M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.37 A 0.15 C Shift Assignments>> C :: 175.816 CA :: 55.232 CB :: 33.763 CG :: 31.742 CE :: 16.913 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 :: 8.248 HA :: 4.507 HB2 :: 2.092 HB3 :: 1.978 HG2 :: 2.569 HG3 :: 2.532 HE :: 2.094 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 :: 118.291 Ave N Shift Values>> N :: 120.1(3.88) G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.533 CA :: 45.448 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.322 HA2 :: 4.179 HA3 :: 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 :: 110.647 Ave N Shift Values>> N :: 109.91(4.29) L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.21 G 0.16 R 0.05 A 0.03 C Shift Assignments>> C :: 175.161 CA :: 54.689 CB :: 43.818 CG :: 26.425 CD1 :: 25.881 CD2 :: 23.164 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 :: 8.396 HA :: 4.413 HB2 :: 1.524 HB3 :: 1.282 HG :: 1.610 HD1 :: 0.773 HD2 :: 0.836 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.888 Ave N Shift Values>> N :: 121.98(4.07) K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.41 R 0.09 G 0.05 A 0.01 C Shift Assignments>> C :: 178.322 CA :: 52.243 CB :: 34.306 CG :: 24.522 CD :: 27.784 CE :: 42.459 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 :: 8.998 HA :: 4.367 HB2 :: 1.961 HB3 :: 1.635 HG2 :: 1.412 HG3 :: 1.385 HD2 :: 1.479 HD3 :: 1.443 HE2 :: 2.934 HE3 :: 2.879 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 :: 119.866 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) W5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.49 C 0.47 H 0.03 C Shift Assignments>> C :: 176.327 CA :: 60.667 CB :: 30.773 CD1 :: 128.359 CE3 :: 120.391 CZ2 :: 115.469 CZ3 :: 122.031 CH2 :: 124.572 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.805 HA :: 4.369 HB2 :: 3.422 HB3 :: 3.171 HD1 :: 7.204 HE1 :: 10.725 HE3 :: 7.464 HZ2 :: 7.338 HZ3 :: 6.892 HH2 :: 6.675 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.409 NE1 :: 128.419 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 176.167 CA :: 61.754 CB :: 68.549 CG2 :: 22.348 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.972 HA :: 4.177 HB :: 4.625 HG2 :: 1.339 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 :: 128.183 Ave N Shift Values>> N :: 115.7(5.05) D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.22 C 0.15 Y 0.1 F 0.09 L 0.06 E 0.01 C Shift Assignments>> C :: 176.247 CA :: 53.873 CB :: 39.198 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 :: 8.448 HA :: 5.146 HB2 :: 3.144 HB3 :: 3.073 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.408 Ave N Shift Values>> N :: 120.73(4.2) S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.534 CA :: 62.026 CB :: 62.298 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.983 HA :: 4.005 HB2 :: 4.051 HB3 :: 3.716 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 :: 114.918 Ave N Shift Values>> N :: 116.3(3.95) R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.31 K 0.21 L 0.08 G 0.03 HN Overlap>> E55 C Shift Assignments>> C :: 177.460 CA :: 58.765 CB :: 28.871 CG :: 26.697 CD :: 42.731 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 :: 8.542 HA :: 4.293 HB2 :: 1.921 HB3 :: 1.823 HG2 :: 1.664 HG3 :: 1.579 HD2 :: 3.243 HD3 :: 3.231 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 :: 120.759 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.31 E 0.17 K 0.01 C Shift Assignments>> C :: 180.860 CA :: 60.939 CB :: 29.414 CG :: 37.567 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.239 HA :: 3.961 HB2 :: 2.146 HB3 :: 1.916 HG2 :: 2.558 HG3 :: 2.273 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 :: 119.415 Ave N Shift Values>> N :: 120.68(3.68) I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.492 CA :: 66.374 CB :: 38.111 CG1 :: 31.045 CG2 :: 20.174 CD1 :: 13.924 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 :: 8.662 HA :: 3.628 HB :: 1.733 HG2 :: 0.894 HG12 :: 2.163 HG13 :: 0.661 HD1 :: 0.818 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 :: 118.966 Ave N Shift Values>> N :: 121.6(4.72) G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 P 0.27 C 0.24 A 0.09 N 0.04 D 0.01 L 0.01 C Shift Assignments>> C :: 175.241 CA :: 48.166 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.637 HA2 :: 3.611 