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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.863 CA :: 58.340 CB :: 63.898 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.533 HB2 :: 3.872 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.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.005 CA :: 58.690 CB :: 63.773 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.505 HA :: 4.465 HB2 :: 3.891 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 :: 117.919 Ave N Shift Values>> N :: 116.3(3.95) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.134 CA :: 45.424 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.400 HA2 :: 3.950 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.754 Ave N Shift Values>> N :: 109.91(4.29) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.1 K 0.07 Q 0.04 I 0.04 C Shift Assignments>> C :: 176.990 CA :: 56.651 CB :: 30.332 CG :: 36.253 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 :: 8.295 HA :: 4.300 HB2 :: 2.058 HB3 :: 1.919 HG2 :: 2.226 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 :: 120.440 Ave N Shift Values>> N :: 120.68(3.68) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.323 CA :: 45.518 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.499 HA2 :: 3.947 HA3 :: 3.947 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.889 Ave N Shift Values>> N :: 109.91(4.29) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.27 R 0.07 A 0.02 G 0.02 C Shift Assignments>> C :: 177.196 CA :: 55.123 CB :: 42.308 CG :: 26.884 CD1 :: 25.105 CD2 :: 23.324 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 :: 8.057 HA :: 4.321 HB2 :: 1.560 HB3 :: 1.446 HG :: 1.532 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 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 :: 121.136 Ave N Shift Values>> N :: 121.98(4.07) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.17 C 0.11 K 0.11 F 0.1 N 0.1 Y 0.08 R 0.02 HN Overlap>> 1.D69 1.D69 C Shift Assignments>> C :: 175.810 CA :: 54.655 CB :: 40.898 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 :: 8.324 HA :: 4.492 HB2 :: 2.584 HB3 :: 2.507 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 :: 120.154 Ave N Shift Values>> N :: 120.73(4.2) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 175.158 CA :: 57.518 CB :: 38.543 CD1 :: 133.228 CD2 :: 133.228 CE1 :: 118.421 CE2 :: 118.421 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 :: 7.833 HA :: 4.541 HB2 :: 3.038 HB3 :: 2.932 HD1 :: 7.085 HD2 :: 7.085 HE1 :: 6.820 HE2 :: 6.820 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 :: 118.796 Ave N Shift Values>> N :: 120.79(4.69) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.26 G 0.06 R 0.06 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> C :: 176.329 CA :: 55.134 CB :: 43.006 CG :: 26.736 CD1 :: 24.823 CD2 :: 24.401 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 :: 7.903 HA :: 4.325 HB2 :: 1.526 HB3 :: 1.526 HG :: 1.461 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 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 :: 123.092 Ave N Shift Values>> N :: 121.98(4.07) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.436 CA :: 60.389 CB :: 70.704 CG2 :: 21.326 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 :: 7.775 HA :: 4.346 HB :: 4.072 HG21 :: 1.164 HG22 :: 1.164 HG23 :: 1.164 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 :: 115.296 Ave N Shift Values>> N :: 115.7(5.05) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.25 C 0.01 C Shift Assignments>> C :: 173.952 CA :: 51.073 CB :: 16.528 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.320 HA :: 4.267 HB1 :: 1.187 HB2 :: 1.187 HB3 :: 1.187 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.129 Ave N Shift Values>> N :: 123.23(3.7) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 175.745 CA :: 62.494 CB :: 32.664 CG :: 27.580 CD :: 50.094 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 :: 4.262 HB2 :: 2.142 HB3 :: 1.662 HG2 :: 1.633 HG3 :: 1.559 HD2 :: 3.613 HD3 :: 2.821 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.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 C 0.29 M 0.04 Y 0.03 E 0.03 D 0.03 F 0.02 K 0.01 C Shift Assignments>> C :: 173.588 CA :: 51.562 CB :: 36.755 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 :: 8.951 HA :: 4.801 HB2 :: 2.781 HB3 :: 2.662 HD21 :: 6.987 HD22 :: 8.422 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 :: 119.392 ND2 :: 115.350 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P18 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>> CA :: 61.314 CB :: 30.932 CG :: 28.223 CD :: 49.900 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 :: 4.246 HB2 :: 1.881 HB3 :: 2.342 HG2 :: 1.958 HG3 :: 2.281 HD2 :: 3.667 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.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 175.051 CA :: 62.272 CB :: 32.439 CG :: 28.526 CD :: 50.149 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 :: 4.944 HB2 :: 2.269 HB3 :: 1.504 HG2 :: 1.922 HG3 :: 1.849 HD2 :: 3.418 HD3 :: 3.973 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.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.668 CA :: 57.345 CB :: 64.759 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.594 HA :: 4.815 HB2 :: 3.807 HB3 :: 3.749 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 :: 113.352 Ave N Shift Values>> N :: 116.3(3.95) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.22 HN Overlap>> 1.E23 1.E23 C Shift Assignments>> C :: 176.258 CA :: 62.833 CB :: 37.090 CG1 :: 30.101 CG2 :: 17.714 CD1 :: 13.746 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 :: 9.003 HA :: 4.310 HB :: 2.124 HG12 :: 1.770 HG13 :: 0.888 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 HD11 :: 0.886 HD12 :: 0.886 HD13 :: 0.886 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 :: 127.536 Ave N Shift Values>> N :: 121.6(4.72) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.26 C 0.21 R 0.17 G 0.05 C Shift Assignments>> C :: 176.568 CA :: 52.939 CB :: 28.667 CG :: 25.409 CD :: 42.785 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 :: 8.400 HA :: 4.707 HB2 :: 1.581 HB3 :: 1.782 HG2 :: 1.656 HG3 :: 1.656 HD2 :: 3.144 HD3 :: 3.041 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 :: 128.753 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.