.190 HE21 :: 7.403 HE22 :: 6.714 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.355 NE2 :: 110.869 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.29 I 0.05 K 0.01 C Shift Assignments>> C :: 175.058 CA :: 55.594 CB :: 31.640 CG :: 37.373 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.603 HA :: 4.372 HB2 :: 1.769 HB3 :: 1.769 HG2 :: 2.058 HG3 :: 1.924 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.250 Ave N Shift Values>> N :: 120.68(3.68) 1.L57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.58 G 0.23 R 0.15 A 0.02 C Shift Assignments>> C :: 174.850 CA :: 53.780 CB :: 43.903 CG :: 27.932 CD1 :: 25.407 CD2 :: 23.667 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.520 HA :: 4.458 HB2 :: 1.006 HB3 :: 0.268(S) HG :: 1.361 HD11 :: 0.786 HD12 :: 0.786 HD13 :: 0.786 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.205 Ave N Shift Values>> N :: 121.98(4.07) 1.Q58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.74 Q 0.17 E 0.06 K 0.01 HN Overlap>> 1.S89 1.S89 C Shift Assignments>> C :: 175.948 CA :: 53.944 CB :: 32.786 CG :: 33.553 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.992 HA :: 5.865(S) HB2 :: 1.924 HB3 :: 1.787 HG2 :: 2.192 HG3 :: 2.192 HE21 :: 7.570 HE22 :: 6.913 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.562 NE2 :: 112.841 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N59 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.11 R 0.02 D 0.01 C Shift Assignments>> C :: 172.790 CA :: 53.023 CB :: 45.541(S) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.073 HA :: 5.068 HB2 :: 2.445 HB3 :: 1.846 HD21 :: 7.426 HD22 :: 7.099 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.984 ND2 :: 109.455 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.088 CA :: 59.853 CB :: 40.891 CG1 :: 27.446 CG2 :: 17.464 CD1 :: 13.698 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.491 HA :: 5.147 HB :: 1.632 HG12 :: 1.428 HG13 :: 1.030 HG21 :: 0.782 HG22 :: 0.782 HG23 :: 0.782 HD11 :: 0.643 HD12 :: 0.643 HD13 :: 0.643 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.480 Ave N Shift Values>> N :: 121.6(4.72) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 A 0.01 C Shift Assignments>> C :: 172.097 CA :: 59.905 CB :: 69.505 CG2 :: 18.806 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.755 HA :: 4.976 HB :: 4.348 HG21 :: 1.395 HG22 :: 1.395 HG23 :: 1.395 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.083 Ave N Shift Values>> N :: 115.7(5.05) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.386 CA :: 62.440 CB :: 69.355 CG2 :: 21.689 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.325 HA :: 4.641 HB :: 4.578 HG21 :: 1.361 HG22 :: 1.361 HG23 :: 1.361 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.077 Ave N Shift Values>> N :: 115.7(5.05) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.2 D 0.16 G 0.16 K 0.04 F 0.03 N 0.02 Y 0.02 C Shift Assignments>> C :: 172.906 CA :: 52.981 CB :: 43.465 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.611 HA :: 4.962 HB2 :: 2.971 HB3 :: 2.780 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.713 Ave N Shift Values>> N :: 120.73(4.2) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.69 T 0.29 A 0.01 C Shift Assignments>> C :: 172.176 CA :: 59.078 CB :: 66.137 CG2 :: 21.462 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.925 HA :: 3.088 HB :: 4.136 HG21 :: 0.874 HG22 :: 0.874 HG23 :: 0.874 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 104.287 Ave N Shift Values>> N :: 115.7(5.05) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 K 0.32 G 0.18 C Shift Assignments>> C :: 174.862 CA :: 54.132 CB :: 32.928 CG :: 26.043 CD :: 43.388 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.387 HA :: 4.221 HB2 :: 1.571 HB3 :: 1.443 HG2 :: 1.272 HG3 :: 1.272 HD2 :: 2.949 HD3 :: 2.949 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.062 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 F 0.39 C Shift Assignments>> C :: 172.804 CA :: 59.536 CB :: 44.469 CD1 :: 130.975 CD2 :: 130.975 CE1 :: 131.766 CE2 :: 131.766 CZ :: 130.198 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.177 HA :: 4.373 HB2 :: 3.498 HB3 :: 2.519 HD1 :: 7.093 HD2 :: 7.093 HE1 :: 7.337 HE2 :: 7.337 HZ :: 7.317 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.991 Ave N Shift Values>> N :: 120.69(4.18) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.910 CA :: 61.261 CB :: 69.260 CG2 :: 21.229 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.332 HA :: 4.628 HB :: 3.548 HG21 :: 0.792 HG22 :: 0.792 HG23 :: 0.792 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.294 