HA3 :: 3.763 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.168 Ave N Shift Values>> N :: 109.91(4.29) E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.27 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.801 CA :: 59.852 CB :: 29.142 CG :: 36.480 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 :: 8.416 HA :: 3.949 HB2 :: 2.054 HB3 :: 2.054 HG2 :: 2.574 HG3 :: 2.216 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 :: 118.965 Ave N Shift Values>> N :: 120.68(3.68) A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.03 C 0.03 C Shift Assignments>> C :: 181.275 CA :: 54.960 CB :: 18.272 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.814 HA :: 4.165 HB :: 1.539 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.787 Ave N Shift Values>> N :: 123.23(3.7) L15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 L 0.44 R 0.04 C Shift Assignments>> C :: 177.173 CA :: 57.678 CB :: 40.557 CG :: 27.512 CD1 :: 26.425 CD2 :: 22.620 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.385 HA :: 3.740 HB2 :: 1.129 HB3 :: -0.153(S) HG :: 0.768 HD1 :: 1.630 HD2 :: 0.795 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 :: 120.535 Ave N Shift Values>> N :: 121.98(4.07) Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 176.806 CA :: 60.396 CB :: 38.111 CD1 :: 133.281 CD2 :: 133.281 CE1 :: 118.516 CE2 :: 118.516 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 :: 7.171 HA :: 4.121 HB2 :: 3.051 HB3 :: 2.981 HD1 :: 7.444 HD2 :: 7.444 HE1 :: 7.005 HE2 :: 7.005 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 :: 118.062 Ave N Shift Values>> N :: 120.79(4.69) D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.19 D 0.12 F 0.12 C 0.11 Y 0.09 R 0.09 N 0.01 I 0.01 C Shift Assignments>> C :: 177.971 CA :: 56.319 CB :: 41.683 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 :: 7.539 HA :: 4.083 HB2 :: 2.633 HB3 :: 2.503 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.697 Ave N Shift Values>> N :: 120.73(4.2) A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.34 C 0.02 HN Overlap>> A56 C Shift Assignments>> C :: 177.684 CA :: 53.798 CB :: 18.815 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.622 HA :: 3.852 HB :: 0.886 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.415 Ave N Shift Values>> N :: 123.23(3.7) Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> CA :: 55.232 CB :: 38.383 CD1 :: 133.749 CD2 :: 133.749 CE1 :: 116.875 CE2 :: 116.875 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 :: 7.889 HA :: 4.906 HB2 :: 3.000 HB3 :: 3.036 HD1 :: 6.884 HD2 :: 6.884 HE1 :: 6.279 HE2 :: 6.279 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.040 Ave N Shift Values>> N :: 120.79(4.69) P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.09 C Shift Assignments>> C :: 177.412 CA :: 65.016 CB :: 31.860 CG :: 26.968 CD :: 50.069 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 :: 4.409 HB2 :: 2.077 HB3 :: 1.852 HG2 :: 1.771 HG3 :: 1.890 HD2 :: 3.408 HD3 :: 3.241 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) D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.16 N 0.15 C 0.11 K 0.08 F 0.07 Y 0.06 R 0.01 C Shift Assignments>> C :: 176.055 CA :: 53.798 CB :: 40.828 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 :: 8.512 HA :: 4.770 HB2 :: 2.643 HB3 :: 2.780 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.597 Ave N Shift Values>> N :: 120.73(4.2) L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.21 G 0.16 R 0.05 C Shift Assignments>> C :: 175.736 CA :: 54.145 CB :: 43.818 CG :: 26.968 CD1 :: 25.066 CD2 :: 24.522 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 :: 7.285 HA :: 4.363 HB2 :: 1.734 HB3 :: 1.542 HG :: 1.453 HD1 :: 0.613 HD2 :: 0.683 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.658 Ave N Shift Values>> N :: 121.98(4.07) D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.19 C 0.17 L 0.14 K 0.04 F 0.03 R 0.02 G 0.02 Y 0.02 C Shift Assignments>> CA :: 50.340 CB :: 41.644 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 :: 8.483 HA :: 4.903 HB2 :: 2.853 HB3 :: 2.696 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 :: 123.917 Ave N Shift Values>> N :: 120.73(4.2) P24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 176.726 CA :: 63.657 CB :: 30.501 CG :: 26.697 CD :: 50.884 