G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 56.171 CB :: 56.463(S) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.273 HB2 :: 3.814 HB3 :: 3.688 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) P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.37 E 0.13 K 0.1 R 0.09 H 0.08 Q 0.08 V 0.07 P 0.03 C Shift Assignments>> C :: 173.903 CA :: 60.738 CB :: 29.187 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 :: 4.268 HB2 :: 2.129 HB3 :: 1.709 HG2 :: 1.877 HD2 :: 3.704 HD3 :: 3.592 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) E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.21 Q 0.15 H 0.13 K 0.12 E 0.04 I 0.01 C Shift Assignments>> C :: 173.144 CA :: 54.042 CB :: 27.420 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 :: 8.292 HA :: 4.005 HB2 :: 1.692 HG2 :: 2.010 HG3 :: 1.940 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 :: 120.098 Ave N Shift Values>> N :: 120.68(3.68) F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 E 0.28 Y 0.16 F 0.07 K 0.05 D 0.03 I 0.01 Q 0.01 C Shift Assignments>> C :: 172.385 CA :: 54.552 CB :: 36.648 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 :: 7.995 HA :: 4.531 HB2 :: 2.975 HB3 :: 2.896 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 :: 120.098 Ave N Shift Values>> N :: 120.69(4.18) L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.3 L 0.06 Y 0.05 F 0.05 C Shift Assignments>> C :: 174.500 CA :: 52.183 CB :: 39.635 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 :: 8.099 HA :: 4.196 HB2 :: 1.416 HG :: 1.382 HD1 :: 0.736 HD2 :: 0.688 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.401 Ave N Shift Values>> N :: 121.98(4.07) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 K 0.2 R 0.16 D 0.11 F 0.08 Y 0.05 I 0.02 N 0.01 G 0.01 C Shift Assignments>> C :: 171.284 CA :: 42.308 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.846 HA2 :: 3.768 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.791 Ave N Shift Values>> N :: 109.91(4.29) E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.21 Q 0.16 H 0.14 K 0.13 E 0.05 I 0.01 C Shift Assignments>> C :: 174.327 CA :: 54.072 CB :: 27.533 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 :: 8.276 HA :: 4.119 HB2 :: 1.966 HB3 :: 1.790 HG2 :: 2.147 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 :: 120.294 Ave N Shift Values>> N :: 120.68(3.68) E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.22 Q 0.15 H 0.13 K 0.12 E 0.04 I 0.01 C Shift Assignments>> C :: 173.373 CA :: 54.169 CB :: 27.317 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 :: 8.630 HA :: 4.095 HB2 :: 1.918 HB3 :: 1.790 HG2 :: 2.123 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 :: 120.342 Ave N Shift Values>> N :: 120.68(3.68) D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 D 0.14 Y 0.05 F 0.03 L 0.01 E 0.01 C Shift Assignments>> C :: 172.697 CA :: 51.348 CB :: 38.190 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 :: 8.214 HA :: 4.481 HB2 :: 2.558 HB3 :: 2.462 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 :: 119.870 Ave N Shift Values>> N :: 120.73(4.2) I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 Y 0.15 N 0.11 K 0.11 F 0.06 Q 0.05 I 0.02 D 0.01 C Shift Assignments>> CA :: 55.586 CB :: 36.096 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 :: 7.590 HA :: 4.160 HB :: 1.443 HG2 :: 0.355 HG13 :: 0.711 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 :: 122.438 Ave N Shift Values>> N :: 121.6(4.72) P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.28 E 0.15 V 0.12 R 0.12 H 0.09 K 0.08 Q 0.07 P 0.05 C Shift Assignments>> C :: 174.996 CA :: 60.696 CB :: 29.809 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 :: 4.360 HB2 :: 2.394 HB3 :: 1.805 HG2 :: 1.907 HD2 :: 3.803 HD3 :: 3.417 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) R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 K 0.2 A 0.01 C Shift Assignments>> C :: 172.579 CA :: 52.433 CB :: 27.747 CG :: 24.740 CD :: 39.930 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 :: 8.819 HA :: 4.493 HB2 :: 2.208 HB3 :: 1.786 HG2 :: 1.751 HD2 :: 3.240 HE :: 7.443 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.377 NE :: 83.929 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 N 0.27 D 0.14 L 0.06 H 0.04 R 0.02 Q 0.02 K 0.02 Y 0.01 F 0.01 P 0.01 E 0.01 C Shift Assignments>> CA :: 52.532 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 :: 7.642 HA :: 4.542 HB2 :: 2.018 HB3 :: 1.827 HG2 :: 2.210 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 :: 119.331 Ave N Shift Values>> N :: 120.68(3.68) P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.41 E 0.12 K 0.11 R 0.1 Q 0.08 H 0.08 V 0.04 P 0.01 L 0.01 C Shift Assignments>> C :: 173.193 CA :: 60.653 CB :: 28.686 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 :: 4.511 HB2 :: 1.737 HB3 :: 1.545 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) R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.37 K 0.2 C Shift Assignments>> C :: 173.217 CA :: 51.615 CB :: 29.068 CG :: 22.671 CD :: 40.669 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 :: 9.280 HA :: 4.607 HB2 :: 1.604 HB3 :: 1.502 HG2 :: 1.375 HD2 :: 3.144 HD3 :: 2.915 HE :: 7.302 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.078 NE :: 81.822 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 L 0.44 A 0.02 R 0.02 HN Overlap>> A79 C Shift Assignments>> C :: 172.737 CA :: 52.637 CB :: 28.803 CG :: 24.206 CD :: 40.719 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 :: 8.319 HA :: 4.799 HB2 :: 1.581 HB3 :: 1.384 HG2 :: 1.137 HG3 :: 1.085 HD2 :: 2.932 HE :: 7.043 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 :: 121.855 NE :: 83.880 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.32 I 0.13 L 0.06 D 0.06 K 0.04 N 0.01 E 0.01 C Shift Assignments>> C :: 170.652 CA :: 58.271 CB :: 39.895 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 :: 9.464 HA :: 4.155 HB :: 1.382 HG2 :: 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 :: 130.434 Ave N Shift Values>> N :: 121.6(4.72) V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.22 R 0.19 H 0.17 Q 0.16 K 0.13 I 0.07 V 0.03 C Shift Assignments>> C :: 173.082 CA :: 58.362 CB :: 30.030 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 :: 8.577 HA :: 4.781 HB :: 1.674 HG1 :: 0.720 HG2 :: 0.396 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.129 Ave N Shift Values>> N :: 121.02(4.96) I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.21 N 0.18 D 0.14 E 0.07 L 0.04 I 0.04 C Shift Assignments>> C :: 170.862 CA :: 55.883 CB :: 38.557 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 :: 8.914 HA :: 4.338 HB :: 1.537 HG2 :: 0.711 HG13 :: 0.991 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 :: 125.437 Ave N Shift Values>> N :: 121.6(4.72) H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 L 0.19 R 0.1 H 0.08 Q 0.06 K 0.05 E 0.01 C Shift Assignments>> C :: 171.972 CA :: 51.623 CB :: 27.437 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 :: 8.508 HA :: 5.115 HB2 :: 2.934 HB3 :: 2.863 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 :: 124.353 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 L 0.29 I 0.11 R 0.05 E 0.03 C Shift Assignments>> C :: 172.650 CA :: 54.937 CB :: 28.958 CD :: 40.211 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.634 HA :: 3.640 HB2 :: 1.620 HE :: 6.631 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 :: 108.600 NE :: 81.452 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 L 0.23 D 0.15 F 0.1 R 0.07 Y 0.07 I 0.03 N 0.02 HN Overlap>> S54 C Shift Assignments>> CA :: 41.816 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.696 HA2 :: 4.497 HA3 :: 3.821 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.251 Ave N Shift Values>> N :: 109.91(4.29) S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.052 CB :: 60.138 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.157 HB2 :: 3.841 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) T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.06 P 0.01 C Shift Assignments>> C :: 173.130 CA :: 53.946 CB :: 66.378 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 :: 7.938 HA :: 4.417 HB :: 4.352 HG2 :: 0.981 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 :: 109.815 Ave N Shift Values>> N :: 115.7(5.05) G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 K 0.22 R 0.13 D 0.12 F 0.09 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 171.416 CA :: 42.182 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.655 HA2 :: 4.343 HA3 :: 3.620 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.791 Ave N Shift Values>> N :: 109.91(4.29) L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.32 L 0.08 Y 0.07 F 0.07 K 0.01 C Shift Assignments>> C :: 174.166 CA :: 52.693 CB :: 39.738 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 :: 8.799 HA :: 3.996 HB2 :: 1.266 HB3 :: 1.125 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 :: 120.464 Ave N Shift Values>> N :: 121.98(4.07) G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.3 G 0.08 D 0.05 K 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.555 CA :: 43.341 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.358 HA2 :: 4.072 HA3 :: 3.704 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.3 Ave N Shift Values>> N :: 109.91(4.29) F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.18 Y 0.1 F 0.08 L 0.03 E 0.02 C Shift Assignments>> C :: 169.674 CA :: 53.341 CB :: 38.421 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 :: 7.082 HA :: 5.249 HB2 :: 3.284 HB3 :: 2.765 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 :: 114.410 Ave N Shift Values>> N :: 120.69(4.18) N30 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 N 0.11 D 0.01 HN Overlap>> Q88 C Shift Assignments>> C :: 171.834 CA :: 48.345 CB :: 38.486 CG :: 173.313(M) 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 :: 8.653 HA :: 5.204 HB2 :: 2.923 HB3 :: 2.627 HD21 :: 7.249 HD22 :: 6.707 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 :: 118.277 ND2 :: 110.572 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.21 Y 0.21 L 0.14 N 0.09 K 0.06 I 0.03 C Shift Assignments>> C :: 173.121 CA :: 55.972 CB :: 40.069 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 :: 8.297 HA :: 5.738 HB :: 1.636 HG2 :: 0.725 HD1 :: 0.333 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 :: 111.087 Ave N Shift Values>> N :: 121.6(4.72) V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.32 R 0.09 E 0.08 H 0.08 V 0.05 Y 0.01 C Shift Assignments>> C :: 170.823 CA :: 56.837 CB :: 33.546 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 :: 9.100 HA :: 4.561 HB :: 2.035 HG2 :: 0.571 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.541 Ave N Shift Values>> N :: 121.02(4.96) G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 K 0.2 L 0.18 F 0.15 Y 0.1 I 0.05 N 0.04 R 0.03 C Shift Assignments>> C :: 172.496 CA :: 41.351 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.315 HA2 :: 4.897 HA3 :: 4.033 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.149 Ave N Shift Values>> N :: 109.91(4.29) G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.29 K 0.08 D 0.06 F 0.05 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.500 CA :: 43.050 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.225 HA2 :: 4.056 HA3 :: 3.922 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.910 Ave N Shift Values>> N :: 109.91(4.29) E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.21 Q 0.15 H 0.14 K 0.13 E 0.04 I 0.01 C Shift Assignments>> C :: 174.135 CA :: 53.907 CB :: 27.487 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 :: 8.963 HA :: 4.352 HB2 :: 1.982 HB3 :: 1.884 HG2 :: 2.216 HG3 :: 2.160 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 :: 121.875 Ave N Shift Values>> N :: 120.68(3.68) D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 D 0.11 Y 0.06 F 0.04 E 0.02 L 0.01 HN Overlap>> R58 C Shift Assignments>> C :: 173.667 CA :: 52.022 CB :: 37.809 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.140 HA :: 4.381 HB2 :: 2.709 HB3 :: 2.463 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 :: 120.971 Ave N Shift Values>> N :: 120.73(4.2) G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.3 G 0.1 D 0.05 F 0.04 K 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 172.680 CA :: 43.494 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.319 HA2 :: 3.903 HA3 :: 3.621 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.746 Ave N Shift Values>> N :: 109.91(4.29) E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.23 Q 0.14 H 0.11 K 0.1 E 0.04 I 0.01 C Shift Assignments>> C :: 173.700 CA :: 54.547 CB :: 27.065 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 :: 8.457 HA :: 4.236 HB2 :: 2.124 HG2 :: 2.401 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 :: 118.541 Ave N Shift Values>> N :: 120.68(3.68) G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 D 0.19 L 0.19 F 0.14 Y 0.09 I 0.05 R 0.04 N 0.03 C Shift Assignments>> C :: 168.655 CA :: 41.479 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.245 HA2 :: 4.101 HA3 :: 3.490 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.349 Ave N Shift Values>> N :: 109.91(4.29) I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.3 E 0.09 H 0.08 R 0.06 N 0.01 Y 0.01 V 0.01 C Shift Assignments>> C :: 172.041 CA :: 54.223 CB :: 33.921 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 :: 8.279 HA :: 4.606 HB :: 1.905 HG2 :: 0.545 HG12 :: 0.545 HD1 :: 0.348 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 :: 118.790 Ave N Shift Values>> N :: 121.6(4.72) F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.19 K 0.08 F 0.05 Y 0.04 R 0.03 C Shift Assignments>> C :: 172.911 CA :: 52.434 CB :: 41.336 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 :: 8.892 HA :: 5.437 HB2 :: 2.530 HB3 :: 2.369 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.271 Ave N Shift Values>> N :: 120.69(4.18) I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.27 V 0.14 E 0.12 R 0.06 H 0.05 Y 0.02 I 0.01 C Shift Assignments>> C :: 172.516 CA :: 58.520 CB :: 33.823 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 :: 8.826 HA :: 4.330 HB :: 1.957 HG2 :: 0.524 HG12 :: 0.519 HD1 :: 0.011 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 :: 119.593 Ave N Shift Values>> N :: 121.6(4.72) S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.671 CA :: 54.564 CB :: 62.916 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.558 HA :: 4.726 HB2 :: 3.978 HB3 :: 3.564 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 :: 120.599 Ave N Shift Values>> N :: 116.3(3.95) F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.2 Y 0.19 L 0.14 N 0.11 K 0.05 I 0.02 C Shift Assignments>> C :: 170.117 CA :: 55.689 CB :: 40.053 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 :: 7.098 HA :: 4.464 HB2 :: 3.316 HB3 :: 2.411 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 :: 120.980 Ave N Shift Values>> N :: 120.69(4.18) I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 K 0.14 Y 0.13 Q 0.08 F 0.05 N 0.05 I 0.03 V 0.01 H 0.01 C Shift Assignments>> C :: 170.873 CA :: 56.278 CB :: 35.836 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 :: 7.899 HA :: 4.014 HB :: 1.444 HG2 :: 0.534 HG12 :: 0.532 HD1 :: 0.315 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 :: 127.230 Ave N Shift Values>> N :: 121.6(4.72) L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.33 L 0.08 F 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 174.314 CA :: 52.256 CB :: 39.845 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 :: 7.374 HA :: 3.864 HB2 :: 1.504 HB3 :: 1.290 HG :: 1.423 HD1 :: 0.928 HD2 :: 0.815 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.919 Ave N Shift Values>> N :: 121.98(4.07) A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 C Shift Assignments>> C :: 176.387 CA :: 50.892 CB :: 14.836 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.867 HA :: 3.964 HB :: 1.251 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.585 Ave N Shift Values>> N :: 123.23(3.7) G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.2 K 0.16 D 0.1 F 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> C :: 171.593 CA :: 42.490 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.470 HA2 :: 4.063 HA3 :: 3.531 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.692 Ave N Shift Values>> N :: 109.91(4.29) G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.2 K 0.17 D 0.1 F 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> CA :: 42.467 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.600 HA2 :: 4.386 HA3 :: 3.659 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.791 Ave N Shift Values>> N :: 109.91(4.29) P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.48 P 0.24 V 0.18 E 0.02 R 0.02 H 0.01 K 0.01 C Shift Assignments>> C :: 176.370 CA :: 63.136 CB :: 29.463 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 :: 4.096 HB2 :: 2.524 HB3 :: 1.974 HG2 :: 1.914 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) A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 176.716 CA :: 51.619 CB :: 16.194 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.404 HA :: 4.077 HB :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.599 Ave N Shift Values>> N :: 123.23(3.7) D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.29 L 0.11 F 0.1 Y 0.1 K 0.02 C Shift Assignments>> C :: 174.891 CA :: 53.863 CB :: 39.911 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 :: 8.738 HA :: 4.155 HB2 :: 2.688 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 :: 123.271 Ave N Shift Values>> N :: 120.73(4.2) L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.19 Y 0.16 F 0.12 L 0.04 E 0.03 I 0.01 C Shift Assignments>> C :: 176.536 CA :: 54.336 CB :: 38.573 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 :: 8.173 HA :: 3.877 HB2 :: 1.578 HB3 :: 1.377 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 :: 116.989 Ave N Shift Values>> N :: 121.98(4.07) S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> G23 C Shift Assignments>> C :: 173.482 CA :: 57.184 CB :: 60.574 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.633 HA :: 4.240 HB2 :: 4.012 HB3 :: 3.823 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 :: 112.211 Ave N Shift Values>> N :: 116.3(3.95) G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.3 G 0.17 D 0.04 F 0.04 K 0.02 Y 0.02 C Shift Assignments>> C :: 172.062 CA :: 43.762 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.440 HA2 :: 3.869 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.276 Ave N Shift Values>> N :: 109.91(4.29) E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.26 Q 0.2 R 0.2 E 0.15 K 0.14 L 0.01 C Shift Assignments>> C :: 173.349 CA :: 54.843 CB :: 30.022 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 :: 7.671 HA :: 4.136 HB2 :: 1.997 HB3 :: 1.524 HG2 :: 2.153 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 :: 117.572 Ave N Shift Values>> N :: 120.68(3.68) L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.24 N 0.13 K 0.07 R 0.07 G 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 172.571 CA :: 51.250 CB :: 42.152 