M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable C2 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.88 C 0.07 V 0.01 F 0.01 C Shift Assignments>> C :: 182.149(M) CA :: 68.510(M) CB :: 38.760 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 4.170 HB2 :: 3.130 HB3 :: 3.130 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) I3 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.32 C Shift Assignments>> C :: 184.030(M) CA :: 60.279 CB :: 40.220 CG1 :: 26.810 CG2 :: 17.514 CD1 :: 12.999 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 :: 8.099 HA :: 4.210 HB :: 1.626 HG2 :: 0.610 HG12 :: 0.810 HG13 :: 1.192 HD1 :: 0.609 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 :: 118.648 Ave N Shift Values>> N :: 121.6(4.72) G4 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.27 G 0.17 C 0.09 D 0.03 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 185.664(M) CA :: 43.811 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.776 HA2 :: 4.003 HA3 :: 4.003 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.830 Ave N Shift Values>> N :: 109.91(4.29) V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.33 C Shift Assignments>> CA :: 58.685 CB :: 35.311 CG1 :: 21.764 CG2 :: 21.764 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 :: 8.523 HA :: 4.663 HB :: 1.965 HG1 :: 1.026 HG2 :: 1.026 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 :: 119.271 Ave N Shift Values>> N :: 121.02(4.96) P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 181.620 CA :: 62.936 CB :: 33.450 CG :: 28.405 CD :: 50.983 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 :: 5.309 HB2 :: 2.104 HB3 :: 2.226 HG2 :: 1.815 HG3 :: 2.330 HD2 :: 3.571 HD3 :: 3.871 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) G7 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 187.280(M) CA :: 45.930 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.505 HA2 :: 3.422 HA3 :: 4.943 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.868 Ave N Shift Values>> N :: 109.91(4.29) Q8 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.26 K 0.25 Q 0.21 M 0.14 R 0.09 E 0.02 C Shift Assignments>> C :: 181.925 CA :: 53.639 CB :: 29.467 CG :: 32.655 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 :: 7.870 HA :: 4.195 HB2 :: -0.653(M) HB3 :: 1.224 HG2 :: 0.682(S) HG3 :: 1.340(S) HE21 :: 7.455 HE22 :: 6.863 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 :: 122.443 NE2 :: 111.790 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> V21 C Shift Assignments>> C :: 181.140 CA :: 64.264 CB :: 37.702 CG1 :: 28.936 CG2 :: 19.108 CD1 :: 14.858 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 :: 8.948 HA :: 3.585 HB :: 1.990 HG2 :: 0.628 HG12 :: 0.557 HG13 :: 1.706 HD1 :: 0.720 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 :: 128.616 Ave N Shift Values>> N :: 121.6(4.72) R10 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.33 K 0.3 G 0.01 C Shift Assignments>> C :: 181.934(M) CA :: 56.561 CB :: 31.061 CG :: 26.014 CD :: 42.217 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 :: 9.410 HA :: 4.487 HB2 :: 1.786 HB3 :: 1.786 HG2 :: 1.597 HG3 :: 1.597 HD2 :: 2.965 HD3 :: 3.112 HE :: 7.408 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 :: 131.108 NE :: 114.230 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T11 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 185.327(M) CA :: 60.279 CB :: 72.232 CG2 :: 22.030 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 :: 7.504 HA :: 4.547 HB :: 4.069 HG2 :: 1.103 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 :: 109.472 Ave N Shift Values>> N :: 115.7(5.05) I12 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.46 G 0.03 C Shift Assignments>> C :: 183.387(M) CA :: 61.342 CB :: 42.217 CG1 :: 28.671 CG2 :: 18.577 CD1 :: 15.921 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 :: 8.589 HA :: 4.421 HB :: 1.458 HG2 :: 0.812 HG12 :: 0.696 HG13 :: 1.282 HD1 :: 0.836 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 :: 121.706 Ave N Shift Values>> N :: 121.6(4.72) D13 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.25 K 0.11 C 0.1 R 0.1 N 0.06 F 0.04 Y 0.03 G 0.01 HN Overlap>> D20 V21 C Shift Assignments>> C :: 181.760(M) CA :: 53.320 CB :: 42.217 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 :: 8.777 HA :: 4.760 HB2 :: 2.423 HB3 :: 2.707 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 :: 128.673 Ave N Shift Values>> N :: 120.73(4.2) G14 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 183.708(M) CA :: 47.264 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.993 HA2 :: 3.576 HA3 :: 3.968 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.118 