L1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 G 0.02 A 0.01 C Shift Assignments>> CA :: 55.59 CB :: 42.25 CG :: 27.2 CD1 :: 25.01 CD2 :: 23.75 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 :: 9.162 HA :: 4.415 HB2 :: 1.803 HB3 :: 1.561 HG :: 1.672 HD1 :: 0.931 HD2 :: 0.713 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 :: 127.26 Ave N Shift Values>> N :: 121.98(4.07) K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 M 0.05 G 0.01 C Shift Assignments>> C :: 177.44 CA :: 58.12 CB :: 33.01 CG :: 24.84 CD :: 29.02 CE :: 42.02 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 :: 8.639 HA :: 4.273 HB2 :: 1.892 HB3 :: 1.889 HG2 :: 1.523 HG3 :: 1.517 HD2 :: 1.737 HD3 :: 1.717 HE2 :: 3.044 HE3 :: 3.044 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.61 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.41 CA :: 59.34 CB :: 63.23 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.42 HA :: 4.497 HB2 :: 4.123 HB3 :: 3.929 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.81 Ave N Shift Values>> N :: 116.3(3.95) T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.55 CA :: 66.24 CB :: 68.04 CG2 :: 22.19 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 :: 7.942 HA :: 3.88 HB :: 4.136 HG2 :: 1.155 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.03 Ave N Shift Values>> N :: 115.7(5.05) F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.29 I 0.28 E 0.05 L 0.01 D 0.01 C Shift Assignments>> C :: 176.23 CA :: 59.41 CB :: 38.72 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 :: 8.353 HA :: 4.38 HB2 :: 3.259 HB3 :: 3.095 HD1 :: 7.21 HD2 :: 7.21 HE1 :: 7.104 HE2 :: 7.104 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 :: 120.42 Ave N Shift Values>> N :: 120.69(4.18) D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.28 L 0.1 K 0.09 I 0.09 D 0.08 N 0.01 C Shift Assignments>> C :: 176.46 CA :: 57.94 CB :: 40.35 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 :: 8.35 HA :: 4.024 HB2 :: 2.744 HB3 :: 2.622 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 :: 119.51 Ave N Shift Values>> N :: 120.73(4.2) D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.23 Y 0.18 L 0.16 D 0.09 I 0.04 C Shift Assignments>> C :: 177.51 CA :: 57.7 CB :: 41.31 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 :: 8.237 HA :: 4.524 HB2 :: 3.097 HB3 :: 2.492 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 :: 119.05 Ave N Shift Values>> N :: 120.73(4.2) I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.85 CA :: 66.02 CB :: 37.73 CG1 :: 27.33 CG2 :: 17.3 CD1 :: 14.68 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 :: 8.693 HA :: 3.898 HB :: 2.052 HG2 :: 1.05 HG12 :: 1.155 HG13 :: 1.048 HD1 :: 0.743 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 :: 121.4 Ave N Shift Values>> N :: 121.6(4.72) K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 G 0.03 M 0.02 C Shift Assignments>> C :: 177.67 CA :: 61.22 CB :: 32.33 CG :: 25.81 CD :: 29.82 CE :: 41.96 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 :: 8.611 HA :: 3.71 HB2 :: 1.873 HB3 :: 1.754 HG2 :: 1.492 HG3 :: 1.492 HD2 :: 1.698 HD3 :: 1.328 HE2 :: 3.001 HE3 :: 3.001 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.83 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.96 M 0.03 C Shift Assignments>> C :: 178.10 CA :: 59.61 CB :: 32.42 CG :: 25.02 CD :: 28.84 CE :: 41.27 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 :: 7.361 HA :: 3.954 HB2 :: 1.944 HB3 :: 1.9 HG2 :: 1.605 HG3 :: 1.569 HD2 :: 1.68 HD3 :: 1.637 HE2 :: 2.987 HE3 :: 2.987 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 :: 117.59 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.33 CA :: 64.65 CB :: 38.89 CG1 :: 29.07 CG2 :: 18.37 CD1 :: 13.53 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 :: 7.315 HA :: 3.74 HB :: 1.984 HG2 :: 0.79 HG12 :: 1.759 HG13 :: 1.197 HD1 :: 0.86 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 :: 119.51 Ave N Shift Values>> N :: 121.6(4.72) I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.29 CA :: 65.78 CB :: 38.38 CG1 :: 24.83 CG2 :: 19.25 CD1 :: 12.87 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 :: 8.514 HA :: 3.409 HB :: 1.889 HG2 :: 0.891 