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 :: 7.839 HA :: 4.050 HB2 :: 1.092 HB3 :: 0.921 HG :: 0.934 HD1 :: 0.331 HD2 :: 0.236 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 :: 119.291 Ave N Shift Values>> N :: 121.98(4.07) R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 K 0.17 L 0.02 HN Overlap>> D36 C Shift Assignments>> C :: 172.208 CA :: 50.798 CB :: 30.980 CG :: 22.987 CD :: 40.102 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 :: 9.202 HA :: 4.231 HB2 :: 1.425 HB3 :: 1.266 HG2 :: 1.163 HG3 :: 0.975 HD2 :: 2.540 HD3 :: 2.412 HE :: 6.833 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 :: 120.950 NE :: 83.978 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.28 Q 0.27 R 0.16 E 0.15 L 0.07 K 0.03 I 0.01 C Shift Assignments>> C :: 174.491 CA :: 54.559 CB :: 29.010 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 :: 8.100 HA :: 3.574 HB2 :: 1.330 HG2 :: 1.172 HD2 :: 1.357 HE2 :: 2.895 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 :: 119.965 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.22 R 0.13 D 0.12 F 0.09 Y 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 170.230 CA :: 42.199 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.351 HA2 :: 3.859 HA3 :: 2.697 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.198 Ave N Shift Values>> N :: 109.91(4.29) D61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.48 D 0.28 Y 0.07 F 0.07 L 0.06 C Shift Assignments>> C :: 173.322 CA :: 52.807 CB :: 39.352 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 :: 7.748 HA :: 5.011 HB2 :: 2.700 HB3 :: 1.731(S) 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 :: 118.487 Ave N Shift Values>> N :: 120.73(4.2) Q62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 A 0.38 N 0.15 Q 0.03 C Shift Assignments>> C :: 174.156 CA :: 50.821 CB :: 26.566 CG :: 30.550 CD :: 175.697(S) 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 :: 9.279 HA :: 4.380 HB2 :: 1.677 HB3 :: 1.395 HG2 :: 1.480 HE21 :: 7.334 HE22 :: 6.721 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 :: 122.996 NE2 :: 108.074 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 K 0.21 Q 0.21 V 0.09 Y 0.06 I 0.04 H 0.02 R 0.02 F 0.01 C Shift Assignments>> C :: 171.653 CA :: 58.307 CB :: 34.757 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 :: 8.421 HA :: 3.754 HB :: 1.392 HG2 :: 0.514 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.692 Ave N Shift Values>> N :: 121.6(4.72) L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.18 Y 0.11 F 0.08 L 0.03 E 0.03 C Shift Assignments>> C :: 174.952 CA :: 53.416 CB :: 38.383 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 :: 9.157 HA :: 4.032 HB2 :: 1.453 HB3 :: 1.179 HG :: 1.396 HD1 :: 0.678 HD2 :: 0.494 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 :: 127.791 Ave N Shift Values>> N :: 121.98(4.07) S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.193 CA :: 54.260 CB :: 62.441 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.497 HA :: 5.028 HB2 :: 3.641 HB3 :: 3.186 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 :: 108.400 Ave N Shift Values>> N :: 116.3(3.95) V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 R 0.21 H 0.16 E 0.16 Q 0.09 V 0.07 I 0.01 C Shift Assignments>> C :: 171.638 CA :: 57.460 CB :: 32.084 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 :: 7.903 HA :: 4.500 HB :: 1.543 HG1 :: 0.631 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 :: 117.994 Ave N Shift Values>> N :: 121.02(4.96) N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.98 G 0.01 C Shift Assignments>> C :: 172.099 CA :: 51.240 CB :: 33.239 CG :: 173.851 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.765 HA :: 4.287 HB2 :: 3.095 HB3 :: 2.835 HD21 :: 7.677 HD22 :: 6.733 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 :: 128.635 ND2 :: 110.872 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.18 K 0.18 D 0.1 F 0.07 Y 0.05 I 0.02 G 0.01 N 0.01 C Shift Assignments>> C :: 171.066 CA :: 42.419 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.413 HA2 :: 4.010 HA3 :: 3.392 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.138 Ave N Shift Values>> N :: 109.91(4.29) V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 E 0.16 K 0.15 Q 0.12 R 0.11 H 0.11 V 0.03 L 0.01 P 0.01 C Shift Assignments>> C :: 172.332 CA :: 59.824 CB :: 28.864 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 :: 8.133 HA :: 3.764 HB :: 2.092 HG1 :: 0.830 HG2 :: 0.683 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 :: 123.812 Ave N Shift Values>> N :: 121.02(4.96) D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.2 Y 0.06 F 0.05 L 0.03 C Shift Assignments>> C :: 174.002 CA :: 52.262 CB :: 38.674 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 :: 8.452 HA :: 4.212 HB2 :: 2.688 HB3 :: 2.636 