Ave N Shift Values>> N :: 109.91(4.29) N15 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.21 C 0.14 Y 0.06 F 0.06 L 0.04 C Shift Assignments>> C :: 184.216(M) CA :: 52.820 CB :: 39.030 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 :: 8.851 HA :: 4.820 HB2 :: 2.674 HB3 :: 2.941 HD21 :: 7.505 HD22 :: 7.017 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 :: 124.935 ND2 :: 113.720 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q16 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.25 Q 0.24 K 0.12 E 0.09 R 0.01 C Shift Assignments>> C :: 183.512(M) CA :: 54.630 CB :: 30.790 CG :: 33.717 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 :: 7.997 HA :: 4.780 HB2 :: 2.079 HB3 :: 2.142 HG2 :: 2.314 HG3 :: 2.314 HE21 :: 7.388 HE22 :: 6.608 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 :: 119.780 NE2 :: 111.796 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.27 A 0.11 P 0.11 K 0.05 M 0.05 G 0.01 R 0.01 C Shift Assignments>> C :: 180.348 CA :: 49.920 CB :: 23.624 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.208 HA :: 5.280 HB :: 1.217 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.331 Ave N Shift Values>> N :: 123.23(3.7) K18 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.3 R 0.24 M 0.03 G 0.01 C Shift Assignments>> C :: 181.645(M) CA :: 54.436 CB :: 32.390 CG :: 24.150 CD :: 28.405 CE :: 42.217 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 :: 8.219 HA :: 4.980 HB2 :: 1.433 HB3 :: 1.958 HG2 :: 1.267 HG3 :: 1.332 HD2 :: 1.622 HD3 :: 1.300 HE2 :: 2.832 HE3 :: 2.832 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 :: 120.517 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V19 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.28 I 0.01 C Shift Assignments>> C :: 181.965(M) CA :: 59.750 CB :: 35.310 CG1 :: 21.233 CG2 :: 23.757 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 :: 9.241 HA :: 4.437 HB :: 1.670 HG1 :: 0.418 HG2 :: 0.608 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 :: 125.784 Ave N Shift Values>> N :: 121.02(4.96) D20 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.21 K 0.16 C 0.1 R 0.09 F 0.06 Y 0.05 N 0.04 HN Overlap>> D13 C Shift Assignments>> C :: 182.737(M) CA :: 54.436 CB :: 41.952 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 :: 8.707 HA :: 4.494 HB2 :: 2.262 HB3 :: 2.663 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 :: 128.730 Ave N Shift Values>> N :: 120.73(4.2) V21 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 HN Overlap>> I9 D13 C Shift Assignments>> C :: 181.629(M) CA :: 61.340 CB :: 32.124 CG1 :: 20.968 CG2 :: 22.030 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 :: 8.841 HA :: 4.560 HB :: 2.054 HG1 :: 0.760 HG2 :: 0.900 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 :: 128.616 Ave N Shift Values>> N :: 121.02(4.96) C22 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.16 R 0.14 K 0.08 P 0.06 W 0.05 L 0.04 Q 0.04 H 0.02 E 0.02 C Shift Assignments>> C :: 183.192(M) CA :: 60.280 CB :: 26.280 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 10.101 HA :: 4.017 HB2 :: 2.955 HB3 :: 3.233 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 :: 124.990 Ave N Shift Values>> N :: 119.95(4.79) G23 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 183.593(M) CA :: 45.670 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.567 HA2 :: 3.815 HA3 :: 4.233 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.507 Ave N Shift Values>> N :: 109.91(4.29) I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 182.097 CA :: 59.217 CB :: 39.827 CG1 :: 27.340 CG2 :: 17.514 CD1 :: 12.200 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 :: 7.560 HA :: 4.272 HB :: 1.838 HG2 :: 0.825 HG12 :: 1.148 HG13 :: 1.423 HD1 :: 0.823 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 :: 122.330 Ave N Shift Values>> N :: 121.6(4.72) Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.27 K 0.17 Q 0.16 M 0.06 I 0.02 R 0.01 C Shift Assignments>> C :: 181.985 CA :: 56.560 CB :: 29.467 CG :: 35.311 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 :: 8.707 HA :: 4.661 HB2 :: 1.811 HB3 :: 1.950 HG2 :: 1.965 HG3 :: 2.290 HE21 :: 7.683 HE22 :: 6.725 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 :: 127.030 NE2 :: 111.851 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R26 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.28 K 0.27 G 0.05 C Shift Assignments>> C :: 182.697(M) CA :: 53.506 CB :: 32.920 CG :: 26.280 CD :: 42.740 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 :: 9.208 HA :: 4.664 HB2 :: 1.555 HB3 :: 1.836 HG2 :: 1.700 HG3 :: 1.700 HD2 :: 3.000 HD3 :: 3.160 HE :: 7.149 