Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.44 I 0.39 A 0.14 C Shift Assignments>> CE :: 17.096 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>> HE1 :: 1.964 HE2 :: 1.964 HE3 :: 1.964 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) 1.R2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 G 0.1 K 0.09 C Shift Assignments>> CA :: 56.240 CB :: 31.030 CG :: 27.355 CD :: 43.634 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 :: 8.249 HA :: 4.302 HB2 :: 1.701 HB3 :: 1.754 HG2 :: 1.573 HD2 :: 3.062 HD3 :: 3.123 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.164 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> CA :: 50.825 CB :: 18.360 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.408 HA :: 4.540 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.388 Ave N Shift Values>> N :: 123.23(3.7) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.626 CA :: 63.310 CB :: 32.129 CG :: 27.894 CD :: 51.110 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 :: 4.396 HB2 :: 1.823 HB3 :: 2.203 HG2 :: 1.949 HG3 :: 1.897 HD2 :: 3.540 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) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 A 0.01 C Shift Assignments>> C :: 174.738 CA :: 58.870 CB :: 39.016 CG1 :: 27.179 CG2 :: 17.683 CD1 :: 13.206 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 :: 7.971 HA :: 4.410 HB :: 1.797 HG12 :: 1.028 HG13 :: 1.409 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 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 :: 122.100 Ave N Shift Values>> N :: 121.6(4.72) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.230 CB :: 32.320 CG :: 27.700 CD :: 50.673 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 :: 4.311 HB2 :: 1.746 HB3 :: 2.241 HG2 :: 2.041 HG3 :: 1.954 HD2 :: 4.089 HD3 :: 3.690 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.27 M 0.16 Q 0.12 K 0.1 HN Overlap>> 1.L105 1.L105 C Shift Assignments>> CA :: 54.502 CB :: 30.320 CG :: 35.503 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 :: 8.380 HA :: 4.424 HB2 :: 1.889 HG2 :: 2.316 HG3 :: 2.498 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 :: 124.355 Ave N Shift Values>> N :: 120.68(3.68) 1.P8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 62.440 CB :: 31.600 CG :: 27.412 CD :: 50.677 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 :: 4.245 HB2 :: 0.578(S) HB3 :: 1.809 HG2 :: 1.003 HG3 :: 1.310 HD2 :: 2.803 HD3 :: 2.854 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.29 R 0.2 G 0.03 M 0.03 C Shift Assignments>> CA :: 53.050 CB :: 32.370 CG :: 24.842 CD :: 29.144 CE :: 42.589 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.059 HA :: 4.745 HB2 :: 1.762 HG2 :: 1.529 HD2 :: 1.715 HE2 :: 3.057 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 :: 121.550 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.25 C Shift Assignments>> C :: 176.978 CA :: 64.949 CB :: 32.005 CG :: 28.689 CD :: 51.127 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 :: 3.961 HB2 :: 1.996 HB3 :: 1.928 HG2 :: 2.093 HD2 :: 3.915 HD3 :: 4.147 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 172.948 CA :: 45.340 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.571 HA2 :: 4.252 HA3 :: 3.302 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.490 Ave N Shift Values>> N :: 109.91(4.29) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.23 K 0.12 D 0.11 C 0.1 F 0.06 Y 0.04 G 0.02 C Shift Assignments>> C :: 176.379 CA :: 55.490 CB :: 42.870 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 :: 8.329 HA :: 4.925 HB2 :: 2.856 HB3 :: 2.577 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 :: 121.570 Ave N Shift Values>> N :: 120.73(4.2) 1.L13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.64 C 0.26 R 0.04 A 0.03 C Shift Assignments>> CA :: 54.660 CB :: 41.566 CG :: 26.590 CD1 :: 26.045 CD2 :: 23.323 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 :: 9.391 HA :: 4.824 HB2 :: 1.563 HB3 :: 2.616 HG :: 1.209 HD11 :: 2.211(S) HD12 :: 2.211(S) HD13 :: 2.211(S) HD21 :: 0.814 HD22 :: 0.814 HD23 :: 0.814 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 :: 121.170 Ave N Shift Values>> N :: 121.98(4.07) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.47 A 0.02 C Shift Assignments>> C :: 172.932 CA :: 