HG12 :: 1.528 HG13 :: 1.316 HD1 :: 0.874 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 :: 119.48 Ave N Shift Values>> N :: 121.6(4.72) S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.01 CA :: 61.11 CB :: 63.87 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.427 HA :: 4.282 HB2 :: 3.931 HB3 :: 3.896 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 :: 113.5 Ave N Shift Values>> N :: 116.3(3.95) K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 M 0.05 G 0.02 C Shift Assignments>> C :: 177.41 CA :: 58.62 CB :: 32.63 CG :: 25.08 CD :: 29.17 CE :: 42.18 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 :: 7.487 HA :: 4.144 HB2 :: 1.94 HB3 :: 1.94 HG2 :: 1.464 HG3 :: 1.368 HD2 :: 1.678 HD3 :: 1.676 HE2 :: 2.858 HE3 :: 2.964 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.48 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.37 E 0.15 M 0.06 I 0.02 C Shift Assignments>> C :: 178.75 CA :: 58.2 CB :: 28.86 CG :: 33.59 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 :: 8.142 HA :: 3.999 HB2 :: 2.156 HB3 :: 2.058 HG2 :: 2.417 HG3 :: 2.386 HE21 :: 7.568 HE22 :: 6.87 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.17 NE2 :: 112.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 A 0.11 G 0.01 C Shift Assignments>> C :: 177.26 CA :: 53.99 CB :: 41.62 CG :: 27.16 CD1 :: 22.84 CD2 :: 22.79 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 :: 8.378 HA :: 4.58 HB2 :: 1.747 HB3 :: 1.747 HG :: 1.667 HD1 :: 0.91 HD2 :: 0.786 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 :: 113.24 Ave N Shift Values>> N :: 121.98(4.07) S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.18 CA :: 58.77 CB :: 61.11 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.722 HA :: 4.136 HB2 :: 4.103 HB3 :: 4.043 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 :: 113.86 Ave N Shift Values>> N :: 116.3(3.95) V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 I 0.12 A 0.07 K 0.01 C Shift Assignments>> C :: 173.82 CA :: 58.78 CB :: 35.15 CG1 :: 24.7 CG2 :: 21.56 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 :: 7.306 HA :: 4.51 HB :: 1.851 HG1 :: 0.88 HG2 :: 0.891 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 :: 115.08 Ave N Shift Values>> N :: 121.02(4.96) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 I 0.15 K 0.09 M 0.09 Q 0.02 C Shift Assignments>> C :: 174.59 CA :: 57.14 CB :: 29.94 CG :: 36.85 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 :: 8.773 HA :: 4.103 HB2 :: 2.154 HB3 :: 1.887 HG2 :: 2.363 HG3 :: 2.363 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 :: 126.18 Ave N Shift Values>> N :: 120.68(3.68) E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 E 0.39 K 0.03 M 0.02 C Shift Assignments>> C :: 177.90 CA :: 60.62 CB :: 30.02 CG :: 37 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 :: 8.814 HA :: 3.71 HB2 :: 2.091 HB3 :: 2.002 HG2 :: 2.378 HG3 :: 2.378 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 :: 122.62 Ave N Shift Values>> N :: 120.68(3.68) D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 F 0.19 Y 0.19 L 0.14 N 0.11 K 0.06 I 0.02 C Shift Assignments>> C :: 178.27 CA :: 55.67 CB :: 40.08 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 :: 8.381 HA :: 4.38 HB2 :: 2.653 HB3 :: 2.34 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 :: 114.24 Ave N Shift Values>> N :: 120.73(4.2) K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 M 0.05 G 0.03 C Shift Assignments>> C :: 177.04 CA :: 55.89 CB :: 32.62 CG :: 25.75 CD :: 29.06 CE :: 42.3 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 :: 7.644 HA :: 4.234 HB2 :: 1.899 HB3 :: 1.899 HG2 :: 1.483 HG3 :: 1.399 HD2 :: 1.645 HD3 :: 1.645 HE2 :: 2.997 HE3 :: 2.997 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 :: 117.