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 :: 3.460 HB2 :: 1.209 HB3 :: 0.444(S) HG2 :: 1.475 HG3 :: 0.925 HD2 :: 3.875 HD3 :: 3.814 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) K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.42 R 0.13 M 0.01 C Shift Assignments>> C :: 177.811 CA :: 58.765 CB :: 31.588 CG :: 25.610 CD :: 28.871 CE :: 41.100 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 :: 8.038 HA :: 3.966 HB2 :: 1.853 HB3 :: 1.778 HG2 :: 1.421 HG3 :: 1.421 HD2 :: 1.781 HD3 :: 1.721 HE2 :: 3.040 HE3 :: 3.040 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 :: 115.813 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.715 CA :: 60.939 CB :: 69.907 CG2 :: 21.533 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 :: 7.810 HA :: 4.425 HB :: 4.477 HG2 :: 1.135 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 :: 106.375 Ave N Shift Values>> N :: 115.7(5.05) V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 175.577 CA :: 62.570 CB :: 33.219 CG1 :: 22.620 CG2 :: 22.077 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.794 HA :: 4.047 HB :: 2.071 HG1 :: 1.013 HG2 :: 0.938 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.667 Ave N Shift Values>> N :: 121.02(4.96) R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.34 G 0.11 K 0.08 C Shift Assignments>> CA :: 54.417 CB :: 31.317 CG :: 26.968 CD :: 43.546 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 :: 8.907 HA :: 4.499 HB2 :: 1.928 HB3 :: 1.752 HG2 :: 1.789 HG3 :: 1.698 HD2 :: 3.247 HD3 :: 3.189 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.035 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 F 0.48 C Shift Assignments>> CA :: 60.124 CB :: 37.295 CD1 :: 130.468 CD2 :: 130.468 CE1 :: 131.874 CE2 :: 131.874 CZ :: 130.000 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 :: 8.983 HA :: 4.418 HB2 :: 3.197 HB3 :: 3.197 HD1 :: 7.285 HD2 :: 7.285 HE1 :: 7.390 HE2 :: 7.390 HZ :: 7.305 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 :: 124.186 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 0.96 C 0.03 C Shift Assignments>> C :: 176.630 CA :: 65.016 CB :: 68.005 CG2 :: 22.077 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 :: 8.002 HA :: 3.958 HB :: 4.095 HG2 :: 1.216 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 :: 109.709 Ave N Shift Values>> N :: 115.7(5.05) D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 F 0.16 Y 0.15 L 0.14 C 0.14 K 0.1 N 0.05 I 0.02 R 0.01 C Shift Assignments>> C :: 175.529 CA :: 56.047 CB :: 40.557 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 :: 6.634 HA :: 4.140 HB2 :: 2.249 HB3 :: 1.800 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 :: 121.438 Ave N Shift Values>> N :: 120.73(4.2) M32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.43 I 0.02 C Shift Assignments>> C :: 176.916 CA :: 59.037 CB :: 34.034 CG :: 32.675 CE :: 18.000 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 :: 7.539 HA :: 3.631 HB2 :: 2.187 HB3 :: 2.067 HG2 :: 2.803 HG3 :: 2.700 HE :: 2.278 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 :: 116.497 Ave N Shift Values>> N :: 120.1(3.88) H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.4 C 0.39 H 0.19 C Shift Assignments>> C :: 176.231 CA :: 61.754 CB :: 31.045 CD2 :: 118.750 CE1 :: 138.905 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 :: 8.225 HA :: 3.990 HB2 :: 3.134 HB3 :: 3.134 HD2 :: 6.945 HE1 :: 7.867 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 :: 116.043 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.24 Q 0.23 R 0.1 E 0.07 M 0.02 I 0.02 C Shift Assignments>> C :: 177.444 CA :: 58.765 CB :: 28.055 CG :: 33.491 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 :: 7.055 HA :: 3.796 HB2 :: 2.218 HB3 :: 2.111 HG2 :: 2.452 HG3 :: 2.452 HE21 :: 7.807 HE22 :: 6.843 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 :: 118.066 NE2 :: 115.352 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.43 C Shift Assignments>> C :: 180.094 CA :: 57.678 CB :: 28.871 CD1 :: 124.609 CE3 :: 118.750 CZ2 :: 114.063 CZ3 :: 121.328 CH2 :: 124.609 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.840 HA :: 4.669 HB2 :: 3.282 HB3 :: 3.076 HD1 :: 7.146 HE1 :: 9.840 HE3 :: 7.173 HZ2 :: 7.321 HZ3 :: 7.040 HH2 :: 7.168 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.516 NE1 :: 