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.31 E 0.21 K 0.01 M 0.01 HN Overlap>> 1.I21 1.I21 C Shift Assignments>> C :: 178.313 CA :: 61.280 CB :: 29.808 CG :: 36.806 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 :: 8.950 HA :: 4.076 HB2 :: 2.100 HB3 :: 2.100 HG2 :: 2.335 HG3 :: 2.259 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 :: 127.446 Ave N Shift Values>> N :: 120.68(3.68) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.25 I 0.14 K 0.13 Q 0.08 R 0.01 C Shift Assignments>> C :: 176.833 CA :: 58.436 CB :: 27.875 CG :: 35.711 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 :: 10.121 HA :: 4.273 HB2 :: 2.085 HB3 :: 2.027 HG2 :: 2.405 HG3 :: 2.099 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 :: 118.349 Ave N Shift Values>> N :: 120.68(3.68) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.22 A 0.15 R 0.06 G 0.03 C Shift Assignments>> C :: 177.093 CA :: 54.097 CB :: 42.698 CG :: 27.062 CD1 :: 24.966 CD2 :: 21.889 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 :: 7.533 HA :: 4.268 HB2 :: 0.889 HB3 :: 1.436 HG :: 1.297 HD11 :: 0.584 HD12 :: 0.584 HD13 :: 0.584 HD21 :: 0.591 HD22 :: 0.591 HD23 :: 0.591 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 :: 118.799 Ave N Shift Values>> N :: 121.98(4.07) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 W 0.15 C 0.15 E 0.1 K 0.08 R 0.07 Q 0.06 H 0.06 V 0.04 P 0.01 M 0.01 C Shift Assignments>> C :: 174.619 CA :: 60.435 CB :: 29.069 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.216 HA :: 4.688 HB2 :: 3.235 HB3 :: 2.759 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.033 Ave N Shift Values>> N :: 119.95(4.79) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 172.326 CA :: 60.263 CB :: 71.986 CG2 :: 21.546 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 :: 8.333 HA :: 4.738 HB :: 4.204 HG21 :: 1.098 HG22 :: 1.098 HG23 :: 1.098 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 :: 113.793 Ave N Shift Values>> N :: 115.7(5.05) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.19 K 0.15 P 0.06 R 0.04 M 0.03 A 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 176.933 CA :: 51.686 CB :: 24.445 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.506 HA :: 5.165 HB1 :: 1.566 HB2 :: 1.566 HB3 :: 1.566 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.653 Ave N Shift Values>> N :: 123.23(3.7) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.723 CA :: 56.329 CB :: 64.899 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.696 HA :: 5.009 HB2 :: 4.330 HB3 :: 3.880 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 :: 117.582 Ave N Shift Values>> N :: 116.3(3.95) 1.H30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 H 0.34 W 0.25 C Shift Assignments>> C :: 175.170 CA :: 58.009 CB :: 30.193 CD2 :: 118.167 CE1 :: 139.999 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 :: 8.624 HA :: 4.971 HB2 :: 3.041 HB3 :: 2.769 HD2 :: 6.979 HE1 :: 7.770 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 :: 119.078 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.2 N 0.12 C 0.11 K 0.09 R 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.291 CA :: 52.674 CB :: 41.672 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 :: 7.318 HA :: 4.457 HB2 :: 2.983 HB3 :: 2.251 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 :: 115.312 Ave N Shift Values>> N :: 120.73(4.2) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 T 0.39 A 0.01 C Shift Assignments>> C :: 173.101 CA :: 59.542 CB :: 73.630 CG2 :: 21.240 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 :: 6.979 HA :: 5.310 HB :: 3.648 HG21 :: 0.828 HG22 :: 0.828 HG23 :: 0.828 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 :: 111.025 Ave N Shift Values>> N :: 115.7(5.05) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 I 0.32 G 0.21 C Shift Assignments>> C :: 174.636 CA :: 61.452 CB :: 43.426 CG1 :: 29.372 CG2 :: 18.057 CD1 :: 14.240 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 :: 7.815 HA :: 4.529 HB :: 1.066 HG12 :: 1.439 HG13 :: 0.911 HG21 :: 0.469 HG22 :: 0.469 HG23 :: 0.469 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 :: 120.584 Ave N Shift Values>> N :: 121.6(4.72) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 172.580 CA :: 62.282 CB :: 69.100 CG2 :: 21.106 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 :: 9.031 HA :: 4.829 HB :: 4.104 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 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 :: 125.003 Ave N Shift Values>> N :: 115.7(5.05) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.45 C Shift Assignments>> C :: 174.044 CA :: 60.204 CB :: 33.905 CG1 :: 22.327 CG2 :: 21.665 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 :: 8.494 HA :: 4.450 HB :: 1.890 HG11 :: 0.878 HG12 :: 0.878 HG13 :: 0.878 HG21 :: 0.209 HG22 :: 0.209 HG23 :: 0.209 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 :: 126.765 Ave N Shift Values>> N :: 121.02(4.96) 1.H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 Y 0.1 H 0.05 W 0.04 C Shift Assignments>> C :: 175.009 CA :: 55.341 CB :: 36.313 CD2 :: 118.803 CE1 :: 136.699 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 :: 7.184 HA :: 4.766 HB2 :: 2.938 HB3 :: 2.631 HD2 :: 6.529 HE1 :: 7.190 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 :: 124.774 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.W37 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.54 W 0.45 C Shift Assignments>> C :: 173.231 CA :: 55.963 CB :: 32.400 CD1 :: 124.586 CE3 :: 119.827 CZ2 :: 115.013 CZ3 :: 121.378 CH2 :: 122.629 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 :: 8.243 HA :: 5.544 HB2 :: 3.060 HB3 :: 2.734 HD1 :: 6.254 HE1 :: 5.768(A) HE3 :: 6.809 HZ2 :: 7.011 HZ3 :: 6.594 HH2 :: 6.658 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 :: 119.137 NE1 :: 124.908 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.