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.07 CA :: 62.56 CB :: 38.06 CG1 :: 28.61 CG2 :: 19.31 CD1 :: 10.98 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 :: 7.401 HA :: 3.75 HB :: 1.927 HG2 :: 0.894 HG12 :: 1.449 HG13 :: 1.335 HD1 :: 0.682 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 :: 119.74 Ave N Shift Values>> N :: 121.6(4.72) Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 Q 0.29 K 0.13 E 0.06 C Shift Assignments>> C :: 173.92 CA :: 52.97 CB :: 31.01 CG :: 33.35 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 :: 8.755 HA :: 4.903 HB2 :: 1.996 HB3 :: 1.996 HG2 :: 2.34 HG3 :: 2.284 HE21 :: 7.132 HE22 :: 6.751 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.98 NE2 :: 112.28 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 A 0.02 C Shift Assignments>> C :: 176.99 CA :: 58.71 CB :: 31.52 CG :: 30.92 CE :: 16.99 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.844 HA :: 3.834 HB2 :: 1.912 HB3 :: 1.879 HG2 :: 2.615 HG3 :: 2.194 HE :: 2.068 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 :: 119.96 Ave N Shift Values>> N :: 120.1(3.88) N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 D 0.11 Y 0.05 F 0.03 E 0.01 M 0.01 L 0.01 C Shift Assignments>> C :: 175.40 CA :: 51.51 CB :: 37.93 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 :: 7.749 HA :: 4.756 HB2 :: 2.981 HB3 :: 2.699 HD21 :: 7.478 HD22 :: 6.738 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 109.3 ND2 :: 111.29 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.01 CA :: 61.38 CB :: 63.11 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.641 HA :: 4.138 HB2 :: 3.883 HB3 :: 3.598 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.95 Ave N Shift Values>> N :: 116.3(3.95) N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.26 L 0.16 K 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 172.27 CA :: 52.46 CB :: 40.87 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 :: 10.344 HA :: 4.821 HB2 :: 2.754 HB3 :: 2.607 HD21 :: 7.955 HD22 :: 7.356 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 :: 126.13 ND2 :: 115.16 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 F 0.18 Y 0.17 E 0.01 C Shift Assignments>> C :: 177.68 CA :: 62.24 CB :: 38.73 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 :: 7.947 HA :: 4.037 HB2 :: 3.179 HB3 :: 2.889 HD1 :: 6.98 HD2 :: 6.98 HE1 :: 6.742 HE2 :: 6.742 HZ :: 6.891 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 :: 124.04 Ave N Shift Values>> N :: 120.69(4.18) T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.21 CA :: 64.04 CB :: 69.33 CG2 :: 21.73 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 :: 8.497 HA :: 4.625 HB :: 4.228 HG2 :: 1.296 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 :: 109.79 Ave N Shift Values>> N :: 115.7(5.05) K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 M 0.03 G 0.02 C Shift Assignments>> C :: 177.04 CA :: 58.83 CB :: 33.39 CG :: 25.45 CD :: 29.41 CE :: 42.15 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 :: 8.34 HA :: 4.143 HB2 :: 1.734 HB3 :: 1.734 HG2 :: 1.486 HG3 :: 1.385 HD2 :: 1.636 HD3 :: 1.636 HE2 :: 2.996 HE3 :: 2.996 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 :: 120.93 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 K 0.24 D 0.14 F 0.11 Y 0.08 G 0.02 N 0.01 C Shift Assignments>> C :: 177.54 CA :: 56.04 CB :: 42.62 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 :: 8.178 HA :: 5.004 HB2 :: 2.952 HB3 :: 2.882 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 :: 113.43 Ave N Shift Values>> N :: 120.73(4.2) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 A 0.21 K 0.06 G 0.04 C Shift Assignments>> C :: 177.51 CA :: 54.19 CB :: 42.16 CG :: 28.68 CD1 :: 26.77 CD2 :: 22.52 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 :: 7.063 HA :: 4.598 HB2 :: 2.338 HB3 :: 1.723 HG :: 1.476 HD1 :: 0.83 HD2 :: 0.808 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 :: 114.37 Ave N Shift Values>> N :: 121.98(4.07) G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 176.66 CA :: 46.62 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.237 HA2 :: 3.955 HA3 :: 3.87 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.52 Ave N Shift Values>> N :: 109.91(4.29) A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 L 0.01 C Shift Assignments>> C :: 174.38 CA :: 52.33 CB :: 19.86 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.247 HA :: 4.449 HB :: 1.189 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.08 Ave N Shift Values>> N :: 123.23(3.7) D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.24 N 0.16 K 0.09 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> CA :: 51.76 CB :: 41.85 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 :: 9.461 HA :: 4.91 HB2 :: 2.887 HB3 :: 3.094 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.4 Ave N Shift Values>> N :: 120.73(4.2) S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 176.85 CA :: 60.71 CB :: 65.46 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.618 HA :: 4.164 HB2 :: 4.17 HB3 :: 4.089 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.29 Ave N Shift Values>> N :: 116.3(3.95) L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 A 0.01 V 0.01 C Shift Assignments>> C :: 176.20 CA :: 57.82 CB :: 40.91 CG :: 27.53 CD1 :: 24.24 CD2 :: 22.33 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 :: 7.856 HA :: 4.194 HB2 :: 1.741 HB3 :: 1.741 HG :: 1.297 HD1 :: 0.93 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 :: 125.5 Ave N Shift Values>> N :: 121.98(4.07) D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.31 I 0.2 E 0.05 D 0.02 L 0.02 C Shift Assignments>> C :: 177.81 CA :: 58.67 CB :: 38.85 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 :: 8.226 HA :: 4.281 HB2 :: 2.775 HB3 :: 2.775 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 :: 119.19 Ave N Shift Values>> N :: 120.73(4.2) L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 HN Overlap>> N52 C Shift Assignments>> C :: 179.39 CA :: 57.89 CB :: 41.39 CG :: 26.53 CD1 :: 24.56 CD2 :: 23.25 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 :: 7.924 HA :: 3.806 HB2 :: 1.738 HB3 :: 1.554 HG :: 1.658 HD1 :: 0.757 HD2 :: 0.685 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 :: 118.15 Ave N Shift Values>> N :: 121.98(4.07) V41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.31 CA :: 66.72 CB :: 32.02 CG1 :: 20.53 CG2 :: 19.38 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 :: 7.251(D) HA :: 3.584 HB :: 2.24 HG1 :: 1.112 HG2 :: 0.962 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 :: 119.34(D) Ave N Shift Values>> N :: 121.02(4.96) E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.31 K 0.13 Q 0.05 M 0.02 C Shift Assignments>> C :: 179.00 CA :: 59.3 CB :: 28.94 CG :: 36.21 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 :: 7.722 HA :: 4.019 HB2 :: 2.058 HB3 :: 1.711 HG2 :: 2.31 HG3 :: 2.31 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 :: 118.48 Ave N Shift Values>> N :: 120.68(3.68) L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 G 0.02 C Shift Assignments>> C :: 179.77 CA :: 58.17 CB :: 41.99 CG :: 27.16 CD1 :: 24.91 CD2 :: 24.89 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 :: 8.563 HA :: 3.921 HB2 :: 1.546 HB3 :: 1.546 HG :: 1.382 HD1 :: 0.304 HD2 :: 0.527 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 :: 122.64 Ave N Shift Values>> N :: 121.98(4.07) I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.98 CA :: 64.18 CB :: 35.87 CG1 :: 27.21 CG2 :: 17.8 CD1 :: 10.25 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 :: 8.276 HA :: 3.497 HB :: 2.144 HG2 :: 0.788 HG12 :: 1.469 HG13 :: 1.228 HD1 :: 0.649 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 :: 119.84 Ave N Shift Values>> N :: 121.6(4.72) M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 I 0.02 C Shift Assignments>> C :: 178.35 CA :: 59.32 CB :: 33.13 CG :: 31.98 CE :: 16.33 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 :: 4.397 HB2 :: 2.156 HB3 :: 2.156 HG2 :: 2.796 HG3 :: 2.567 HE :: 2.08 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.63 Ave N Shift Values>> N :: 120.1(3.88) A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.43 I 0.02 V 0.01 C Shift Assignments>> C :: 179.01 CA :: 55.01 CB :: 18.7 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.97 HA :: 4.271 HB :: 1.529 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.11 Ave N Shift Values>> N :: 123.23(3.7) L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 K 0.02 G 0.02 V 0.01 C Shift Assignments>> C :: 181.39 CA :: 58.21 CB :: 41.86 CG :: 28.52 CD1 :: 24.98 CD2 :: 23.67 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 :: 8.52 HA :: 4.19 HB2 :: 2.275 HB3 :: 2.145 HG :: 1.402 HD1 :: 0.713 HD2 :: 0.933 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 :: 119.65 Ave N Shift