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 :: 127.017 Ave N Shift Values>> N :: 120.73(4.2) L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.33 L 0.07 F 0.03 Y 0.03 C Shift Assignments>> C :: 176.235 CA :: 50.483 CB :: 40.122 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 :: 8.782 HA :: 4.507 HB2 :: 1.556 HB3 :: 1.069 HG :: 1.087 HD1 :: 0.554 HD2 :: 0.475 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 :: 127.161 Ave N Shift Values>> N :: 121.98(4.07) R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 K 0.39 R 0.03 C Shift Assignments>> C :: 172.705 CA :: 58.213 CB :: 27.098 CG :: 26.023 CD :: 40.599 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 :: 8.644 HA :: 3.773 HB2 :: 1.794 HB3 :: 1.655 HG2 :: 1.439 HD2 :: 3.117 HE :: 7.765 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 :: 124.313 NE :: 84.028 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.77 G 0.21 D 0.01 C Shift Assignments>> C :: 171.780 CA :: 48.965 CB :: 36.518 CG :: 174.873 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 :: 8.388 HA :: 4.847 HB2 :: 2.816 HB3 :: 2.313 HD21 :: 7.491 HD22 :: 6.702 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 :: 113.471 ND2 :: 111.645 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 G 0.04 C Shift Assignments>> C :: 174.218 CA :: 49.162 CB :: 18.111 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.678 HA :: 4.255 HB :: 1.273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.673 Ave N Shift Values>> N :: 123.23(3.7) S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 P 0.08 C Shift Assignments>> C :: 172.502 CA :: 53.640 CB :: 62.761 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.141 HA :: 4.900 HB2 :: 4.351 HB3 :: 3.928 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 :: 113.694 Ave N Shift Values>> N :: 116.3(3.95) H76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 I 0.18 L 0.15 Q 0.12 K 0.1 H 0.08 E 0.06 C Shift Assignments>> C :: 174.260 CA :: 58.514 CB :: 26.770 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 :: 8.902 HA :: 3.706 HB2 :: 3.317 HB3 :: 3.031 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 :: 120.840 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.25 Q 0.14 K 0.1 H 0.09 I 0.06 E 0.05 C Shift Assignments>> C :: 176.033 CA :: 56.812 CB :: 26.755 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 :: 8.578 HA :: 3.929 HB2 :: 1.972 HB3 :: 1.797 HG2 :: 2.162 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 :: 116.943 Ave N Shift Values>> N :: 120.68(3.68) Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.94 A 0.02 N 0.01 E 0.01 C Shift Assignments>> C :: 176.861 CA :: 55.817 CB :: 25.797 CG :: 31.325 CD :: 177.163 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 :: 7.612 HA :: 3.775 HB2 :: 2.060 HB3 :: 1.785 HG2 :: 2.340 HG3 :: 2.229 HE21 :: 7.392 HE22 :: 6.767 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 :: 116.959 NE2 :: 110.892 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 HN Overlap>> R17 C Shift Assignments>> C :: 175.101 CA :: 51.986 CB :: 16.510 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.257 HA :: 3.823 HB :: 1.178 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.872 Ave N Shift Values>> N :: 123.23(3.7) A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 I 0.04 C Shift Assignments>> C :: 178.815 CA :: 52.557 CB :: 14.844 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.511 HA :: 3.795 HB :: 1.289 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.759 Ave N Shift Values>> N :: 123.23(3.7) I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 I 0.27 E 0.11 Y 0.07 P 0.05 K 0.03 F 0.02 Q 0.02 C Shift Assignments>> C :: 174.606 CA :: 61.852 CB :: 35.223 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 :: 8.035 HA :: 3.524 HB :: 1.702 HG2 :: 0.760 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 :: 119.541 Ave N Shift Values>> N :: 121.6(4.72) A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 I 0.02 C Shift Assignments>> C :: 178.298 CA :: 52.164 CB :: 14.824 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.767 HA :: 3.948 HB :: 1.294 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.227 Ave N Shift Values>> N :: 123.23(3.7) L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 Y 0.23 F 0.18 D 0.17 E 0.05 L 0.05 I 0.03 C Shift Assignments>> C :: 175.900 CA :: 55.236 CB :: 38.573 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 :: 8.123 HA :: 3.716 HB2 :: 1.757 HB3 :: 1.193 HG :: 1.584 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 :: 115.655 Ave N Shift Values>> N :: 121.98(4.07) K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.23 Q 0.23 E 0.21 R 0.19 K 0.05 I 0.03 L 0.01 C Shift Assignments>> C :: 175.673 CA :: 56.472 CB :: 29.553 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.867 HA :: 3.923 HB2 :: 1.781 HG2 :: 1.311 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 :: 120.762 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.97 G 0.01 D 0.01 C Shift Assignments>> C :: 172.896 CA :: 50.539 CB :: 35.561 CG :: 173.809 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 :: 7.886 HA :: 4.581 HB2 :: 2.897 HB3 :: 2.612 HD21 :: 7.391 HD22 :: 6.846 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 :: 114.849 ND2 :: 111.674 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 173.302 CA :: 50.615 CB :: 17.376 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.867 HA :: 4.059 HB :: 1.