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.46 G 0.04 C Shift Assignments>> C :: 174.727 CA :: 59.429 CB :: 42.523 CG1 :: 27.843 CG2 :: 17.222 CD1 :: 13.689 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 :: 8.838 HA :: 4.824 HB :: 1.782 HG12 :: 1.552 HG13 :: 1.166 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 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 :: 115.817 Ave N Shift Values>> N :: 121.6(4.72) 1.S39 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 :: 173.877 CA :: 57.698 CB :: 65.383 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.672 HA :: 4.968 HB2 :: 4.019 HB3 :: 3.658 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 :: 121.131 Ave N Shift Values>> N :: 116.3(3.95) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.16 C 0.12 F 0.12 Y 0.11 K 0.1 N 0.09 R 0.01 I 0.01 C Shift Assignments>> C :: 176.216 CA :: 55.147 CB :: 40.666 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 :: 8.866 HA :: 4.548 HB2 :: 2.725 HB3 :: 2.725 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 :: 124.188 Ave N Shift Values>> N :: 120.73(4.2) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.26 C 0.13 Y 0.07 L 0.06 F 0.06 C Shift Assignments>> C :: 176.554 CA :: 53.018 CB :: 39.556 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 :: 8.776 HA :: 4.632 HB2 :: 2.602 HB3 :: 2.503 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 :: 120.156 Ave N Shift Values>> N :: 120.73(4.2) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.13 K 0.07 M 0.05 Q 0.05 C Shift Assignments>> C :: 177.222 CA :: 59.271 CB :: 30.037 CG :: 35.916 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 :: 7.932 HA :: 3.887 HB2 :: 2.031 HB3 :: 1.909 HG2 :: 2.137 HG3 :: 2.016 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 :: 120.124 Ave N Shift Values>> N :: 120.68(3.68) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 C 0.34 Y 0.22 HN Overlap>> 1.S63 1.S63 C Shift Assignments>> C :: 176.219 CA :: 58.589 CB :: 38.605 CD1 :: 131.694 CD2 :: 131.694 CE1 :: 131.658 CE2 :: 131.658 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 :: 7.944 HA :: 4.577 HB2 :: 3.210 HB3 :: 3.098 HD1 :: 7.302 HD2 :: 7.302 HE1 :: 7.372 HE2 :: 7.372 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 :: 116.277 Ave N Shift Values>> N :: 120.69(4.18) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.740 CA :: 58.197 CB :: 63.992 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.989 HA :: 4.405 HB2 :: 3.885 HB3 :: 3.768 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 :: 114.452 Ave N Shift Values>> N :: 116.3(3.95) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.32 C Shift Assignments>> C :: 176.230 CA :: 60.758 CB :: 38.795 CG1 :: 27.849 CG2 :: 17.763 CD1 :: 12.629 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 :: 7.566 HA :: 3.928 HB :: 1.810 HG12 :: 1.452 HG13 :: 1.084 HG21 :: 0.340 HG22 :: 0.340 HG23 :: 0.340 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 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 :: 122.799 Ave N Shift Values>> N :: 121.6(4.72) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.732 CA :: 59.919 CB :: 63.777 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.122 HA :: 4.523 HB2 :: 3.812 HB3 :: 3.812 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 :: 122.707 Ave N Shift Values>> N :: 116.3(3.95) 1.S47 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 :: 169.830 CA :: 58.445 CB :: 64.925 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.815 HA :: 4.402 HB2 :: 4.010 HB3 :: 3.653 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 :: 113.266 Ave N Shift Values>> N :: 116.3(3.95) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.46 G 0.02 C Shift Assignments>> C :: 175.076 CA :: 55.930 CB :: 42.148 CE1 :: 117.606 CE2 :: 117.606 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 :: 9.168 HA :: 5.727 HB2 :: 2.751 HB3 :: 2.594 HD1 :: 7.088 HD2 :: 7.088 HE1 :: 6.745 HE2 :: 6.745 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 :: 114.064 Ave N Shift Values>> N :: 120.79(4.69) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.06 E 0.04 C Shift Assignments>> C :: 174.431 CA :: 54.107 CB :: 34.225 CG :: 37.823 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 :: 8.895 HA :: 5.167 HB2 :: 1.907 HB3 :: 1.730 HG2 :: 2.030 HG3 :: 1.866 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 :: 119.030 Ave N Shift Values>> N :: 120.68(3.68) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.27 L 0.13 R 0.01 C Shift Assignments>> C :: 174.396 CA :: 53.307 CB :: 46.055 CG :: 27.507 CD1 :: 24.469 CD2 :: 27.043 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 :: 8.626 HA :: 4.878 HB2 :: 1.719 HB3 :: 0.975 HG :: 1.656 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 HD21 :: 0.929 HD22 :: 0.929 HD23 :: 0.929 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 :: 127.507 Ave N Shift Values>> N :: 121.98(4.07) 1.Q51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.42 C 0.31 Q 0.16 E 0.04 K 0.04 C Shift Assignments>> C :: 175.185 CA :: 53.347 CB :: 31.749 CG :: 33.596 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 :: 9.208 HA :: 5.931(S) HB2 :: 2.013 HB3 :: 1.949 HG2 :: 2.108 HG3 :: 2.108 HE21 :: 6.286 HE22 :: 6.222 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 :: 124.654 NE2 :: 107.738 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.36 G 0.03 C Shift Assignments>> C :: 173.492 CA :: 56.186 CB :: 42.494 CD1 :: 132.810 CD2 :: 132.810 CE1 :: 