Ave N Shift Values>> N :: 115.7(5.05) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 A 0.15 G 0.04 R 0.03 C Shift Assignments>> C :: 176.337 CA :: 54.394 CB :: 42.394 CG :: 26.076 CD1 :: 22.349 CD2 :: 24.756 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.776 HA :: 4.192 HB2 :: 1.504 HB3 :: 0.740 HG :: 1.398 HD11 :: 0.116 HD12 :: 0.116 HD13 :: 0.116 HD21 :: 0.172 HD22 :: 0.172 HD23 :: 0.172 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.969 Ave N Shift Values>> N :: 121.98(4.07) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.856 CA :: 59.694 CB :: 71.829 CG2 :: 21.278 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.921 HA :: 4.814 HB :: 4.155 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.246 Ave N Shift Values>> N :: 115.7(5.05) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 175.589 CA :: 46.178 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.894 HA2 :: 3.930 HA3 :: 3.809 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.415 Ave N Shift Values>> N :: 109.91(4.29) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 L 0.12 C Shift Assignments>> C :: 175.422 CA :: 53.429 CB :: 40.650 CG :: 25.974 CD1 :: 25.128 CD2 :: 19.681 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.341 HA :: 4.195 HB2 :: 1.386 HB3 :: 0.969 HG :: 0.866 HD11 :: -0.025 HD12 :: -0.025 HD13 :: -0.025 HD21 :: 0.010 HD22 :: 0.010 HD23 :: 0.010 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.621 Ave N Shift Values>> N :: 121.98(4.07) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.24 M 0.04 G 0.01 C Shift Assignments>> C :: 174.599 CA :: 53.851 CB :: 33.619 CG :: 24.944 CD :: 29.474 CE :: 42.083 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.298 HA :: 4.631 HB2 :: 1.819 HB3 :: 1.819 HG2 :: 1.642 HG3 :: 1.529 HD2 :: 1.721 HD3 :: 1.721 HE2 :: 3.013 HE3 :: 3.013 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.340 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.198 CA :: 62.897 CB :: 33.198 CG :: 27.457 CD :: 50.885 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.086 HB2 :: 2.493 HB3 :: 1.931 HG2 :: 2.007 HG3 :: 1.924 HD2 :: 3.938 HD3 :: 3.558 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.16 F 0.08 N 0.08 Y 0.07 R 0.05 C Shift Assignments>> C :: 174.390 CA :: 54.343 CB :: 41.393 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.537 HA :: 4.290 HB2 :: 3.079 HB3 :: 1.986 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.834 Ave N Shift Values>> N :: 120.73(4.2) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.076 CA :: 63.087 CB :: 71.822 CG2 :: 19.728 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.197 HA :: 4.316 HB :: 3.918 HG21 :: 0.669 HG22 :: 0.669 HG23 :: 0.669 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.905 Ave N Shift Values>> N :: 115.7(5.05) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.308 CA :: 63.197 CB :: 68.333 CG2 :: 22.183 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.606 HA :: 4.641 HB :: 3.889 HG21 :: 1.053 HG22 :: 1.053 HG23 :: 1.053 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.170 Ave N Shift Values>> N :: 115.7(5.05) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.065 CA :: 57.443 CB :: 41.115 CD1 :: 132.990 CD2 :: 132.990 CE1 :: 118.543 CE2 :: 118.543 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.230 HA :: 5.084 HB2 :: 2.743 HB3 :: 2.641 HD1 :: 7.038 HD2 :: 7.038 HE1 :: 6.898 HE2 :: 6.898 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.729 Ave N Shift Values>> N :: 120.79(4.69) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.22 R 0.08 D 0.03 F 0.01 HN Overlap>> 1.A83 1.A83 C Shift Assignments>> C :: 176.268 CA :: 53.565 CB :: 44.874 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.222 HA :: 5.288 HB2 :: 2.721 HB3 :: 2.361 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.016 Ave N Shift Values>> N :: 120.73(4.2) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 G 0.02 C Shift Assignments>> C :: 172.968 CA :: 61.102 CB :: 41.830 CG1 :: 27.975 CG2 :: 18.867 CD1 :: 15.132 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.210 HA :: 5.027 HB :: 1.448 HG12 :: 1.611 HG13 :: 0.779 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.527 Ave N Shift Values>> N :: 121.6(4.72) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.15 M 0.05 G 0.05 A 0.01 C Shift Assignments>> C :: 173.716 CA :: 54.749 CB :: 37.864 CG :: 24.493 CD :: 30.611 CE :: 42.196 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.930 HA :: 4.282 HB2 :: 1.706 HB3 :: 1.532 HG2 :: 1.356 HG3 :: 1.152 HD2 :: 1.585 HD3 :: 1.509 HE2 :: 2.860 HE3 :: 