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.053 Ave N Shift Values>> N :: 123.23(3.7) G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.2 D 0.19 F 0.13 Y 0.08 I 0.04 R 0.04 N 0.03 C Shift Assignments>> C :: 172.213 CA :: 41.538 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.886 HA2 :: 4.089 HA3 :: 3.625 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.677 Ave N Shift Values>> N :: 109.91(4.29) Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.97 E 0.01 HN Overlap>> N30 C Shift Assignments>> C :: 173.159 CA :: 55.375 CB :: 26.713 CG :: 31.240 CD :: 177.468 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 :: 8.554 HA :: 3.988 HB2 :: 2.080 HB3 :: 1.998 HE21 :: 7.441 HE22 :: 6.848 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 :: 118.230 NE2 :: 111.705 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.53 T 0.46 C Shift Assignments>> C :: 170.633 CA :: 59.418 CB :: 66.734 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 :: 7.750 HA :: 4.482 HB :: 3.762 HG2 :: 0.780 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 :: 114.601 Ave N Shift Values>> N :: 115.7(5.05) V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.22 R 0.21 H 0.16 Q 0.12 K 0.1 V 0.08 I 0.07 C Shift Assignments>> C :: 171.147 CA :: 58.750 CB :: 30.731 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 :: 9.002 HA :: 4.279 HB :: 1.851 HG1 :: 0.641 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 :: 128.268 Ave N Shift Values>> N :: 121.02(4.96) T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 171.789 CA :: 59.456 CB :: 65.578 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 :: 9.041 HA :: 4.677 HB :: 3.921 HG2 :: 0.834 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.152 Ave N Shift Values>> N :: 115.7(5.05) I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.27 D 0.12 N 0.08 I 0.07 L 0.06 E 0.04 C Shift Assignments>> C :: 171.812 CA :: 56.704 CB :: 39.044 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 :: 9.801 HA :: 4.573 HB :: 1.580 HG2 :: 0.638 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 :: 132.333 Ave N Shift Values>> N :: 121.6(4.72) I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 Q 0.24 R 0.15 H 0.13 E 0.09 V 0.04 C Shift Assignments>> C :: 172.246 CA :: 56.312 CB :: 32.850 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 :: 7.745 HA :: 5.051 HB :: 1.828 HG2 :: 0.628 HD1 :: 0.549 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.951 Ave N Shift Values>> N :: 121.6(4.72) A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.97 L 0.01 C Shift Assignments>> C :: 172.387 CA :: 46.467 CB :: 20.208 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.849 HA :: 5.378 HB :: 0.825 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.934 Ave N Shift Values>> N :: 123.23(3.7) Q95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.66 E 0.32 C Shift Assignments>> C :: 170.865 CA :: 51.858 CB :: 29.915 CD :: 175.767(S) 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 :: 8.752 HA :: 4.314 HB2 :: 1.693 HB3 :: 1.442 HG2 :: 2.014 HE21 :: 7.572 HE22 :: 6.792 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 :: 118.761 NE2 :: 109.417 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 K 0.18 Q 0.15 Y 0.09 I 0.03 F 0.03 V 0.03 H 0.01 N 0.01 R 0.01 C Shift Assignments>> C :: 172.250 CA :: 56.843 CB :: 35.353 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 :: 9.038 HA :: 4.953 HB2 :: 2.912 HB3 :: 2.738 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 :: 130.473 Ave N Shift Values>> N :: 120.79(4.69) K97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.31 N 0.24 P 0.18 D 0.11 L 0.04 H 0.03 R 0.01 Q 0.01 K 0.01 Y 0.01 F 0.01 C Shift Assignments>> CA :: 51.496 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.740 HA :: 4.742 HB2 :: 1.863 HE2 :: 2.211(S) 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 :: 128.872 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.7 R 0.05 V 0.05 P 0.04 E 0.04 K 0.03 H 0.02 Q 0.02 C Shift Assignments>> C :: 176.505 CA :: 62.271 CB :: 28.276 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 :: 3.924 HB2 :: 1.785 HB3 :: 1.685 