Values>> N :: 121.98(4.07) E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 E 0.43 M 0.03 K 0.02 C Shift Assignments>> C :: 179.08 CA :: 60.23 CB :: 30.33 CG :: 37.24 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 :: 8.507 HA :: 4.09 HB2 :: 2.197 HB3 :: 2.047 HG2 :: 2.359 HG3 :: 2.359 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 :: 118.81 Ave N Shift Values>> N :: 120.68(3.68) E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.22 K 0.09 M 0.07 Q 0.03 C Shift Assignments>> C :: 179.80 CA :: 58.82 CB :: 30.08 CG :: 36.44 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 :: 7.853 HA :: 4.08 HB2 :: 2.187 HB3 :: 2.081 HG2 :: 2.754 HG3 :: 2.367 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 :: 117.14 Ave N Shift Values>> N :: 120.68(3.68) K50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.93 M 0.04 G 0.02 C Shift Assignments>> C :: 178.69 CA :: 57.56 CB :: 32.16 CG :: 24.19 CD :: 27.77 CE :: 42.12 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 :: 8.000 HA :: 3.983 HB2 :: 1.722 HB3 :: 1.409 HG2 :: 0.772 HG3 :: 0.130(S) HD2 :: 1.479 HD3 :: 1.338 HE2 :: 2.728 HE3 :: 2.547 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 :: 117.52 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.33 I 0.17 D 0.04 L 0.04 E 0.02 N 0.01 K 0.01 C Shift Assignments>> C :: 177.69 CA :: 58.39 CB :: 39.31 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 :: 8.071 HA :: 4.623 HB2 :: 3.43 HB3 :: 2.817 HD1 :: 7.569 HD2 :: 7.569 HE1 :: 7.293 HE2 :: 7.293 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 :: 112.2 Ave N Shift Values>> N :: 120.69(4.18) N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 E 0.2 Y 0.15 M 0.08 F 0.08 D 0.05 K 0.02 I 0.01 HN Overlap>> L40 C Shift Assignments>> C :: 174.38 CA :: 54.49 CB :: 37.02 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 :: 7.895 HA :: 4.511 HB2 :: 3.178 HB3 :: 2.76 HD21 :: 7.514 HD22 :: 6.746 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.16 ND2 :: 111.81 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 I 0.08 A 0.06 C Shift Assignments>> C :: 174.30 CA :: 58.81 CB :: 35.73 CG1 :: 22.09 CG2 :: 19.72 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 :: 7.574 HA :: 4.798 HB :: 2.218 HG1 :: 0.945 HG2 :: 0.823 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 :: 109.88 Ave N Shift Values>> N :: 121.02(4.96) T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.47 CA :: 61.56 CB :: 70.39 CG2 :: 21.55 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 :: 8.408 HA :: 4.592 HB :: 3.942 HG2 :: 1.13 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.04 Ave N Shift Values>> N :: 115.7(5.05) I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.91 CA :: 60.82 CB :: 38.07 CG1 :: 26.6 CG2 :: 16.89 CD1 :: 13.96 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 :: 9.836 HA :: 4.16 HB :: 2.17 HG2 :: 0.487 HG12 :: 1.56 HG13 :: 1.157 HD1 :: 0.791 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 :: 130.07 Ave N Shift Values>> N :: 121.6(4.72) S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.76 CA :: 57.79 CB :: 64.93 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.924 HA :: 4.408 HB2 :: 4.287 HB3 :: 4.05 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 :: 124.05 Ave N Shift Values>> N :: 116.3(3.95) D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.31 I 0.1 D 0.09 L 0.08 K 0.03 N 0.02 E 0.01 C Shift Assignments>> C :: 174.19 CA :: 57.63 CB :: 39.72 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 :: 8.827 HA :: 4.235 HB2 :: 2.8 HB3 :: 2.65 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 :: 121.27 Ave N Shift Values>> N :: 120.73(4.2) Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.31 E 0.26 I 0.07 M 0.02 C Shift Assignments>> C :: 178.43 CA :: 58.63 CB :: 28.65 CG :: 34.51 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 :: 8.093 HA :: 4.002 HB2 :: 1.987 HB3 :: 1.987 HG2 :: 2.393 HG3 :: 2.393 HE21 :: 7.568 HE22 :: 6.87 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 :: 116.73 NE2 :: 113.02 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.14 L 0.14 K 0.11 I 0.05 N 0.03 HN Overlap>> V66 C Shift Assignments>> C :: 178.45 CA :: 57.04 CB :: 40.41 