2.860 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.620 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.02 I 0.01 C Shift Assignments>> C :: 174.099 CA :: 59.228 CB :: 36.108 CG1 :: 20.424 CG2 :: 20.814 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.070 HA :: 5.365 HB :: 1.082 HG11 :: 0.051 HG12 :: 0.051 HG13 :: 0.051 HG21 :: -0.065 HG22 :: -0.065 HG23 :: -0.065 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.045 Ave N Shift Values>> N :: 121.02(4.96) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 K 0.21 R 0.09 A 0.01 HN Overlap>> 1.I42 1.I42 C Shift Assignments>> C :: 172.874 CA :: 53.552 CB :: 34.521 CG :: 24.790 CD :: 43.915 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.733 HA :: 4.984 HB2 :: 1.760 HB3 :: 1.417 HG2 :: 1.627 HG3 :: 1.287 HD2 :: 2.977 HD3 :: 2.944 HE :: 7.082 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.032 NE :: 80.300 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 A 0.18 K 0.08 M 0.08 P 0.07 R 0.01 HN Overlap>> 1.D78 1.D78 C Shift Assignments>> C :: 174.998 CA :: 50.383 CB :: 23.472 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.221 HA :: 5.132 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.044 Ave N Shift Values>> N :: 123.23(3.7) 1.W84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.94 H 0.05 C Shift Assignments>> C :: 177.430 CA :: 56.807 CB :: 31.235 CD1 :: 126.818 CE3 :: 120.431 CZ2 :: 114.145 CZ3 :: 121.973 CH2 :: 124.470 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.387 HA :: 5.020 HB2 :: 3.182 HB3 :: 2.795 HD1 :: 6.732 HE1 :: 10.442 HE3 :: 7.468 HZ2 :: 7.353 HZ3 :: 7.093 HH2 :: 7.140 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 117.779 NE1 :: 130.135 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.429 CA :: 59.958 CB :: 72.646 CG2 :: 21.690 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.698 HA :: 5.190 HB :: 4.717 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.404 Ave N Shift Values>> N :: 115.7(5.05) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.834 CA :: 61.014 CB :: 62.807 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.765 HA :: 4.242 HB2 :: 4.076 HB3 :: 3.951 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.745 Ave N Shift Values>> N :: 116.3(3.95) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.29 M 0.02 G 0.02 C Shift Assignments>> C :: 176.373 CA :: 55.857 CB :: 33.386 CG :: 25.218 CD :: 28.549 CE :: 42.280 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.947 HA :: 4.426 HB2 :: 1.840 HB3 :: 1.472 HG2 :: 1.474 HG3 :: 1.353 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.979 HE3 :: 2.979 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.254 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.07 F 0.01 C Shift Assignments>> C :: 171.366 CA :: 45.006 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.400 HA2 :: 4.446 HA3 :: 3.990 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.086 Ave N Shift Values>> N :: 109.91(4.29) 1.S89 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q58 1.Q58 C Shift Assignments>> CA :: 56.522 CB :: 63.965 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.048 HA :: 3.899 HB2 :: 2.618(S) HB3 :: 1.340(A) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.549 Ave N Shift Values>> N :: 116.3(3.95) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.24 R 0.21 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.399 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.282 HA2 :: 4.637 HA3 :: 3.696 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.030 Ave N Shift Values>> N :: 109.91(4.29) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.760 CA :: 62.229 CB :: 32.367 CG :: 27.127 CD :: 49.612 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.448 HB2 :: 2.296 HB3 :: 1.953 HG2 :: 1.982 HG3 :: 1.690 HD2 :: 3.415 HD3 :: 3.244 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 R 0.21 G 0.09 C Shift Assignments>> C :: 176.841 CA :: 55.163 CB :: 43.188 CG :: 27.294 CD1 :: 25.867 CD2 :: 24.820 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.373 HA :: 4.110 HB2 :: 1.563 HB3 :: 1.370 HG :: 1.416 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 HD21 :: 0.673 HD22 :: 0.673 HD23 :: 0.673 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.096 Ave N Shift Values>> N :: 121.98(4.07) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.637 CA :: 56.900 CB :: 62.923 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.629 HA :: 3.683 HB2 :: 4.141 HB3 :: 3.870 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.072 Ave N Shift Values>> N :: 116.3(3.95) 