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 :: 125.500 NE :: 114.060 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.21 K 0.15 C 0.1 F 0.08 Y 0.07 N 0.06 R 0.05 C Shift Assignments>> C :: 181.620 CA :: 54.701 CB :: 41.420 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 :: 8.505 HA :: 5.170 HB2 :: 2.485 HB3 :: 2.540 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 :: 123.350 Ave N Shift Values>> N :: 120.73(4.2) V28 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 V 0.11 C Shift Assignments>> C :: 185.044(M) CA :: 60.545 CB :: 36.905 CG1 :: 23.360 CG2 :: 23.360 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 :: 9.054 HA :: 4.220 HB :: 1.576 HG1 :: 0.598 HG2 :: 0.598 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 :: 124.760 Ave N Shift Values>> N :: 121.02(4.96) D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.2 R 0.14 K 0.12 C 0.1 F 0.04 Y 0.03 N 0.03 G 0.01 C Shift Assignments>> C :: 179.032 CA :: 53.940 CB :: 42.480 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 :: 8.346 HA :: 4.780 HB2 :: 2.299 HB3 :: 2.188 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 :: 127.484 Ave N Shift Values>> N :: 120.73(4.2) L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.28 A 0.19 R 0.06 C Shift Assignments>> C :: 180.318 CA :: 54.967 CB :: 40.890 CG :: 25.750 CD1 :: 27.608 CD2 :: 21.764 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 :: 9.352 HA :: 4.540 HB2 :: 1.584 HB3 :: 1.537 HG :: 1.520 HD1 :: 0.710 HD2 :: 0.430 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 :: 128.277 Ave N Shift Values>> N :: 121.98(4.07) T31 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> L32 C Shift Assignments>> C :: 181.547(M) CA :: 68.780 CB :: 69.576 CG2 :: 21.500 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 :: 9.536 HA :: 3.714 HB :: 4.082 HG2 :: 1.300 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 :: 118.930 Ave N Shift Values>> N :: 115.7(5.05) L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.38 R 0.05 HN Overlap>> T31 C Shift Assignments>> C :: 178.591 CA :: 57.623 CB :: 41.155 CG :: 27.340 CD1 :: 25.220 CD2 :: 22.823 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 :: 9.593 HA :: 4.202 HB2 :: 1.611 HB3 :: 2.065 HG :: 1.775 HD1 :: 0.926 HD2 :: 0.860 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 :: 118.870 Ave N Shift Values>> N :: 121.98(4.07) V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.35 C Shift Assignments>> C :: 180.931 CA :: 60.678 CB :: 33.186 CG1 :: 18.310 CG2 :: 21.500 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 :: 7.125 HA :: 4.535 HB :: 2.217 HG1 :: 0.800 HG2 :: 0.684 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 :: 107.660 Ave N Shift Values>> N :: 121.02(4.96) G34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.22 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 183.907(M) CA :: 44.340 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.336 HA2 :: 3.778 HA3 :: 4.587 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.320 Ave N Shift Values>> N :: 109.91(4.29) S35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 183.459(M) CA :: 60.010 CB :: 63.733 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.723 HA :: 4.180 HB2 :: 4.005 HB3 :: 3.920 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 :: 118.760 Ave N Shift Values>> N :: 116.3(3.95) C36 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.14 R 0.14 C 0.13 H 0.13 W 0.11 K 0.11 E 0.1 Q 0.08 V 0.01 C Shift Assignments>> C :: 184.372(M) CA :: 56.030 CB :: 31.327 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.838 HA :: 5.050 HB2 :: 2.282 HB3 :: 2.738 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 :: 116.610 Ave N Shift Values>> N :: 119.95(4.79) D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 C 0.11 N 0.1 K 0.09 R 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 179.979 CA :: 52.310 CB :: 41.951 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 :: 8.555 HA :: 4.510 HB2 :: 2.621 HB3 :: 3.308 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 :: 120.177 Ave N Shift Values>> N :: 120.73(4.2) E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.28 I 0.16 K 0.12 Q 0.06 C Shift Assignments>> C :: 180.776 CA :: 58.951 CB :: 28.405 CG :: 35.840 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 :: 9.766 HA :: 4.177 HB2 :: 2.070 HB3 :: 2.127 HG2 :: 2.380 HG3 :: 2.380 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 :: 119.214 Ave N Shift Values>> N :: 120.68(3.68) N39 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.26 C 0.13 Y 0.06 L 0.06 F 0.06 C Shift Assignments>> C :: 181.879(M) CA :: 52.842 CB :: 39.560 