127.284 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.37 V 0.05 C Shift Assignments>> C :: 176.790 CA :: 65.016 CB :: 38.111 CG1 :: 30.501 CG2 :: 16.913 CD1 :: 18.000 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 :: 8.271 HA :: 3.406 HB :: 1.690 HG2 :: 1.144 HG12 :: 2.094 HG13 :: 0.721 HD1 :: -0.005 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 :: 118.740 Ave N Shift Values>> N :: 121.6(4.72) C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.35 C 0.09 R 0.03 W 0.02 K 0.01 C Shift Assignments>> C :: 175.497 CA :: 62.298 CB :: 26.425 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.238 HA :: 3.155 HB2 :: 2.885 HB3 :: 2.698 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 114.245 Ave N Shift Values>> N :: 119.95(4.79) D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.23 K 0.14 C 0.1 R 0.07 F 0.06 N 0.06 Y 0.05 C Shift Assignments>> C :: 177.077 CA :: 54.109 CB :: 41.768 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 :: 7.385 HA :: 4.698 HB2 :: 2.881 HB3 :: 2.724 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 :: 116.499 Ave N Shift Values>> N :: 120.73(4.2) L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.37 A 0.05 R 0.05 C Shift Assignments>> C :: 179.535 CA :: 55.776 CB :: 41.372 CG :: 25.881 CD1 :: 26.697 CD2 :: 22.348 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 :: 7.739 HA :: 4.197 HB2 :: 2.067 HB3 :: 1.573 HG :: 2.359 HD1 :: 0.829 HD2 :: 0.791 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 :: 124.141 Ave N Shift Values>> N :: 121.98(4.07) E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.17 K 0.07 Q 0.03 M 0.03 C Shift Assignments>> C :: 177.604 CA :: 59.309 CB :: 29.686 CG :: 36.208 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 :: 8.845 HA :: 4.011 HB2 :: 2.068 HB3 :: 1.968 HG2 :: 2.320 HG3 :: 2.320 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 :: 124.811 Ave N Shift Values>> N :: 120.68(3.68) D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.15 N 0.14 C 0.12 F 0.1 Y 0.09 K 0.07 R 0.01 C Shift Assignments>> C :: 175.704 CA :: 54.420 CB :: 40.557 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 :: 8.409 HA :: 4.721 HB2 :: 2.955 HB3 :: 2.421 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 :: 113.347 Ave N Shift Values>> N :: 120.73(4.2) F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.29 C Shift Assignments>> C :: 175.353 CA :: 60.667 CB :: 40.285 CD1 :: 131.640 CD2 :: 131.640 CE1 :: 130.703 CE2 :: 130.703 CZ :: 129.531 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 :: 7.602 HA :: 4.044 HB2 :: 3.039 HB3 :: 2.960 HD1 :: 6.708 HD2 :: 6.708 HE1 :: 6.116 HE2 :: 6.116 HZ :: 5.617 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.434 Ave N Shift Values>> N :: 120.69(4.18) D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 R 0.11 C 0.11 K 0.09 N 0.05 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 172.655 CA :: 52.786 CB :: 42.459 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 :: 8.385 HA :: 4.678 HB2 :: 2.279 HB3 :: 2.175 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 :: 129.309 Ave N Shift Values>> N :: 120.73(4.2) D44 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.93 C 0.03 L 0.01 C Shift Assignments>> C :: 174.204 CA :: 50.612 CB :: 45.448 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 :: 5.295(M) HA :: 4.670 HB2 :: 1.824 HB3 :: 2.125 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 :: 118.965 Ave N Shift Values>> N :: 120.73(4.2) D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 C 0.13 N 0.1 K 0.07 R 0.07 F 0.03 G 0.02 Y 0.02 C Shift Assignments>> CA :: 51.699 CB :: 42.187 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 :: 9.951 HA :: 5.020 HB2 :: 3.052 HB3 :: 2.877 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 :: 121.663 Ave N Shift Values>> N :: 120.73(4.2) P46 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> C 0.58 P 0.41 C Shift Assignments>> C :: 177.524 CA :: 65.831 CB :: 33.763 CG :: 28.014 CD :: 51.699 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 :: 4.870 HB2 :: 2.915 HB3 :: 2.355 HG2 :: 2.348 HG3 :: 2.348 HD2 :: 4.640(M) HD3 :: 4.232 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) Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.23 E 0.17 R 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 