58.330 CB :: 38.800 CG1 :: 27.015 CG2 :: 17.984 CD1 :: 11.828 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 :: 9.254 HA :: 4.541 HB :: 1.712 HG12 :: 1.159 HG13 :: 1.490 HG21 :: 0.558 HG22 :: 0.558 HG23 :: 0.558 HD11 :: 0.591 HD12 :: 0.591 HD13 :: 0.591 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.480 Ave N Shift Values>> N :: 121.6(4.72) 1.E15 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.39 M 0.29 E 0.25 Q 0.04 K 0.01 C Shift Assignments>> C :: 174.905 CA :: 54.703 CB :: 32.000 CG :: 35.929 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 :: 8.671 HA :: 3.398 HB2 :: 1.491 HB3 :: 0.507(S) HG2 :: 0.908(S) HG3 :: 0.605(A) 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 :: 130.480 Ave N Shift Values>> N :: 120.68(3.68) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.806 CA :: 61.020 CB :: 40.290 CG1 :: 28.594 CG2 :: 18.449 CD1 :: 15.005 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 :: 8.599 HA :: 4.379 HB :: 1.533 HG12 :: 1.350 HG21 :: 0.818 HG22 :: 0.818 HG23 :: 0.818 HD11 :: 0.466 HD12 :: 0.466 HD13 :: 0.466 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.500 Ave N Shift Values>> N :: 121.6(4.72) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Y 0.29 F 0.28 C Shift Assignments>> C :: 176.100 CA :: 57.050 CB :: 36.890 CD1 :: 131.358 CE1 :: 130.463 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 :: 9.073 HA :: 4.388 HB2 :: 2.871 HB3 :: 2.940 HD1 :: 6.980 HE1 :: 7.021 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 :: 130.190 Ave N Shift Values>> N :: 120.69(4.18) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 G 0.3 R 0.16 L 0.12 K 0.01 C Shift Assignments>> C :: 174.954 CA :: 55.800 CB :: 27.560 CG :: 28.560 CD :: 44.364 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.321 HA :: 4.374 HB2 :: 1.663 HG2 :: 1.367 HG3 :: 1.555 HD2 :: 2.840 HD3 :: 3.223 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.790 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 178.124 CA :: 66.337 CB :: 31.664 CG :: 28.293 CD :: 50.653 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 :: 3.969 HB2 :: 1.915 HB3 :: 1.392 HG2 :: 1.910 HG3 :: 2.051 HD2 :: 3.562 HD3 :: 3.668 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.35 C 0.26 C Shift Assignments>> C :: 175.511 CA :: 58.130 CB :: 39.660 CD1 :: 132.135 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 :: 8.189 HA :: 4.766 HB2 :: 3.042 HB3 :: 3.448 HD1 :: 7.286 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 :: 112.550 Ave N Shift Values>> N :: 120.69(4.18) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.45 C Shift Assignments>> C :: 172.283 CA :: 57.270 CB :: 39.449 CD1 :: 133.981 CE1 :: 118.297 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 :: 7.372 HA :: 4.782 HB2 :: 3.350 HB3 :: 3.115 HD1 :: 7.020 HE1 :: 6.900 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.630 Ave N Shift Values>> N :: 120.79(4.69) 1.R22 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.34 C 0.32 G 0.31 K 0.01 C Shift Assignments>> C :: 175.885 CA :: 53.820 CB :: 31.000 CG :: 27.444 CD :: 44.360 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 :: 8.418 HA :: 4.731 HB2 :: 1.833 HB3 :: 1.587 HG2 :: 1.577 HD2 :: 3.549 HD3 :: 4.564(A) 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 :: 120.060 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H23 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 W 0.11 H 0.03 C Shift Assignments>> C :: 172.820 CA :: 55.010 CB :: 34.700 CD2 :: 114.244 CE1 :: 141.744(A) 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 :: 8.879 HA :: 5.392 HB2 :: 2.721 HB3 :: 2.813 HD2 :: 6.461 HE1 :: 8.501 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 :: 125.590 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.W24 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 W 0.26 C Shift Assignments>> C :: 174.044 CA :: 56.107 CB :: 34.444 CD1 :: 125.736 CE3 :: 115.826(A) CZ2 :: 114.514 CZ3 :: 120.441 CH2 :: 125.659 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 :: 6.192 HA :: 5.613 HB2 :: 3.320 HB3 :: 2.427 HD1 :: 7.078 HE1 :: 9.913 HE3 :: 5.602 HZ2 :: 7.255 HZ3 :: 7.495 HH2 :: 7.080 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.691 NE1 :: 130.270 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (HE3 > HA : 