118.230 CE2 :: 118.230 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 :: 9.351 HA :: 6.108 HB2 :: 2.731 HB3 :: 1.860 HD1 :: 6.556 HD2 :: 6.556 HE1 :: 6.508 HE2 :: 6.508 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 :: 119.191 Ave N Shift Values>> N :: 120.79(4.69) 1.T53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 T 0.34 A 0.06 S 0.01 C Shift Assignments>> C :: 172.201 CA :: 59.746 CB :: 69.570 CG2 :: 17.290 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 :: 7.964 HA :: 4.436 HB :: 2.967 HG21 :: -0.243(S) HG22 :: -0.243(S) HG23 :: -0.243(S) 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 :: 112.496 Ave N Shift Values>> N :: 115.7(5.05) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 175.133 CA :: 62.799 CB :: 39.176 CG1 :: 29.622 CG2 :: 16.523 CD1 :: 13.882 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 :: 7.687 HA :: 3.655 HB :: 1.527 HG12 :: 1.399 HG13 :: 0.562 HG21 :: 0.659 HG22 :: 0.659 HG23 :: 0.659 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 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 :: 125.329 Ave N Shift Values>> N :: 121.6(4.72) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 174.537 CA :: 56.969 CB :: 39.867 CD1 :: 131.622 CD2 :: 131.622 CE1 :: 131.622 CE2 :: 131.622 CZ :: 130.498 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 :: 8.703 HA :: 4.574 HB2 :: 2.516 HB3 :: 2.708 HD1 :: 6.998 HD2 :: 6.998 HE1 :: 7.339 HE2 :: 7.339 HZ :: 7.338 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 :: 128.016 Ave N Shift Values>> N :: 120.69(4.18) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.743 CA :: 60.969 CB :: 69.361 CG2 :: 21.478 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 :: 8.069 HA :: 4.179 HB :: 4.290 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 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 :: 118.032 Ave N Shift Values>> N :: 115.7(5.05) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.099 CA :: 45.212 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.065 HA2 :: 4.051 HA3 :: 3.318 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.298 Ave N Shift Values>> N :: 109.91(4.29) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.24 E 0.1 R 0.07 M 0.05 C Shift Assignments>> C :: 176.241 CA :: 56.968 CB :: 29.003 CG :: 33.639 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 :: 7.337 HA :: 4.169 HB2 :: 2.090 HB3 :: 1.959 HG2 :: 2.392 HG3 :: 2.346 HE21 :: 6.833 HE22 :: 7.541 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>> NE2 :: 112.350 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.23 C 0.03 L 0.01 C Shift Assignments>> C :: 177.547 CA :: 52.969 CB :: 19.448 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.312 HA :: 4.292 HB1 :: 1.329 HB2 :: 1.329 HB3 :: 1.329 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.256 Ave N Shift Values>> N :: 123.23(3.7) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.18 C 0.15 Y 0.07 F 0.05 L 0.03 C Shift Assignments>> C :: 175.249 CA :: 52.850 CB :: 38.813 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 :: 8.134 HA :: 4.717 HB2 :: 2.821 HB3 :: 2.773 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 :: 116.040 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 175.876 CA :: 60.241 CB :: 39.285 CD1 :: 131.837 CD2 :: 131.837 CE1 :: 131.222 CE2 :: 131.222 CZ :: 129.710 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 :: 8.269 HA :: 4.370 HB2 :: 3.202 HB3 :: 3.134 HD1 :: 7.242 HD2 :: 7.242 HE1 :: 7.281 HE2 :: 7.281 HZ :: 7.125 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 :: 120.852 Ave N Shift Values>> N :: 120.69(4.18) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.161 CA :: 62.898 CB :: 37.835 CG1 :: 28.184 CG2 :: 17.514 CD1 :: 12.680 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 :: 8.101 HA :: 3.841 HB :: 1.890 HG12 :: 1.544 HG13 :: 1.270 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 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 :: 119.810 Ave N Shift Values>> N :: 121.6(4.72) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F43 1.F43 C Shift Assignments>> C :: 175.995 CA :: 59.702 CB :: 63.290 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.929 HA :: 4.321 HB2 :: 3.866 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 :: 116.269 Ave N Shift Values>> N :: 116.3(3.95) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.32 R 0.05 G 0.02 HN Overlap>> 1.L13 1.L13 C Shift Assignments>> C :: 178.752 CA :: 56.807 CB :: 42.371 CG :: 26.815 CD1 :: 24.541 CD2 :: 24.197 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 :: 7.966 HA :: 4.129 HB2 :: 1.500 HB3 :: 1.441 HG :: 1.477 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 HD21 :: 0.729 HD22 :: 0.729 HD23 :: 0.729 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 :: 123.099 Ave N Shift Values>> N :: 121.98(4.07) 1.Y65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 176.170 CA :: 59.466 CB :: 37.899 CD1 :: 132.819 CD2 :: 132.819 CE1 :: 118.104 CE2 :: 118.104 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 :: 8.310 HA :: 4.243 HB2 :: 2.897 HB3 :: 2.630 HD1 :: 6.873 HD2 :: 6.873 HE1 :: 6.648 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 :: 119.348 Ave N Shift Values>> N :: 120.79(4.69) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.2 C 0.16 Y 0.09 F 0.08 L 0.04 E 0.01 C Shift Assignments>> C :: 175.317 CA :: 53.682 CB :: 38.920 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 :: 7.816 HA :: 4.616 HB2 :: 2.857 HB3 :: 2.757 HD21 :: 6.904 HD22 :: 7.557 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 :: 116.557 ND2 :: 112.516 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.169 CA :: 57.372 CB :: 63.452 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.832 HA :: 4.609 HB2 :: 3.968 HB3 :: 3.968 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 :: 115.617 Ave N Shift Values>> N :: 116.3(3.95) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 