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 :: 8.360 HA :: 4.943 HB2 :: 2.840 HB3 :: 3.029 HD21 :: 6.992 HD22 :: 7.849 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 :: 118.530 ND2 :: 115.532 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G40 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 183.670(M) CA :: 45.670 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.290 HA2 :: 3.695 HA3 :: 4.204 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.530 Ave N Shift Values>> N :: 109.91(4.29) Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.26 K 0.24 R 0.07 M 0.06 E 0.03 P 0.02 C Shift Assignments>> CA :: 52.810 CB :: 28.670 CG :: 33.450 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 :: 8.258 HA :: 4.720 HB2 :: 2.100 HB3 :: 2.100 HG2 :: 2.260 HG3 :: 2.410 HE21 :: 7.559 HE22 :: 6.925 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 :: 121.930 NE2 :: 113.776 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P42 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 :: 178.521 CA :: 63.200 CB :: 33.186 CG :: 28.140 CD :: 50.980 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 :: 4.880 HB2 :: 1.860 HB3 :: 2.400 HG2 :: 2.066 HG3 :: 2.170 HD2 :: 3.685 HD3 :: 4.082 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) R43 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.38 G 0.1 K 0.07 L 0.01 C Shift Assignments>> C :: 182.298(M) CA :: 57.890 CB :: 29.467 CG :: 28.405 CD :: 43.540 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 :: 7.916 HA :: 4.170 HB2 :: 1.115 HB3 :: 2.006 HG2 :: 1.145 HG3 :: 1.342 HD2 :: 2.816 HD3 :: 3.028 HE :: 6.642 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 :: 123.236 NE :: 114.966 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 180.685 CA :: 65.858 CB :: 31.858 CG1 :: 21.670 CG2 :: 22.030 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 :: 6.742 HA :: 3.050 HB :: 1.855 HG1 :: 0.890 HG2 :: 0.900 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 :: 120.290 Ave N Shift Values>> N :: 121.02(4.96) G45 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 183.124(M) CA :: 45.140 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.486 HA2 :: 3.544 HA3 :: 4.380 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.380 Ave N Shift Values>> N :: 109.91(4.29) Q46 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.27 K 0.18 Q 0.16 M 0.04 I 0.03 R 0.01 C Shift Assignments>> C :: 183.150(M) CA :: 56.560 CB :: 29.200 CG :: 35.311 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 :: 7.781 HA :: 4.487 HB2 :: 2.128 HB3 :: 2.284 HG2 :: 2.296 HG3 :: 2.296 HE21 :: 7.300 HE22 :: 6.515 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 :: 120.170 NE2 :: 109.585 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W47 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.48 C 0.48 H 0.03 C Shift Assignments>> C :: 181.809(M) CA :: 56.300 CB :: 30.264 CD1 :: 126.228 CE3 :: 120.062 CZ2 :: 114.555 CZ3 :: 118.891 CH2 :: 124.398 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 :: 8.939 HA :: 5.240 HB2 :: 2.756 HB3 :: 3.200 HD1 :: 7.353 HE1 :: 10.355 HE3 :: 7.160 HZ2 :: 7.318 HZ3 :: 6.860 HH2 :: 7.063 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 :: 122.273 NE1 :: 130.429 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) V48 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 A 0.14 I 0.08 C Shift Assignments>> C :: 182.127(M) CA :: 56.826 CB :: 36.370 CG1 :: 18.046 CG2 :: 23.360 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 :: 9.265 HA :: 5.554 HB :: 2.040 HG1 :: 0.610 HG2 :: 0.876 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 :: 111.340 Ave N Shift Values>> N :: 121.02(4.96) L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.19 G 0.09 R 0.04 A 0.03 HN Overlap>> M74 C Shift Assignments>> C :: 181.445 CA :: 53.639 CB :: 43.280 CG :: 26.810 CD1 :: 24.950 CD2 :: 23.358 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 :: 7.800 HA :: 4.476 HB2 :: 1.190 HB3 :: 1.570 HG :: 1.425 HD1 :: 0.696 HD2 :: 0.639 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 :: 119.950 Ave N Shift Values>> N :: 121.98(4.07) V50 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 181.989(M) CA :: 62.404 CB :: 32.920 CG1 :: 22.560 CG2 :: 22.830 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 :: 9.116 HA :: 4.610 HB :: 2.168 HG1 :: 0.760 HG2 :: 0.830 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 :: 125.670 Ave N Shift Values>> N :: 121.02(4.96) H51 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 W 0.24 H 0.23 Y 0.02 C Shift Assignments>> C :: 183.827(M) CA :: 56.295 CB :: 33.452 CD2 :: 120.414 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 :: 9.252 HA :: 5.043 HB2 :: 2.955 HB3 :: 3.280 HD2 :: 7.064 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 :: 128.956 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V52 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 182.417(M) CA :: 62.936 CB :: 30.796 CG1 :: 20.160 CG2 :: 22.561 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 :: 8.980 HA :: 3.470 HB :: 2.244 HG1 :: 0.495 HG2 :: 0.710 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 :: 125.275 Ave N Shift Values>> N :: 121.02(4.96) G53 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 183.634(M) CA :: 45.670 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.346 HA2 :: 3.690 HA3 :: 4.110 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.600 Ave N Shift Values>> N :: 109.91(4.29) F54 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.31 C 0.27 G 0.04 C Shift Assignments>> C :: 182.978(M) CA :: 57.620 CB :: 42.748 CD1 :: 131.899 CE1 :: 131.899 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 :: 8.589 HA :: 5.100 HB2 :: 3.000 HB3 :: 3.170 HD1 :: 7.407 HE1 :: 7.342 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 :: 121.140 Ave N Shift Values>> N :: 120.69(4.18) A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.02 C Shift Assignments>> C :: 181.358 CA :: 50.490 CB :: 19.370 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.619 HA :: 4.821 HB :: 1.220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.839 Ave N Shift Values>> N :: 123.23(3.7) M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.36 Q 0.13 E 0.05 K 0.01 C Shift Assignments>> C :: 181.081 CA :: 55.498 CB :: 33.452 CG :: 32.650 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 :: 9.486 HA :: 4.650 HB2 :: 1.920 HB3 :: 2.156 HG2 :: 2.779 HG3 :: 2.580 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 :: 122.500 Ave N Shift Values>> N :: 120.1(3.88) S57 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 185.136(M) CA :: 57.358 CB :: 64.530 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.187 HA :: 4.440 HB2 :: 3.830 HB3 :: 3.738 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 :: 108.565 Ave N Shift Values>> N :: 116.3(3.95) V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 181.378 CA :: 62.350 CB :: 32.655 CG1 :: 20.700 CG2 :: 20.700 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 :: 8.739 HA :: 4.839 HB :: 2.015 HG1 :: 0.877 HG2 :: 1.110 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 :: 124.820 Ave N Shift Values>> N :: 121.02(4.96) I59 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.41 C Shift Assignments>> C :: 183.567(M) CA :: 59.250 CB :: 41.420 CG1 :: 26.014 CG2 :: 18.040 CD1 :: 13.530 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 :: 8.575 HA :: 4.830 HB :: 1.920 HG2 :: 0.763 HG12 :: 0.767 HG13 :: 1.370 HD1 :: 0.646 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 :: 123.518 Ave N Shift Values>> N :: 121.6(4.72) N60 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.26 C 0.13 L 0.05 Y 0.05 F 0.05 C Shift Assignments>> C :: 182.397(M) CA :: 52.280 CB :: 39.560 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 :: 8.745 HA :: 4.856 HB2 :: 2.890 HB3 :: 3.125 HD21 :: 6.951 HD22 :: 7.649 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 :: 119.720 ND2 :: 113.890 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.23 K 0.06 Q 0.02 M 0.02 C Shift Assignments>> C :: 180.606 CA :: 59.748 CB :: 29.467 CG :: 36.370 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 :: 8.723 HA :: 2.881 HB2 :: 1.940 HB3 :: 2.079 HG2 :: 1.996 HG3 :: 2.077 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 :: 121.140 Ave N Shift Values>> N :: 120.68(3.68) A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.3 I 0.05 C 0.03 C Shift Assignments>> C :: 177.769 CA :: 55.498 CB :: 18.046 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.201 HA :: 3.923 HB :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.500 Ave N Shift Values>> N :: 123.23(3.7) E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.35 I 0.2 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.113 CA :: 58.686 CB :: 29.470 CG :: 36.905 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 :: 7.839 HA :: 4.037 HB2 :: 1.870 HB3 :: 2.129 HG2 :: 2.359 HG3 :: 2.131 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 :: 119.160 Ave N Shift Values>> N :: 120.68(3.68) A64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.61 A 0.28 I 0.05 C 0.02 C Shift Assignments>> C :: 179.207 CA :: 55.500 CB :: 17.780 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.143 HA :: 3.515 HB :: 0.555(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.370 Ave N Shift Values>> N :: 