1.0000) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.25 A 0.14 M 0.06 K 0.06 P 0.06 R 0.01 C Shift Assignments>> C :: 174.293 CA :: 50.310 CB :: 23.470 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.399 HA :: 4.993 HB1 :: 1.152 HB2 :: 1.152 HB3 :: 1.152 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.370 Ave N Shift Values>> N :: 123.23(3.7) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 G 0.19 I 0.06 C Shift Assignments>> C :: 174.101 CA :: 59.120 CB :: 43.420 CG1 :: 29.236 CG2 :: 15.687 CD1 :: 16.553 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 :: 9.176 HA :: 5.509 HB :: 1.469 HG12 :: 1.600 HG13 :: 0.704 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 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 :: 119.960 Ave N Shift Values>> N :: 121.6(4.72) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 C 0.29 F 0.26 C Shift Assignments>> C :: 176.728 CA :: 60.040 CB :: 39.120 CD1 :: 133.245 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.595 HA :: 4.699 HB2 :: 2.733 HB3 :: 3.256 HD1 :: 6.628 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 :: 129.950 Ave N Shift Values>> N :: 120.79(4.69) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 174.725 CA :: 60.800 CB :: 32.516 CG1 :: 21.596 CG2 :: 19.510 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.396 HA :: 4.653 HB :: 2.472 HG11 :: 0.770 HG12 :: 0.770 HG13 :: 0.770 HG21 :: 0.591 HG22 :: 0.591 HG23 :: 0.591 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 :: 119.070 Ave N Shift Values>> N :: 121.02(4.96) 1.G29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.428 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.19 F 0.17 Y 0.17 C 0.15 L 0.12 N 0.07 K 0.06 I 0.02 C Shift Assignments>> C :: 174.444 CA :: 55.970 CB :: 40.170 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>> HA :: 4.386 HB2 :: 2.698 HB3 :: 3.096 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.685 CA :: 45.441 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.021 HA2 :: 4.138 HA3 :: 3.810 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 100.231 Ave N Shift Values>> N :: 109.91(4.29) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.37 G 0.01 C Shift Assignments>> C :: 175.028 CA :: 59.820 CB :: 42.000 CD1 :: 133.419 CE1 :: 117.960 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 :: 7.865 HA :: 4.720 HB2 :: 2.830 HB3 :: 2.434 HD1 :: 6.750 HE1 :: 7.000 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 :: 120.940 Ave N Shift Values>> N :: 120.79(4.69) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.12 A 0.06 V 0.02 C Shift Assignments>> C :: 174.609 CA :: 57.810 CB :: 35.430 CG1 :: 24.283 CG2 :: 18.329 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.220 HA :: 5.414 HB :: 2.059 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 0.384 HG22 :: 0.384 HG23 :: 0.384 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 :: 110.760 Ave N Shift Values>> N :: 121.02(4.96) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.029 CA :: 61.450 CB :: 34.250 CG1 :: 21.437 CG2 :: 23.243 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.928 HA :: 5.535 HB :: 1.633 HG11 :: 0.983 HG12 :: 0.983 HG13 :: 0.983 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 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 :: 120.660 Ave N Shift Values>> N :: 121.02(4.96) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 W 0.18 H 0.06 Y 0.01 C Shift Assignments>> C :: 171.643 CA :: 55.000 CB :: 35.040 CD2 :: 114.368 CE1 :: 137.268 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.264 HA :: 5.091 HB2 :: 3.551 HD2 :: 6.969 HE1 :: 7.683 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.520 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.32 C 0.29 G 0.23 R 0.11 A 0.02 C Shift Assignments>> C :: 174.925 CA :: 53.880 CB :: 43.790 CG :: 25.643 CD1 :: 23.738 CD2 :: 27.139 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 :: 8.049 HA :: 4.590 HB2 :: 0.875 HB3 :: 1.904 HG :: 0.598 HD11 :: -0.183(S) HD12 :: -0.183(S) HD13 :: -0.183(S) HD21 :: 1.056 HD22 :: 1.056 HD23 :: 1.056 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 :: 118.900 Ave N Shift Values>> N :: 121.98(4.07) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 C 0.11 L 0.07 M 0.07 G 0.02 C Shift Assignments>> C :: 175.422 CA :: 49.570 CB :: 21.590 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.642 HA :: 4.729 HB1 :: 1.031 HB2 :: 1.031 HB3 :: 1.031 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.840 Ave N Shift Values>> N :: 123.23(3.7) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.59 C 0.39 C Shift Assignments>> CA :: 61.273 CB :: 31.240 CG :: 27.707 CD :: 50.700 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 :: 4.812 HB2 :: 1.846 HB3 :: 2.377 HG2 :: 1.951 HG3 :: 2.039 HD2 :: 3.574 HD3 :: 3.685 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.341 CB :: 32.259 CG :: 27.998 CD :: 50.688 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 :: 4.318 HB2 :: 2.168 HB3 :: 1.951 HG2 :: 1.837 HG3 :: 1.986 HD2 :: 3.669 HD3 :: 3.829 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y66 1.Y66 C Shift Assignments>> C :: 174.544 CA :: 58.990 CB :: 64.260 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.302 HA :: 4.356 HB2 :: 3.867 HB3 :: 3.804 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.880 Ave N Shift Values>> N :: 116.3(3.95) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.1 I 0.06 K 0.04 Q 0.01 C Shift Assignments>> C :: 176.497 CA :: 57.010 CB :: 30.690 CG :: 36.723 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 :: 8.476 HA :: 4.300 HB2 :: 2.012 HB3 :: 1.890 HG2 :: 2.188 HG3 :: 2.215 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.300 Ave N Shift Values>> N :: 120.68(3.68) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.23 M 0.02 C Shift Assignments>> C :: 176.132 CA :: 62.490 CB :: 33.100 CG2 :: 21.071 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.162 HA :: 4.088 HB :: 2.029 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 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 :: 122.380 Ave N Shift Values>> N :: 121.02(4.96) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.24 C 0.03 L 0.01 C Shift Assignments>> C :: 178.432 CA :: 53.070 CB :: 19.440 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.406 HA :: 4.291 HB1 :: 1.367 HB2 :: 1.367 HB3 :: 1.367 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.860 Ave N Shift Values>> N :: 123.23(3.7) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.362 CA :: 45.610 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.415 HA2 :: 3.907 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.990 Ave N Shift Values>> N :: 109.91(4.29) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.7 M 0.25 C 0.02 C Shift Assignments>> C :: 178.451 CA :: 53.070 CB :: 19.300 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.290 HB1 :: 1.346 HB2 :: 1.346 HB3 :: 1.346 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.285 CA :: 45.550 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.393 HA2 :: 3.922 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.480 Ave N Shift Values>> N :: 109.91(4.29) 1.A47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.68 M 0.26 C 0.02 C Shift Assignments>> C :: 178.193 CA :: 53.248 CB :: 19.239 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.290 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.040 CA :: 58.990 CB :: 64.071 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.129 HA :: 4.391 HB2 :: 3.816 HB3 :: 3.866 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.040 Ave N Shift Values>> N :: 116.3(3.95) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.19 M 0.01 C Shift Assignments>> C :: 176.624 CA :: 63.090 CB :: 32.890 CG2 :: 21.370 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 :: 7.979 HA :: 4.109 HB :: 2.100 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 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 :: 121.610 Ave N Shift Values>> N :: 121.02(4.96) 1.