176.694 CA :: 63.829 CB :: 31.974 CG1 :: 20.483 CG2 :: 20.648 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 :: 7.888 HA :: 3.693 HB :: 1.928 HG11 :: 0.725 HG12 :: 0.725 HG13 :: 0.725 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 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 :: 121.634 Ave N Shift Values>> N :: 121.02(4.96) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.16 F 0.13 C 0.12 K 0.12 Y 0.12 N 0.06 R 0.02 I 0.01 HN Overlap>> 1.D11 1.D11 C Shift Assignments>> C :: 176.737 CA :: 55.542 CB :: 40.788 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 :: 8.275 HA :: 4.549 HB2 :: 2.665 HB3 :: 2.592 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 :: 120.157 Ave N Shift Values>> N :: 120.73(4.2) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.369 CA :: 58.894 CB :: 63.707 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.131 HA :: 4.495 HB2 :: 3.890 HB3 :: 3.805 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 :: 113.634 Ave N Shift Values>> N :: 116.3(3.95) 1.W71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.42 H 0.04 C Shift Assignments>> C :: 175.651 CA :: 57.154 CB :: 29.356 CD1 :: 127.697 CE3 :: 120.204 CZ2 :: 113.889 CZ3 :: 121.333 CH2 :: 123.970 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 :: 8.041 HA :: 4.434 HB2 :: 2.970 HB3 :: 2.970 HD1 :: 7.331 HE1 :: 9.880 HE3 :: 7.209 HZ2 :: 7.078 HZ3 :: 6.830 HH2 :: 6.888 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 :: 123.914 NE1 :: 129.753 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.M72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.42 C 0.31 A 0.25 C Shift Assignments>> C :: 175.035 CA :: 54.553 CB :: 31.887 CG :: 32.830 CE :: 17.307 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 :: 8.858 HA :: 4.506 HB2 :: 1.289 HB3 :: 0.771(S) HG2 :: 2.458 HG3 :: 2.322 HE1 :: 2.071 HE2 :: 2.071 HE3 :: 2.071 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 :: 122.794 Ave N Shift Values>> N :: 120.1(3.88) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 176.391 CA :: 59.781 CB :: 40.763 CG1 :: 27.549 CG2 :: 17.578 CD1 :: 12.800 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 :: 8.164 HA :: 5.014 HB :: 1.697 HG12 :: 1.412 HG13 :: 1.008 HG21 :: 0.689 HG22 :: 0.689 HG23 :: 0.689 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 :: 120.485 Ave N Shift Values>> N :: 121.6(4.72) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 C Shift Assignments>> C :: 173.547 CA :: 59.264 CB :: 33.399 CG1 :: 20.336 CG2 :: 19.758 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 :: 9.476 HA :: 4.578 HB :: 2.011 HG11 :: 0.580 HG12 :: 0.580 HG13 :: 0.580 HG21 :: 1.059 HG22 :: 1.059 HG23 :: 1.059 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 :: 129.449 Ave N Shift Values>> N :: 121.02(4.96) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.51 C 0.48 C Shift Assignments>> C :: 175.775 CA :: 61.781 CB :: 33.635 CG :: 25.814 CD :: 50.355 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 :: 4.834 HB2 :: 1.974 HB3 :: 2.118 HG2 :: 2.039 HG3 :: 1.912 HD2 :: 3.835 HD3 :: 3.684 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.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.24 Y 0.11 E 0.08 D 0.07 F 0.07 M 0.03 L 0.01 I 0.01 C Shift Assignments>> C :: 173.977 CA :: 54.131 CB :: 37.551 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 :: 8.837 HA :: 4.254 HB2 :: 3.126 HB3 :: 2.690 HD21 :: 6.921 HD22 :: 7.672 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 :: 113.024 ND2 :: 113.016 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 177.205 CA :: 62.855 CB :: 39.297 CG1 :: 27.474 CG2 :: 18.392 CD1 :: 15.834 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 :: 8.888 HA :: 4.103 HB :: 1.893 HG12 :: 1.490 HG13 :: 0.628 HG21 :: 1.382 HG22 :: 1.382 HG23 :: 1.382 HD11 :: 0.473 HD12 :: 0.473 HD13 :: 0.473 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 :: 120.479 Ave N Shift Values>> N :: 121.6(4.72) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.31 R 0.24 M 0.02 G 0.01 C Shift Assignments>> C :: 176.227 CA :: 55.208 CB :: 32.328 CG :: 24.833 CD :: 28.719 CE :: 42.318 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 :: 8.953 HA :: 4.941 HB2 :: 2.142 HB3 :: 1.721 HG2 :: 1.498 HG3 :: 1.498 HD2 :: 1.743 HD3 :: 1.743 HE2 :: 3.043 HE3 :: 3.043 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 :: 127.785 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 C 0.26 Q 0.23 K 0.14 E 0.05 R 0.02 C Shift Assignments>> C :: 172.552 CA :: 54.493 CB :: 30.709 CG :: 33.179 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 :: 7.350 HA :: 4.661 HB2 :: 2.122 HB3 :: 1.757 HG2 :: 2.256 HG3 :: 2.256 HE21 :: 6.836 HE22 :: 7.448 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 :: 116.381 NE2 :: 112.320 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.3 M 0.05 Y 0.04 E 0.04 D 0.02 F 0.02 K 0.01 C Shift Assignments>> C :: 171.898 CA :: 51.749 CB :: 36.674 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 :: 7.772 HA :: 3.664 HB2 :: 2.613 HB3 :: 2.613 HD21 :: 7.209 HD22 :: 6.830 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 :: 114.533 ND2 :: 110.860 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.34 C 0.26 C Shift Assignments>> C :: 173.636 CA :: 53.965 CB :: 31.089 CD2 :: 121.214 CE1 :: 137.714 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 :: 6.136 HA :: 4.275 HB2 :: 2.272 HB3 :: 1.671 HD2 :: 6.540 HE1 :: 7.750 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 :: 110.303 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.33 G 0.13 C Shift Assignments>> C :: 173.184 CA :: 59.806 CB :: 43.176 CD1 :: 133.100 CD2 :: 133.100 CE1 :: 118.794 CE2 :: 118.794 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 :: 8.468 HA :: 4.205 HB2 :: 3.363 HB3 :: 2.638 HD1 :: 6.960 HD2 :: 6.960 HE1 :: 6.868 HE2 :: 6.868 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 :: 