176.518 CA :: 56.047 CB :: 28.636 CG :: 34.578 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 :: 8.612 HA :: 4.482 HB2 :: 2.372 HB3 :: 2.165 HG2 :: 2.552 HG3 :: 2.437 HE21 :: 7.720 HE22 :: 6.875 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.343 NE2 :: 112.301 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.02 C Shift Assignments>> C :: 176.215 CA :: 51.971 CB :: 19.359 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.840 HA :: 4.490 HB :: 1.651 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.438 Ave N Shift Values>> N :: 123.23(3.7) S49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.703 CA :: 57.678 CB :: 62.842 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.841 HA :: 3.139 HB2 :: 2.747(S) HB3 :: 2.050(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.097 Ave N Shift Values>> N :: 116.3(3.95) N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.25 C 0.13 Y 0.05 L 0.05 F 0.05 C Shift Assignments>> C :: 174.810 CA :: 52.514 CB :: 39.470 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 :: 6.620 HA :: 4.497 HB2 :: 2.990 HB3 :: 2.990 HD21 :: 7.475 HD22 :: 6.795 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 :: 112.668 ND2 :: 114.019 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 C 0.3 E 0.2 K 0.02 C Shift Assignments>> C :: 177.588 CA :: 60.939 CB :: 29.142 CG :: 37.023 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 :: 8.915 HA :: 3.711 HB2 :: 2.032 HB3 :: 2.032 HG2 :: 2.239 HG3 :: 2.239 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 :: 118.490 Ave N Shift Values>> N :: 120.68(3.68) K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.32 R 0.3 M 0.01 G 0.01 C Shift Assignments>> C :: 180.318 CA :: 58.765 CB :: 31.317 CG :: 24.908 CD :: 28.327 CE :: 42.187 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 :: 7.967 HA :: 4.148 HB2 :: 1.923 HB3 :: 1.859 HG2 :: 1.565 HG3 :: 1.486 HD2 :: 1.704 HD3 :: 1.704 HE2 :: 2.993 HE3 :: 2.993 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 :: 120.004 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.029 CA :: 63.929 CB :: 39.198 CG1 :: 29.958 CG2 :: 18.815 CD1 :: 13.108 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 :: 8.052 HA :: 3.845 HB :: 1.634 HG2 :: 1.020 HG12 :: 1.674 HG13 :: 1.201 HD1 :: 0.785 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 :: 122.787 Ave N Shift Values>> N :: 121.6(4.72) L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.47 R 0.03 HN Overlap>> A65 C Shift Assignments>> C :: 178.562 CA :: 57.678 CB :: 40.557 CG :: 26.968 CD1 :: 26.697 CD2 :: 23.435 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 :: 7.681 HA :: 4.081 HB2 :: 1.376 HB3 :: 0.979 HG :: 1.625 HD1 :: 0.715 HD2 :: 0.868 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 :: 119.192 Ave N Shift Values>> N :: 121.98(4.07) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.25 K 0.03 M 0.02 HN Overlap>> R9 C Shift Assignments>> C :: 177.604 CA :: 59.852 CB :: 29.958 CG :: 36.752 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 :: 8.561 HA :: 4.050 HB2 :: 2.318 HB3 :: 2.201 HG2 :: 2.489 HG3 :: 2.339 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 :: 120.764 Ave N Shift Values>> N :: 120.68(3.68) A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.31 I 0.04 C 0.03 V 0.01 HN Overlap>> A18 C Shift Assignments>> C :: 180.717 CA :: 55.504 CB :: 18.272 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.635 HA :: 4.201 HB :: 1.638 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.408 Ave N Shift Values>> N :: 123.23(3.7) I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.17 V 0.01 C Shift Assignments>> C :: 177.412 CA :: 65.287 CB :: 39.470 CG1 :: 30.773 CG2 :: 19.087 CD1 :: 15.554 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 :: 7.360 HA :: 3.771 HB :: 2.065 HG2 :: 1.020 HG12 :: 2.208 HG13 :: 1.290 HD1 :: 1.346 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 :: 118.291 Ave N Shift Values>> N :: 121.6(4.72) L58 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> L 0.47 C 0.34 R 0.15 G 0.01 C Shift Assignments>> C :: 178.290 CA :: 58.222 CB :: 42.187 CG :: 27.240 CD1 :: 26.153 CD2 :: 23.435 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 :: 8.606 HA :: 4.410 HB2 :: 2.296 HB3 :: 1.678 HG :: 1.730 HD1 :: 1.050 HD2 :: 1.073 