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) E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 L 0.3 R 0.14 I 0.06 Q 0.04 H 0.02 V 0.01 C Shift Assignments>> C :: 176.534 CA :: 57.386 CB :: 24.910 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.603 HA :: 3.918 HB2 :: 1.934 HB3 :: 1.804 HG3 :: 2.103 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 :: 119.340 Ave N Shift Values>> N :: 120.68(3.68) E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 L 0.26 K 0.17 Q 0.11 H 0.07 I 0.06 E 0.03 C Shift Assignments>> C :: 175.752 CA :: 56.782 CB :: 26.339 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 :: 8.322 HA :: 3.862 HB2 :: 2.114 HB3 :: 1.998 HG2 :: 2.430 HG3 :: 2.247 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 :: 121.728 Ave N Shift Values>> N :: 120.68(3.68) Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 Y 0.15 K 0.12 Q 0.06 I 0.06 F 0.05 V 0.02 N 0.01 C Shift Assignments>> C :: 173.561 CA :: 57.390 CB :: 35.848 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 :: 8.238 HA :: 3.167 HB2 :: 2.798 HB3 :: 2.616 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 :: 118.901 Ave N Shift Values>> N :: 120.79(4.69) S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.197 CA :: 58.665 CB :: 60.066 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.570 HA :: 3.794 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 :: 112.045 Ave N Shift Values>> N :: 116.3(3.95) R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 K 0.26 C Shift Assignments>> C :: 172.564 CA :: 55.588 CB :: 26.703 CG :: 24.024 CD :: 40.553 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 :: 7.007 HA :: 3.803 HB2 :: 1.409 HG2 :: 1.159 HG3 :: 0.976 HD2 :: 2.833 HE :: 7.033 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 :: 120.176 NE :: 83.918 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 K 0.18 Q 0.14 Y 0.1 I 0.03 F 0.03 V 0.03 N 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 174.388 CA :: 56.870 CB :: 35.414 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 :: 7.621 HA :: 4.079 HB2 :: 2.868 HB3 :: 2.342 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 :: 117.847 Ave N Shift Values>> N :: 120.69(4.18) E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.22 Q 0.14 H 0.12 K 0.11 E 0.04 I 0.01 C Shift Assignments>> C :: 173.981 CA :: 54.507 CB :: 27.171 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 :: 7.433 HA :: 3.904 HB2 :: 1.792 HB3 :: 1.634 HG2 :: 1.934 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 :: 119.122 Ave N Shift Values>> N :: 120.68(3.68) A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 175.161 CA :: 50.460 CB :: 15.924 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.719 HA :: 4.044 HB :: 1.232 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.115 Ave N Shift Values>> N :: 123.23(3.7) N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.98 D 0.01 C Shift Assignments>> C :: 172.352 CA :: 50.542 CB :: 36.058 CG :: 174.262 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 :: 7.926 HA :: 4.562 HB2 :: 2.706 HB3 :: 2.589 HD21 :: 7.494 HD22 :: 6.760 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 :: 115.943 ND2 :: 112.443 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.672 CA :: 55.545 CB :: 61.062 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.831 HA :: 4.281 HB2 :: 3.691 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 :: 115.192 Ave N Shift Values>> N :: 116.3(3.95) R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 L 0.41 R 0.03 C Shift Assignments>> C :: 172.580 CA :: 54.660 CB :: 28.611 CG :: 24.334 CD :: 40.736 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 :: 7.627 HA :: 4.030 HB2 :: 1.718 HB3 :: 1.579 HG2 :: 1.445 HD2 :: 3.023 HE :: 7.064 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 :: 127.122 NE :: 84.516 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) ########################################################################### Overall Results: #Consistent: 103 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 108 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 109 #Suspicious: 0 C Shift Results: #Consistent: 324 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 H Shift Results: #Consistent: 488 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 118 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: S2 CB = 56.463(S), Expected = 63.80, Std = 1.5700, ChiSquare = 2.9647e-06 N30 CG = 173.313(M), Expected = 176.61, Std = 1.3300, ChiSquare = 1.3177e-02 D61 HB3 = 1.731(S), Expected = 2.70, Std = 0.2900, ChiSquare = 8.3363e-04 Q62 CD = 175.697(S), Expected = 179.68, Std = 1.1700, ChiSquare = 6.6340e-04 Q95 CD = 175.767(S), Expected = 179.68, Std = 1.1700, ChiSquare = 8.2448e-04 K97 HE2 = 2.211(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.2439e-04