123.23(3.7) R65 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.1 G 0.06 L 0.03 HN Overlap>> Q72 C Shift Assignments>> C :: 184.234(M) CA :: 58.950 CB :: 29.467 CG :: 27.077 CD :: 43.150 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 :: 7.928 HA :: 3.740 HB2 :: 1.773 HB3 :: 1.842 HG2 :: 1.500 HG3 :: 1.600 HD2 :: 3.105 HD3 :: 3.105 HE :: 7.383 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 :: 118.138 NE :: 114.965 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 C 0.16 L 0.1 D 0.1 K 0.08 I 0.05 N 0.02 R 0.01 C Shift Assignments>> C :: 178.282 CA :: 57.225 CB :: 40.358 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 :: 8.003 HA :: 4.373 HB2 :: 2.701 HB3 :: 2.653 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 :: 120.347 Ave N Shift Values>> N :: 120.73(4.2) T67 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 181.650(M) CA :: 66.654 CB :: 68.510 CG2 :: 21.764 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 :: 8.263 HA :: 3.990 HB :: 4.183 HG2 :: 1.190 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 :: 118.760 Ave N Shift Values>> N :: 115.7(5.05) L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.37 R 0.11 C Shift Assignments>> C :: 181.676 CA :: 58.420 CB :: 41.686 CG :: 27.608 CD1 :: 25.480 CD2 :: 23.620 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 :: 8.415 HA :: 4.016 HB2 :: 1.507 HB3 :: 1.855 HG :: 1.620 HD1 :: 0.900 HD2 :: 1.002 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 :: 123.240 Ave N Shift Values>> N :: 121.98(4.07) D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.18 C 0.15 K 0.12 L 0.12 D 0.09 I 0.04 R 0.02 N 0.01 C Shift Assignments>> C :: 179.453 CA :: 57.358 CB :: 40.680 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 :: 8.161 HA :: 4.407 HB2 :: 2.662 HB3 :: 2.776 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 :: 120.234 Ave N Shift Values>> N :: 120.73(4.2) A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.44 C 0.02 I 0.02 C Shift Assignments>> C :: 177.300 CA :: 54.700 CB :: 18.310 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.681 HA :: 4.208 HB :: 1.544 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.500 Ave N Shift Values>> N :: 123.23(3.7) L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.33 G 0.02 R 0.01 C Shift Assignments>> C :: 180.171 CA :: 57.090 CB :: 42.480 CG :: 26.280 CD1 :: 23.360 CD2 :: 23.360 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 :: 8.136 HA :: 4.178 HB2 :: 1.552 HB3 :: 1.902 HG :: 0.990 HD1 :: 0.930 HD2 :: 0.930 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 :: 119.890 Ave N Shift Values>> N :: 121.98(4.07) Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.24 K 0.22 E 0.16 R 0.04 M 0.03 I 0.02 HN Overlap>> R65 C Shift Assignments>> C :: 181.025 CA :: 57.623 CB :: 28.940 CG :: 34.250 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 :: 7.998 HA :: 4.144 HB2 :: 2.169 HB3 :: 2.169 HG2 :: 2.520 HG3 :: 2.450 HE21 :: 7.453 HE22 :: 6.862 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 :: 118.138 NE2 :: 112.417 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 D 0.23 C 0.15 Y 0.11 F 0.1 L 0.06 E 0.01 C Shift Assignments>> C :: 179.099 CA :: 54.170 CB :: 39.290 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 :: 7.907 HA :: 4.670 HB2 :: 2.734 HB3 :: 2.854 HD21 :: 7.628 HD22 :: 6.918 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 :: 117.000 ND2 :: 114.280 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.34 Q 0.16 E 0.06 K 0.04 HN Overlap>> L49 C Shift Assignments>> C :: 178.440 CA :: 56.295 CB :: 33.190 CG :: 32.120 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 :: 7.782 HA :: 4.340 HB2 :: 1.994 HB3 :: 1.994 HG2 :: 2.560 HG3 :: 2.455 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 :: 120.010 Ave N Shift Values>> N :: 120.1(3.88) F75 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.33 C 0.28 C Shift Assignments>> C :: 182.078(M) CA :: 57.960 CB :: 39.560 CD1 :: 131.780 CE1 :: 131.899 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 :: 8.114 HA :: 4.656 HB2 :: 3.030 HB3 :: 3.240 HD1 :: 7.292 HE1 :: 7.356 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 :: 120.460 Ave N Shift Values>> N :: 120.69(4.18) D76 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.21 K 0.14 C 0.1 F 0.08 N 0.07 Y 0.06 R 0.05 C Shift Assignments>> C :: 181.967(M) CA :: 54.436 CB :: 41.420 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 :: 8.257 HA :: 4.636 HB2 :: 2.712 HB3 :: 2.600 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 :: 121.080 Ave N Shift Values>> N :: 120.73(4.2) V77 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 181.709(M) CA :: 