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 :: 58.147(M) Ave N Shift Values>> N :: 121.98(4.07) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.37 R 0.07 C Shift Assignments>> C :: 180.078 CA :: 58.493 CB :: 41.644 CG :: 27.082 CD1 :: 25.338 CD2 :: 23.164 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 :: 8.424 HA :: 4.130 HB2 :: 1.961 HB3 :: 1.640 HG :: 1.996 HD1 :: 0.992 HD2 :: 0.953 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 :: 116.721 Ave N Shift Values>> N :: 121.98(4.07) V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.795 CA :: 66.103 CB :: 31.860 CG1 :: 21.805 CG2 :: 21.533 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 :: 7.257 HA :: 3.878 HB :: 2.480 HG1 :: 1.136 HG2 :: 1.267 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.965 Ave N Shift Values>> N :: 121.02(4.96) W61 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.45 C Shift Assignments>> C :: 178.785 CA :: 59.037 CB :: 30.501 CD1 :: 124.843 CE3 :: 120.859 CZ2 :: 45.448(M) CZ3 :: 121.094 CH2 :: 124.300 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.228 HA :: 4.497 HB2 :: 3.804 HB3 :: 3.339 HD1 :: 7.579 HE1 :: 11.28 HE3 :: 7.557 HZ2 :: 7.657 HZ3 :: 7.149 HH2 :: 7.140 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.235 NE1 :: 128.414 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (CZ2 > CA : 1.0000) L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.34 R 0.19 K 0.02 G 0.01 C Shift Assignments>> C :: 178.977 CA :: 58.493 CB :: 42.187 CG :: 27.512 CD1 :: 26.425 CD2 :: 24.251 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 :: 9.179 HA :: 3.832 HB2 :: 1.947 HB3 :: 1.538 HG :: 1.643 HD1 :: 0.894 HD2 :: 0.763 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 :: 117.619 Ave N Shift Values>> N :: 121.98(4.07) D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 L 0.17 F 0.15 D 0.13 Y 0.12 C 0.12 R 0.05 N 0.02 I 0.02 C Shift Assignments>> C :: 178.482 CA :: 56.591 CB :: 41.224 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 :: 7.572 HA :: 4.523 HB2 :: 2.891 HB3 :: 2.721 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 :: 118.065 Ave N Shift Values>> N :: 120.73(4.2) E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.31 K 0.13 Q 0.1 M 0.06 I 0.05 C Shift Assignments>> C :: 178.833 CA :: 57.406 CB :: 29.686 CG :: 35.665 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 :: 8.186 HA :: 3.991 HB2 :: 1.903 HB3 :: 1.609 HG2 :: 2.417 HG3 :: 2.077 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.519 Ave N Shift Values>> N :: 120.68(3.68) A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.19 C 0.03 L 0.02 HN Overlap>> L54 C Shift Assignments>> C :: 176.981 CA :: 52.514 CB :: 19.902 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.724 HA :: 4.288 HB :: 1.519 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.190 Ave N Shift Values>> N :: 123.23(3.7) E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 I 0.15 M 0.06 K 0.02 C Shift Assignments>> CA :: 58.765 CB :: 30.773 CG :: 37.023 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 :: 7.461 HA :: 4.061 HB2 :: 2.061 HB3 :: 2.061 HG2 :: 2.330 HG3 :: 2.330 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 :: 124.586 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 59 #Clerical: 0 #Suspicious: 3 #Anomalous: 3 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 65 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 65 #Suspicious: 1 C Shift Results: #Consistent: 299 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 392 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 2 N Shift Results: #Consistent: 68 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: L15 HB3 = -0.153(S), Expected = 1.57, Std = 0.3600, ChiSquare = 1.7004e-06 P24 HB3 = 0.444(S), Expected = 2.05, Std = 0.3900, ChiSquare = 3.8226e-05 D44 H = 5.295(M), Expected = 8.33, Std = 0.5700, ChiSquare = 1.0120e-07 P46 HD2 = 4.640(M), Expected = 3.64, Std = 0.3600, ChiSquare = 5.4732e-03 S49 HB2 = 2.747(S), Expected = 3.88, Std = 0.2900, ChiSquare = 9.3489e-05 S49 HB3 = 2.050(S), Expected = 3.87, Std = 0.3100, ChiSquare = 4.3326e-09 L58 N = 58.147(M), Expected = 121.98, Std = 4.0700, ChiSquare = 1.9527e-55 W61 Typing: Mistyped W61 CZ2 = 45.448(M), Expected = 114.19, Std = 1.0900, ChiSquare = 0.0000e+00 W61 SRO Rule Break>> CZ2 > CA : 1