117.602 Ave N Shift Values>> N :: 120.79(4.69) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 171.596 CA :: 62.046 CB :: 69.561 CG2 :: 21.390 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 :: 7.465 HA :: 4.747 HB :: 3.543 HG21 :: 0.530 HG22 :: 0.530 HG23 :: 0.530 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 :: 124.428 Ave N Shift Values>> N :: 115.7(5.05) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.383 CA :: 61.457 CB :: 32.542 CG1 :: 22.660 CG2 :: 21.813 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 :: 8.860 HA :: 4.139 HB :: 1.870 HG11 :: 0.707 HG12 :: 0.707 HG13 :: 0.707 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 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 :: 126.747 Ave N Shift Values>> N :: 121.02(4.96) 1.H85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 H 0.32 W 0.31 C Shift Assignments>> C :: 175.412 CA :: 54.906 CB :: 32.655 CD2 :: 121.097 CE1 :: 137.615 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 :: 8.289 HA :: 4.970 HB2 :: 3.132 HB3 :: 2.956 HD2 :: 6.966 HE1 :: 7.866 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 :: 122.664 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.13 L 0.05 C Shift Assignments>> C :: 175.527 CA :: 46.537 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.681 HA2 :: 3.942 HA3 :: 3.942 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.632 Ave N Shift Values>> N :: 109.91(4.29) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 C 0.2 L 0.17 R 0.01 C Shift Assignments>> C :: 176.258 CA :: 53.599 CB :: 41.755 CG :: 26.061 CD1 :: 25.548 CD2 :: 20.019 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 :: 8.130 HA :: 4.318 HB2 :: 1.376 HB3 :: 0.971 HG :: 1.035 HD11 :: 0.065 HD12 :: 0.065 HD13 :: 0.065 HD21 :: 0.175 HD22 :: 0.175 HD23 :: 0.175 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 :: 119.362 Ave N Shift Values>> N :: 121.98(4.07) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.23 Q 0.23 E 0.14 K 0.11 C Shift Assignments>> C :: 176.694 CA :: 54.948 CB :: 30.737 CG :: 34.254 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 :: 8.157 HA :: 4.494 HB2 :: 2.204 HB3 :: 2.044 HG2 :: 2.533 HG3 :: 2.533 HE21 :: 7.588 HE22 :: 6.920 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 :: 118.678 NE2 :: 112.678 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.822 CA :: 59.130 CB :: 64.510 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.719 HA :: 5.164 HB2 :: 4.243 HB3 :: 4.165 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 :: 119.852 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 0.56 C 0.26 P 0.07 A 0.04 L 0.02 N 0.01 C Shift Assignments>> C :: 174.499 CA :: 47.684 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.900 HA2 :: 3.839 HA3 :: 3.747 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.862 Ave N Shift Values>> N :: 109.91(4.29) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 171.275 CA :: 63.395 CB :: 72.053 CG2 :: 20.931 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 :: 8.293 HA :: 4.409 HB :: 3.826 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 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 :: 115.901 Ave N Shift Values>> N :: 115.7(5.05) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.37 G 0.15 K 0.08 C Shift Assignments>> C :: 174.099 CA :: 55.722 CB :: 32.049 CG :: 27.528 CD :: 43.991 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 :: 8.491 HA :: 4.871 HB2 :: 2.063 HB3 :: 1.755 HG2 :: 1.612 HG3 :: 1.807 HD2 :: 3.207 HD3 :: 3.089 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 :: 125.281 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.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.29 Y 0.1 C Shift Assignments>> C :: 174.073 CA :: 57.606 CB :: 44.600 CE1 :: 118.576 CE2 :: 118.576 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 :: 9.262 HA :: 4.955 HB2 :: 2.616 HB3 :: 2.426 HD1 :: 6.853 HD2 :: 6.853 HE1 :: 6.790 HE2 :: 6.790 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 :: 122.600 Ave N Shift Values>> N :: 120.79(4.69) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 173.222 CA :: 59.273 CB :: 40.997 CG1 :: 28.492 CG2 :: 17.693 CD1 :: 14.092 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 :: 8.880 HA :: 4.956 HB :: 1.454 HG12 :: 1.037 HG13 :: 1.428 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 HD11 :: 0.740 HD12 :: 0.740 HD13 :: 0.740 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 :: 119.737 Ave N Shift Values>> N :: 121.6(4.72) 1.F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 C 0.31 G 0.25 C Shift Assignments>> C :: 175.204 CA :: 57.139 CB :: 43.823 CD1 :: 132.001 CD2 :: 132.001 CE1 :: 131.323 CE2 :: 131.323 CZ :: 127.634 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 :: 8.880 HA :: 5.647 HB2 :: 2.889 HB3 :: 2.756 HD1 :: 7.160 HD2 :: 7.160 HE1 :: 6.845 HE2 :: 6.845 HZ :: 6.403 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 :: 121.905 Ave N Shift Values>> N :: 120.69(4.18) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.3 G 0.25 C Shift Assignments>> C :: 174.259 CA :: 61.295 CB :: 43.598 CG1 :: 28.712 CG2 :: 17.159 CD1 :: 14.678 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 :: 9.283 HA :: 3.899 HB :: 1.431 HG12 :: 0.786 HG13 :: 1.592 HG21 :: 0.688 HG22 :: 0.688 HG23 :: 0.688 HD11 :: 0.654 HD12 :: 0.654 HD13 :: 0.654 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 :: 119.403 Ave N Shift Values>> N :: 121.6(4.72) 1.V97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 V 0.42 C Shift Assignments>> C :: 172.710 CA :: 60.021 CB :: 33.952 CG1 :: 19.313 CG2 :: 20.750 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 :: 8.348 HA :: 4.468 HB :: 1.026 HG11 :: -0.335(S) HG12 :: -0.335(S) HG13 :: -0.335(S) HG21 :: -0.205(S) HG22 :: -0.205(S) HG23 :: -0.205(S) 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 :: 125.946 Ave N Shift Values>> N :: 