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 :: 7.693 HA :: 4.363 HB2 :: 2.713 HB3 :: 2.301 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 :: 120.66 Ave N Shift Values>> N :: 120.73(4.2) A60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.57 A 0.37 I 0.03 C Shift Assignments>> C :: 178.92 CA :: 55.24 CB :: 18.36 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.570(D) HA :: 3.62 HB :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.31(D) Ave N Shift Values>> N :: 123.23(3.7) L61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.94 G 0.03 A 0.01 C Shift Assignments>> C :: 179.61 CA :: 56.51 CB :: 42.37 CG :: 26.5 CD1 :: 25.22 CD2 :: 23.25 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 :: 7.070(D) HA :: 4.09 HB2 :: 1.853 HB3 :: 1.756 HG :: 1.592 HD1 :: 0.871 HD2 :: 0.892 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 :: 115.78(D) Ave N Shift Values>> N :: 121.98(4.07) K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 M 0.07 G 0.03 C Shift Assignments>> C :: 177.83 CA :: 55.61 CB :: 32.76 CG :: 25.3 CD :: 29.32 CE :: 42.33 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 :: 7.285 HA :: 4.343 HB2 :: 2.089 HB3 :: 1.838 HG2 :: 1.537 HG3 :: 1.416 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 3.017 HE3 :: 3.017 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 :: 115.44 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.06 CA :: 61.03 CB :: 36.59 CG1 :: 27.02 CG2 :: 17.2 CD1 :: 12.5 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 :: 7.318 HA :: 4.101 HB :: 1.952 HG2 :: 0.839 HG12 :: 1.566 HG13 :: 1.429 HD1 :: 0.326 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 :: 121.52 Ave N Shift Values>> N :: 121.6(4.72) N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.27 K 0.2 F 0.08 Y 0.06 N 0.05 C Shift Assignments>> C :: 173.00 CA :: 54.43 CB :: 41.92 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 :: 9.07 HA :: 5.122 HB2 :: 2.763 HB3 :: 2.763 HD21 :: 7.595 HD22 :: 6.798 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.54 ND2 :: 113.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 A 0.31 C Shift Assignments>> C :: 175.55 CA :: 58.14 CB :: 73.86 CG2 :: 21.62 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 :: 8.389 HA :: 4.925 HB :: 4.038 HG2 :: 0.997 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.5 Ave N Shift Values>> N :: 115.7(5.05) V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> D59 C Shift Assignments>> C :: 174.99 CA :: 67.52 CB :: 30.9 CG1 :: 21.27 CG2 :: 20.47 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 :: 7.747 HA :: 3.43 HB :: 2.473 HG1 :: 0.97 HG2 :: 0.954 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 :: 120.74 Ave N Shift Values>> N :: 121.02(4.96) Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.37 E 0.15 M 0.04 I 0.03 C Shift Assignments>> C :: 179.01 CA :: 58.8 CB :: 28.52 CG :: 33.65 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 :: 8.264 HA :: 3.78 HB2 :: 1.908 HB3 :: 1.803 HG2 :: 2.264 HG3 :: 2.196 HE21 :: 7.717 HE22 :: 6.517 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 :: 119.35 NE2 :: 113.76 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 L 0.25 F 0.18 Y 0.13 D 0.07 I 0.02 G 0.01 C Shift Assignments>> C :: 177.06 CA :: 57.59 CB :: 42.35 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 :: 7.838 HA :: 4.369 HB2 :: 3.225 HB3 :: 2.973 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 Ave N Shift Values>> N :: 120.73(4.2) A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.24 I 0.07 C Shift Assignments>> C :: 179.25 CA :: 55.65 CB :: 17.41 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.889 HA :: 3.99 HB :: 1.542 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.29 Ave N Shift Values>> N :: 123.23(3.7) I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.95 CA :: 65.83 CB :: 38.11 CG1 :: 26.67 CG2 :: 17.49 CD1 :: 13.91 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 :: 8.361 HA :: 3.31 HB :: 1.91 HG2 :: 0.839 HG12 :: 1.863 HG13 :: 1.227 HD1 :: 0.696 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 :: 118.63 Ave N Shift Values>> N :: 121.6(4.72) D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 L 0.12 D 0.11 K 0.09 I 0.07 