1.P94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.093 CA :: 63.309 CB :: 31.463 CG :: 27.720 CD :: 49.383 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.330 HB2 :: 2.286 HB3 :: 1.669 HG2 :: 1.898 HG3 :: 1.641 HD2 :: 2.855 HD3 :: 1.912(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S95 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 :: 176.215 CA :: 58.955 CB :: 64.884 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.722 HA :: 4.923 HB2 :: 3.695 HB3 :: 3.644 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.184 Ave N Shift Values>> N :: 116.3(3.95) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.546 CA :: 59.782 CB :: 40.995 CG1 :: 26.191 CG2 :: 17.701 CD1 :: 15.043 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.915 HA :: 4.609 HB :: 1.878 HG12 :: 1.184 HG13 :: 0.917 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.463 Ave N Shift Values>> N :: 121.6(4.72) 1.Q97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.39 Q 0.26 E 0.22 K 0.1 C Shift Assignments>> C :: 176.173 CA :: 54.361 CB :: 31.102 CG :: 34.604 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.292 HA :: 5.849(S) HB2 :: 1.940 HB3 :: 1.672 HG2 :: 2.341 HG3 :: 2.282 HE21 :: 7.738 HE22 :: 6.623 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.686 NE2 :: 111.887 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.310 CA :: 57.019 CB :: 64.588 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.751 HA :: 4.618 HB2 :: 3.506 HB3 :: 3.414 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.969 Ave N Shift Values>> N :: 116.3(3.95) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 G 0.43 K 0.08 C Shift Assignments>> C :: 176.394 CA :: 53.705 CB :: 32.853 CG :: 27.158 CD :: 44.024 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.519 HA :: 5.627 HB2 :: 1.748 HB3 :: 1.535 HG2 :: 1.831 HG3 :: 1.226 HD2 :: 2.991 HD3 :: 2.968 HE :: 6.750 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 132.343 NE :: 85.875 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.465 CA :: 61.701 CB :: 69.515 CG2 :: 25.083 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.808 HA :: 4.182 HB :: 4.745 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.147 Ave N Shift Values>> N :: 115.7(5.05) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.36 C Shift Assignments>> C :: 174.574 CA :: 54.324 CB :: 32.235 CG :: 32.330 CE :: 17.187 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.254 HA :: 4.504 HB2 :: 2.547 HB3 :: 2.455 HG2 :: 2.261 HG3 :: 1.379 HE1 :: 2.126 HE2 :: 2.126 HE3 :: 2.126 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.475 Ave N Shift Values>> N :: 120.1(3.88) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.553 CB :: 32.011 CG :: 26.937 CD :: 49.821 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.647 HB2 :: 2.078 HB3 :: 2.004 HG2 :: 1.997 HG3 :: 1.997 HD2 :: 3.921 HD3 :: 3.631 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 64.201 CB :: 32.565 CG1 :: 21.577 CG2 :: 20.863 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.823 HA :: 3.898 HB :: 2.030 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.205 Ave N Shift Values>> N :: 121.02(4.96) ########################################################################### Overall Results: #Consistent: 94 #Clerical: 0 #Suspicious: 5 #Anomalous: 3 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 97 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 102 #Suspicious: 1 C Shift Results: #Consistent: 419 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 H Shift Results: #Consistent: 681 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 2 N Shift Results: #Consistent: 103 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T25 CB = 75.464(S), Expected = 69.64, Std = 1.7000, ChiSquare = 6.1281e-04 1.W29 HE1 = 5.502(A), Expected = 10.13, Std = 0.5300, ChiSquare = 2.5004e-18 1.W29 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.W29 SRO Rule Break>> HE1 > HZ3 : 0.992378048780488 1.Y44 CD2 = 136.873(A), Expected = 132.26, Std = 1.9900, ChiSquare = 2.0444e-02 1.L57 HB3 = 0.268(S), Expected = 1.57, Std = 0.3600, ChiSquare = 2.9842e-04 1.Q58 HA = 5.865(S), Expected = 4.28, Std = 0.4400, ChiSquare = 3.1545e-04 1.N59 Typing: Mistyped 1.N59 CB = 45.541(S), Expected = 38.66, Std = 1.7800, ChiSquare = 1.1076e-04 1.S89 HB2 = 2.618(S), Expected = 3.88, Std = 0.2900, ChiSquare = 1.3507e-05 1.S89 HB3 = 1.340(A), Expected = 3.87, Std = 0.3100, ChiSquare = 3.3146e-16 1.P94 HD3 = 1.912(S), Expected = 3.63, Std = 0.4000, ChiSquare = 1.7469e-05 1.Q97 HA = 5.849(S), Expected = 4.28, Std = 0.4400, ChiSquare = 3.6260e-04