121.02(4.96) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.38 R 0.06 M 0.03 A 0.01 C Shift Assignments>> C :: 175.600 CA :: 54.276 CB :: 35.613 CG :: 24.153 CD :: 29.460 CE :: 41.233 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 :: 9.252 HA :: 5.061 HB2 :: 1.676 HB3 :: 1.676 HG2 :: 1.034 HG3 :: 1.194 HD2 :: 1.547 HD3 :: 1.389 HE2 :: 2.757 HE3 :: 2.702 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 :: 130.286 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 L 0.19 M 0.12 C 0.12 K 0.01 C Shift Assignments>> C :: 176.198 CA :: 51.067 CB :: 21.958 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.871 HA :: 4.727 HB1 :: 1.398 HB2 :: 1.398 HB3 :: 1.398 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.342 Ave N Shift Values>> N :: 123.23(3.7) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.29 C Shift Assignments>> C :: 175.775 CA :: 61.378 CB :: 41.028 CG1 :: 28.308 CG2 :: 18.057 CD1 :: 14.794 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 :: 8.320 HA :: 4.450 HB :: 1.644 HG12 :: 1.242 HG13 :: 0.781 HG21 :: 0.723 HG22 :: 0.723 HG23 :: 0.723 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 :: 121.479 Ave N Shift Values>> N :: 121.6(4.72) 1.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.29 C 0.12 L 0.07 F 0.04 Y 0.04 K 0.01 C Shift Assignments>> C :: 175.583 CA :: 51.994 CB :: 39.999 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 :: 8.965 HA :: 4.776 HB2 :: 3.196 HB3 :: 3.400 HD21 :: 7.440 HD22 :: 7.343 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 :: 123.719 ND2 :: 108.779 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.23 E 0.13 R 0.05 I 0.03 M 0.02 C Shift Assignments>> C :: 176.258 CA :: 58.579 CB :: 28.609 CG :: 34.061 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 :: 8.585 HA :: 3.992 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 2.387 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 :: 114.907 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.17 C 0.03 L 0.01 C Shift Assignments>> C :: 177.696 CA :: 52.266 CB :: 19.707 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.081 HA :: 4.372 HB1 :: 1.174 HB2 :: 1.174 HB3 :: 1.174 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.957 Ave N Shift Values>> N :: 123.23(3.7) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 169.698 CA :: 45.555 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.758 HA2 :: 4.361 HA3 :: 3.885 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.237 Ave N Shift Values>> N :: 109.91(4.29) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.55 T 0.44 C Shift Assignments>> C :: 173.430 CA :: 56.150 CB :: 67.316 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.295 HA :: 5.618 HB2 :: 3.724 HB3 :: 3.569 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 :: 111.805 Ave N Shift Values>> N :: 116.3(3.95) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 K 0.27 G 0.05 R 0.05 C Shift Assignments>> C :: 174.321 CA :: 54.705 CB :: 35.639 CG :: 27.705 CD :: 42.728 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 :: 8.649 HA :: 4.487 HB2 :: 1.580 HB3 :: 1.515 HG2 :: 1.619 HG3 :: 1.467 HD2 :: 3.463 HD3 :: 3.313 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 :: 120.178 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.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.3 C 0.12 L 0.08 F 0.05 Y 0.05 K 0.01 C Shift Assignments>> C :: 176.258 CA :: 52.398 CB :: 40.049 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 :: 8.705 HA :: 5.240 HB2 :: 2.731 HB3 :: 2.660 HD21 :: 7.292 HD22 :: 6.634 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 :: 124.558 ND2 :: 109.361 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.61 T 0.38 C Shift Assignments>> C :: 174.376 CA :: 58.253 CB :: 66.861 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.028 HA :: 4.580 HB2 :: 3.748 HB3 :: 4.488 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 :: 116.361 Ave N Shift Values>> N :: 116.3(3.95) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 K 0.13 Q 0.06 I 0.04 M 0.03 C Shift Assignments>> C :: 176.707 CA :: 55.490 CB :: 29.008 CG :: 36.189 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 :: 8.735 HA :: 4.577 HB2 :: 1.932 HB3 :: 2.178 HG2 :: 2.525 HG3 :: 2.444 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 :: 119.215 Ave N Shift Values>> N :: 120.68(3.68) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.438 CA :: 62.548 CB :: 32.489 CG :: 27.483 CD :: 50.424 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 :: 5.143 HB2 :: 1.986 HB3 :: 1.773 HG2 :: 1.757 HG3 :: 2.045 HD2 :: 3.775 HD3 :: 3.775 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.T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.720 CA :: 62.555 CB :: 72.103 CG2 :: 21.122 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 :: 9.105 HA :: 4.685 HB :: 3.861 HG21 :: 1.247 HG22 :: 1.247 HG23 :: 1.247 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 :: 119.068 Ave N Shift Values>> N :: 115.7(5.05) 1.R112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.35 K 0.1 G 0.08 C Shift Assignments>> C :: 175.228 CA :: 55.042 CB :: 31.212 CG :: 26.921 CD :: 43.375 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 :: 8.783 HA :: 5.416 HB2 :: 1.615 HB3 :: 1.615 HG2 :: 1.350 HG3 :: 1.070 HD2 :: 2.566 HD3 :: 2.466 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 :: 127.658 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.