61.610 CB :: 33.452 CG1 :: 20.702 CG2 :: 21.230 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 :: 7.858 HA :: 4.220 HB :: 2.111 HG1 :: 0.935 HG2 :: 0.940 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 :: 118.420 Ave N Shift Values>> N :: 121.02(4.96) E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 K 0.11 M 0.06 Q 0.04 I 0.02 C Shift Assignments>> CA :: 54.700 CB :: 29.470 CG :: 36.370 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 :: 8.555 HA :: 4.580 HB2 :: 1.957 HB3 :: 2.128 HG2 :: 2.350 HG3 :: 2.350 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 :: 126.070 Ave N Shift Values>> N :: 120.68(3.68) P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 180.310 CA :: 64.264 CB :: 32.120 CG :: 27.340 CD :: 50.717 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 :: 4.374 HB2 :: 1.917 HB3 :: 2.297 HG2 :: 2.028 HG3 :: 2.028 HD2 :: 3.800 HD3 :: 3.800 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) D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.17 K 0.12 C 0.12 F 0.11 Y 0.1 N 0.07 R 0.02 C Shift Assignments>> C :: 180.477 CA :: 55.100 CB :: 40.889 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 :: 8.604 HA :: 4.573 HB2 :: 2.633 HB3 :: 2.727 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 :: 120.011 Ave N Shift Values>> N :: 120.73(4.2) V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 180.276 CA :: 64.000 CB :: 32.390 CG1 :: 21.200 CG2 :: 21.233 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 :: 7.950 HA :: 3.968 HB :: 2.192 HG1 :: 0.996 HG2 :: 0.933 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 :: 121.370 Ave N Shift Values>> N :: 121.02(4.96) G82 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 183.069(M) CA :: 46.200 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.530 HA2 :: 3.767 HA3 :: 3.929 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.550 Ave N Shift Values>> N :: 109.91(4.29) A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.31 C 0.02 C Shift Assignments>> C :: 179.081 CA :: 53.640 CB :: 19.100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.978 HA :: 4.210 HB :: 1.400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.575 Ave N Shift Values>> N :: 123.23(3.7) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.29 R 0.1 G 0.02 A 0.01 C Shift Assignments>> C :: 179.934 CA :: 56.030 CB :: 42.480 CG :: 27.077 CD1 :: 25.217 CD2 :: 23.358 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 :: 7.737 HA :: 4.220 HB2 :: 1.460 HB3 :: 1.766 HG :: 1.686 HD1 :: 0.924 HD2 :: 0.873 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 :: 119.500 Ave N Shift Values>> N :: 121.98(4.07) L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.27 R 0.11 G 0.03 C Shift Assignments>> C :: 180.024 CA :: 55.500 CB :: 42.750 CG :: 27.077 CD1 :: 25.480 CD2 :: 23.889 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 :: 8.029 HA :: 4.270 HB2 :: 1.180 HB3 :: 1.405 HG :: 1.480 HD1 :: 0.800 HD2 :: 0.760 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 :: 121.250 Ave N Shift Values>> N :: 121.98(4.07) Y86 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 181.109(M) CA :: 57.650 CB :: 38.760 CD1 :: 133.530 CE1 :: 118.188 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 :: 8.087 HA :: 4.660 HB2 :: 2.920 HB3 :: 3.170 HD1 :: 7.138 HE1 :: 6.800 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 :: 119.040 Ave N Shift Values>> N :: 120.79(4.69) G87 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 183.936(M) CA :: 45.670 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.081 HA2 :: 3.971 HA3 :: 3.931 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.550 Ave N Shift Values>> N :: 109.91(4.29) E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.13 K 0.04 I 0.03 Q 0.02 C Shift Assignments>> C :: 181.426 CA :: 56.290 CB :: 30.790 CG :: 36.506 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 :: 8.269 HA :: 4.320 HB2 :: 1.920 HB3 :: 2.070 HG2 :: 2.231 HG3 :: 2.231 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 :: 120.630 Ave N Shift Values>> N :: 120.68(3.68) E89 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.13 K 0.04 I 0.03 Q 0.02 C Shift Assignments>> C :: 182.213(M) CA :: 56.290 CB :: 30.796 CG :: 36.500 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 :: 8.554 HA :: 4.300 HB2 :: 1.925 HB3 :: 2.076 HG2 :: 2.270 HG3 :: 2.270 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 :: 123.630 Ave N Shift Values>> N :: 120.68(3.68) K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 R 0.25 M 0.03 G 0.01 C Shift Assignments>> CA :: 57.620 CB :: 33.830 CG :: 29.160 CD :: 24.550 CE :: 42.217 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 :: 8.004 HA :: 4.140 HB2 :: 1.820 HB3 :: 1.650 HG2 :: 1.700 HG3 :: 1.700 HD2 :: 1.370 HD3 :: 1.370 HE2 :: 2.970 HE3 :: 2.970 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 :: 128.670 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 41 #Clerical: 0 #Suspicious: 1 #Anomalous: 48 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 89 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 90 #Suspicious: 0 C Shift Results: #Consistent: 314 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 48 H Shift Results: #Consistent: 485 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 N Shift Results: #Consistent: 100 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: C2 C = 182.149(M), Expected = 174.78, Std = 1.9900, ChiSquare = 2.1305e-04 C2 CA = 68.510(M), Expected = 57.43, Std = 3.4100, ChiSquare = 1.1570e-03 I3 C = 184.030(M), Expected = 175.82, Std = 1.9500, ChiSquare = 2.5508e-05 G4 C = 185.664(M), Expected = 174.04, Std = 1.9400, ChiSquare = 2.0759e-09 G7 C = 187.280(M), Expected = 174.04, Std = 1.9400, ChiSquare = 8.8083e-12 Q8 HB2 = -0.653(M), Expected = 2.05, Std = 0.2800, ChiSquare = 4.7473e-22 Q8 HG2 = 0.682(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.6206e-08 Q8 HG3 = 1.340(S), Expected = 2.32, Std = 0.2900, ChiSquare = 7.2668e-04 R10 C = 181.934(M), Expected = 176.49, Std = 2.1600, ChiSquare = 1.1723e-02 T11 C = 185.327(M), Expected = 174.60, Std = 1.8000, ChiSquare = 2.5310e-09 I12 C = 183.387(M), Expected = 175.82, Std = 1.9500, ChiSquare = 1.0424e-04 D13 C = 181.760(M), Expected = 176.41, Std = 1.7700, ChiSquare = 2.5061e-03 G14 C = 183.708(M), Expected = 174.04, Std = 1.9400, ChiSquare = 6.2443e-07 N15 C = 184.216(M), Expected = 175.16, Std = 1.7600, ChiSquare = 2.6687e-07 Q16 C = 183.512(M), Expected = 176.39, Std = 1.9600, ChiSquare = 2.7941e-04 K18 C = 181.645(M), Expected = 176.46, Std = 2.0500, ChiSquare = 1.1430e-02 V19 C = 181.965(M), Expected = 175.69, Std = 2.0300, ChiSquare = 1.9939e-03 D20 C = 182.737(M), Expected = 176.41, Std = 1.7700, ChiSquare = 3.5080e-04 V21 C = 181.629(M), Expected = 175.69, Std = 2.0300, ChiSquare = 3.4378e-03 C22 C = 183.192(M), Expected = 174.78, Std = 1.9900, ChiSquare = 2.3668e-05 G23 C = 183.593(M), Expected = 174.04, Std = 1.9400, ChiSquare = 8.4695e-07 R26 C = 182.697(M), Expected = 176.49, Std = 2.1600, ChiSquare = 4.0581e-03 V28 C = 185.044(M), Expected = 175.69, Std = 2.0300, ChiSquare = 4.0679e-06 T31 C = 181.547(M), Expected = 174.60, Std = 1.8000, ChiSquare = 1.1365e-04 G34 C = 183.907(M), Expected = 174.04, Std = 1.9400, ChiSquare = 3.6554e-07 S35 C = 183.459(M), Expected = 174.53, Std = 1.7300, ChiSquare = 2.4528e-07 C36 C = 184.372(M), Expected = 174.78, Std = 1.9900, ChiSquare = 1.4349e-06 N39 C = 181.879(M), Expected = 175.16, Std = 1.7600, ChiSquare = 1.3475e-04 G40 C = 183.670(M), Expected = 174.04, Std = 1.9400, ChiSquare = 6.9085e-07 R43 C = 182.298(M), Expected = 176.49, Std = 2.1600, ChiSquare = 7.1690e-03 G45 C = 183.124(M), Expected = 174.04, Std = 1.9400, ChiSquare = 2.8343e-06 Q46 C = 183.150(M), Expected = 176.39, Std = 1.9600, ChiSquare = 5.6271e-04 W47 C = 181.809(M), Expected = 176.10, Std = 1.8900, ChiSquare = 2.5225e-03 V48 C = 182.127(M), Expected = 175.69, Std = 2.0300, ChiSquare = 1.5195e-03 V50 C = 181.989(M), Expected = 175.69, Std = 2.0300, ChiSquare = 1.9160e-03 H51 C = 183.827(M), Expected = 175.19, Std = 2.1400, ChiSquare = 5.4375e-05 V52 C = 182.417(M), Expected = 175.69, Std = 2.0300, ChiSquare = 9.2040e-04 G53 C = 183.634(M), Expected = 174.04, Std = 1.9400, ChiSquare = 7.6003e-07 F54 C = 182.978(M), Expected = 175.49, Std = 2.1300, ChiSquare = 4.3894e-04 S57 C = 185.136(M), Expected = 174.53, Std = 1.7300, ChiSquare = 8.7529e-10 I59 C = 183.567(M), Expected = 175.82, Std = 1.9500, ChiSquare = 7.1027e-05 N60 C = 182.397(M), Expected = 175.16, Std = 1.7600, ChiSquare = 3.9236e-05 A64 HB = 0.555(S), Expected = 1.38, Std = 0.2500, ChiSquare = 9.6685e-04 R65 C = 184.234(M), Expected = 176.49, Std = 2.1600, ChiSquare = 3.3684e-04 T67 C = 181.650(M), Expected = 174.60, Std = 1.8000, ChiSquare = 8.9782e-05 F75 C = 182.078(M), Expected = 175.49, Std = 2.1300, ChiSquare = 1.9817e-03 D76 C = 181.967(M), Expected = 176.41, Std = 1.7700, ChiSquare = 1.6921e-03 V77 C = 181.709(M), Expected = 175.69, Std = 2.0300, ChiSquare = 3.0266e-03 G82 C = 183.069(M), Expected = 174.04, Std = 1.9400, ChiSquare = 3.2536e-06 Y86 C = 181.109(M), Expected = 175.39, Std = 1.8900, ChiSquare = 2.4787e-03 G87 C = 183.936(M), Expected = 174.04, Std = 1.9400, ChiSquare = 3.3781e-07 E89 C = 182.213(M), Expected = 176.93, Std = 2.1100, ChiSquare = 1.2287e-02