N 0.02 C Shift Assignments>> C :: 177.40 CA :: 57.39 CB :: 40.27 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 :: 8.804 HA :: 4.28 HB2 :: 2.779 HB3 :: 2.585 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 :: 119.11 Ave N Shift Values>> N :: 120.73(4.2) Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 F 0.17 Y 0.15 C Shift Assignments>> C :: 178.68 CA :: 62.54 CB :: 38.78 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.873 HA :: 3.892 HB2 :: 3.05 HB3 :: 3.007 HD1 :: 6.891 HD2 :: 6.891 HE1 :: 6.636 HE2 :: 6.636 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 :: 119.58 Ave N Shift Values>> N :: 120.79(4.69) I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.50 CA :: 64.24 CB :: 37.3 CG1 :: 27.47 CG2 :: 17.61 CD1 :: 15.49 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 :: 8.252 HA :: 3.464 HB :: 1.763 HG2 :: 0.355 HG12 :: 1.332 HG13 :: 1.12 HD1 :: 0.763 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.36 Ave N Shift Values>> N :: 121.6(4.72) E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.4 K 0.06 M 0.02 C Shift Assignments>> C :: 178.14 CA :: 59.04 CB :: 29.41 CG :: 37.15 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 :: 8.638 HA :: 4.009 HB2 :: 2.034 HB3 :: 2.034 HG2 :: 2.506 HG3 :: 2.193 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 :: 117.69 Ave N Shift Values>> N :: 120.68(3.68) K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 M 0.06 G 0.01 C Shift Assignments>> C :: 178.71 CA :: 58.01 CB :: 32.71 CG :: 24.81 CD :: 29.09 CE :: 41.98 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 :: 7.639 HA :: 4.11 HB2 :: 1.788 HB3 :: 1.718 HG2 :: 1.366 HG3 :: 1.366 HD2 :: 1.547 HD3 :: 1.547 HE2 :: 2.855 HE3 :: 2.855 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 :: 117.33 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.27 K 0.2 F 0.08 Y 0.06 N 0.06 C Shift Assignments>> C :: 177.36 CA :: 54.4 CB :: 41.92 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 :: 7.551 HA :: 4.661 HB2 :: 2.748 HB3 :: 2.342 HD21 :: 6.939 HD22 :: 6.745 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.13 ND2 :: 114.97 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.23 Y 0.11 F 0.09 L 0.05 E 0.01 C Shift Assignments>> C :: 174.48 CA :: 53.69 CB :: 38.88 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 :: 8.006 HA :: 4.721 HB2 :: 3.191 HB3 :: 2.862 HD21 :: 7.564 HD22 :: 6.89 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 :: 119.24 ND2 :: 111.5 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 M 0.07 G 0.02 C Shift Assignments>> C :: 174.89 CA :: 56.18 CB :: 32.92 CG :: 24.63 CD :: 28.9 CE :: 42.1 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 :: 8.185 HA :: 4.373 HB2 :: 1.923 HB3 :: 1.797 HG2 :: 1.462 HG3 :: 1.445 HD2 :: 1.702 HD3 :: 1.702 HE2 :: 3.024 HE3 :: 3.024 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.61 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 E 0.27 M 0.2 K 0.19 I 0.02 C Shift Assignments>> C :: 175.70 CA :: 57.55 CB :: 30.44 CG :: 34.36 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 :: 7.996 HA :: 4.167 HB2 :: 2.135 HB3 :: 1.95 HG2 :: 2.331 HG3 :: 2.331 HE21 :: 7.512 HE22 :: 6.811 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 :: 126.62 NE2 :: 112.4 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 75 #Clerical: 3 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 79 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 0 C Shift Results: #Consistent: 342 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 489 #Duplicate: 3 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 87 #Duplicate: 3 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: V41 H = 7.251(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.4336e-01 V41 N = 119.34(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.3483e-01 K50 HG3 = 0.130(S), Expected = 1.37, Std = 0.2900, ChiSquare = 1.9040e-05 A60 H = 8.570(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3745e-01 A60 N = 123.31(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.8275e-01 L61 H = 7.070(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.6855e-02 L61 N = 115.78(D), Expected = 121.98, Std = 4.0700, ChiSquare = 1.2767e-01