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.28 L 0.15 A 0.08 C Shift Assignments>> C :: 174.636 CA :: 53.935 CB :: 47.052 CG :: 27.510 CD1 :: 26.507 CD2 :: 23.190 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 :: 9.136 HA :: 4.881 HB2 :: 1.718 HB3 :: 1.626 HG :: 1.580 HD11 :: 0.617 HD12 :: 0.617 HD13 :: 0.617 HD21 :: 1.001 HD22 :: 1.001 HD23 :: 1.001 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 :: 125.405 Ave N Shift Values>> N :: 121.98(4.07) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.22 R 0.1 M 0.03 A 0.02 G 0.01 C Shift Assignments>> C :: 176.859 CA :: 54.609 CB :: 36.745 CG :: 23.644 CD :: 29.552 CE :: 42.006 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 :: 8.429 HA :: 5.669 HB2 :: 1.705 HB3 :: 1.641 HG2 :: 1.069 HG3 :: 1.650 HD2 :: 1.566 HD3 :: 1.566 HE2 :: 2.882 HE3 :: 2.882 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 :: 120.204 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 T 0.46 C Shift Assignments>> C :: 176.079 CA :: 60.379 CB :: 70.473 CG2 :: 24.198 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 :: 8.850 HA :: 4.429 HB :: 4.758 HG21 :: 1.127 HG22 :: 1.127 HG23 :: 1.127 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 :: 114.206 Ave N Shift Values>> N :: 115.7(5.05) 1.N116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.18 C 0.15 Y 0.06 F 0.05 L 0.03 C Shift Assignments>> C :: 176.520 CA :: 52.449 CB :: 38.820 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 :: 7.796 HA :: 4.708 HB2 :: 2.287 HB3 :: 3.095 HD21 :: 6.962 HD22 :: 7.745 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 :: 118.558 ND2 :: 112.097 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.632 CA :: 59.430 CB :: 63.968 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.668 HA :: 4.371 HB2 :: 3.855 HB3 :: 3.943 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 :: 115.442 Ave N Shift Values>> N :: 116.3(3.95) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.25 C 0.25 M 0.1 R 0.07 E 0.04 C Shift Assignments>> C :: 173.906 CA :: 53.875 CB :: 29.316 CG :: 33.190 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 :: 8.533 HA :: 4.457 HB2 :: 1.976 HB3 :: 1.898 HG2 :: 2.247 HG3 :: 2.247 HE21 :: 6.850 HE22 :: 7.451 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 :: 121.475 NE2 :: 112.036 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.305 CA :: 62.957 CB :: 31.873 CG :: 27.111 CD :: 50.625 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 :: 4.264 HB2 :: 1.961 HB3 :: 1.689 HG2 :: 1.752 HG3 :: 1.639 HD2 :: 3.488 HD3 :: 3.353 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.F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.36 C 0.27 C Shift Assignments>> C :: 175.491 CA :: 57.758 CB :: 39.470 CD1 :: 131.804 CD2 :: 131.804 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 :: 8.231 HA :: 4.552 HB2 :: 3.076 HB3 :: 3.076 HD1 :: 7.249 HD2 :: 7.249 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 :: 120.663 Ave N Shift Values>> N :: 120.69(4.18) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.14 M 0.03 G 0.01 C Shift Assignments>> C :: 175.820 CA :: 55.936 CB :: 33.359 CG :: 24.558 CD :: 29.142 CE :: 42.143 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 :: 8.197 HA :: 4.313 HB2 :: 1.769 HB3 :: 1.666 HG2 :: 1.343 HG3 :: 1.343 HD2 :: 1.644 HD3 :: 1.644 HE2 :: 2.959 HE3 :: 2.959 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 :: 123.876 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S126 1.S126 C Shift Assignments>> C :: 174.441 CA :: 58.228 CB :: 64.047 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.292 HA :: 4.435 HB2 :: 3.843 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 :: 117.794 Ave N Shift Values>> N :: 116.3(3.95) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.18 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.766 CA :: 44.676 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.273 HA2 :: 4.126 HA3 :: 4.126 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.733 Ave N Shift Values>> N :: 109.91(4.29) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.457 CA :: 63.275 CB :: 32.164 CG :: 27.149 CD :: 49.795 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 :: 4.469 HB2 :: 2.297 HB3 :: 1.976 HG2 :: 2.014 HD2 :: 3.628 HD3 :: 3.628 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.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.655 CA :: 59.756 CB :: 63.783 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.528 HA :: 4.504 HB2 :: 3.901 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 :: 116.381 Ave N Shift Values>> N :: 116.3(3.95) 1.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S122 1.S122 C Shift Assignments>> C :: 173.891 CA :: 58.287 CB :: 64.277 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.311 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 :: 117.776 Ave N Shift Values>> N :: 116.3(3.95) 1.G127 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 122 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 122 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 126 #Suspicious: 1 C Shift Results: #Consistent: 539 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 810 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 1 N Shift Results: #Consistent: 127 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.W37 HE1 = 5.768(A), Expected = 10.13, Std = 0.5300, ChiSquare = 1.8692e-16 1.W37 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.W37 SRO Rule Break>> HE1 > HZ3 : 0.992378048780488 1.Q51 HA = 5.931(S), Expected = 4.28, Std = 0.4400, ChiSquare = 1.7524e-04 1.T53 HG21 = -0.243(S), Expected = 1.16, Std = 0.2800, ChiSquare = 5.4228e-07 1.T53 HG22 = -0.243(S), Expected = 1.16, Std = 0.2800, ChiSquare = 5.4228e-07 1.T53 HG23 = -0.243(S), Expected = 1.16, Std = 0.2800, ChiSquare = 5.4228e-07 1.M72 HB3 = 0.771(S), Expected = 2.01, Std = 0.3600, ChiSquare = 5.7814e-04 1.V97 HG11 = -0.335(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.3499e-05 1.V97 HG12 = -0.335(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.3499e-05 1.V97 HG13 = -0.335(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.3499e-05 1.V97 HG21 = -0.205(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.5839e-04 1.V97 HG22 = -0.205(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.5839e-04 1.V97 HG23 = -0.205(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.5839e-04