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.43 A 0.09 C Shift Assignments>> C :: 176.744 CA :: 56.280 CB :: 32.870 CG :: 32.345 CE :: 17.170 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 :: 8.309 HA :: 4.440 HB2 :: 1.977 HB3 :: 2.065 HG2 :: 2.581 HG3 :: 2.503 HE1 :: 2.044 HE2 :: 2.044 HE3 :: 2.044 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 :: 123.120 Ave N Shift Values>> N :: 120.1(3.88) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.448 CA :: 59.070 CB :: 64.090 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.173 HA :: 4.357 HB2 :: 3.813 HB3 :: 3.866 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.240 Ave N Shift Values>> N :: 116.3(3.95) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.24 C 0.03 L 0.01 C Shift Assignments>> C :: 177.874 CA :: 53.050 CB :: 19.570 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.201 HA :: 4.323 HB1 :: 1.373 HB2 :: 1.373 HB3 :: 1.373 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.800 Ave N Shift Values>> N :: 123.23(3.7) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.29 R 0.12 G 0.03 HN Overlap>> 1.E119 1.E119 C Shift Assignments>> C :: 177.635 CA :: 55.780 CB :: 42.610 CG :: 27.075 CD1 :: 23.739 CD2 :: 25.440 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 :: 8.091 HA :: 4.331 HB2 :: 1.584 HB3 :: 1.653 HG :: 1.630 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 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 :: 120.870 Ave N Shift Values>> N :: 121.98(4.07) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.239 CA :: 62.050 CB :: 70.066 CG2 :: 21.850 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 :: 7.827 HA :: 4.342 HB :: 4.235 HG21 :: 1.170 HG22 :: 1.170 HG23 :: 1.170 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.510 Ave N Shift Values>> N :: 115.7(5.05) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.2 K 0.15 C 0.1 F 0.09 Y 0.07 N 0.06 R 0.04 C Shift Assignments>> C :: 174.478 CA :: 54.750 CB :: 41.350 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 :: 8.181 HA :: 4.582 HB2 :: 2.594 HB3 :: 2.568 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 :: 123.580 Ave N Shift Values>> N :: 120.73(4.2) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.32 R 0.22 M 0.02 G 0.01 C Shift Assignments>> CA :: 55.910 CB :: 35.600 CG :: 24.823 CD :: 29.574 CE :: 42.280 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 :: 7.558 HA :: 4.634 HB2 :: 1.738 HB3 :: 1.608 HG2 :: 1.267 HG3 :: 1.241 HD2 :: 1.507 HE2 :: 2.821 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 :: 119.070 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 A 0.26 C 0.17 M 0.1 K 0.04 C Shift Assignments>> C :: 174.792 CA :: 51.225 CB :: 22.810 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.423 HA :: 4.574 HB1 :: 1.158 HB2 :: 1.158 HB3 :: 1.158 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.860 Ave N Shift Values>> N :: 123.23(3.7) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.48 A 0.01 G 0.01 C Shift Assignments>> C :: 174.568 CA :: 58.650 CB :: 41.840 CG1 :: 28.014 CG2 :: 17.433 CD1 :: 13.337 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 :: 8.848 HA :: 4.910 HB :: 1.505 HG12 :: 1.001 HG13 :: 1.249 HG21 :: 0.703 HG22 :: 0.703 HG23 :: 0.703 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 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 :: 119.000 Ave N Shift Values>> N :: 121.6(4.72) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 177.095 CA :: 63.070 CB :: 31.070 CG1 :: 23.414 CG2 :: 21.632 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.095 HA :: 4.116 HB :: 2.389 HG11 :: 0.859 HG12 :: 0.859 HG13 :: 0.859 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.850 Ave N Shift Values>> N :: 121.02(4.96) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.43 K 0.06 G 0.02 C Shift Assignments>> C :: 174.153 CA :: 55.630 CB :: 37.770 CG :: 25.957 CD :: 29.838 CE :: 42.354 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.249 HA :: 4.824 HB2 :: 1.680 HB3 :: 1.457 HG2 :: 1.198 HG3 :: 1.329 HD2 :: 1.500 HE2 :: 2.736 HE3 :: 2.825 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 130.360 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.32 K 0.24 M 0.01 C Shift Assignments>> C :: 176.200 CA :: 55.033 CB :: 35.668 CG :: 26.009 CD :: 30.147 CE :: 41.853 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 :: 8.695 HA :: 5.742 HB2 :: 1.865 HB3 :: 1.531 HG2 :: 0.920 HG3 :: 1.069 HD2 :: 1.406 HD3 :: 1.327 HE2 :: 1.876(S) HE3 :: 2.150(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.790 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E63 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 174.786 CA :: 54.890 CB :: 37.380(S) CG :: 39.458 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 :: 8.989 HA :: 4.910 HB2 :: 2.145 HB3 :: 1.607 HG2 :: 2.345 HG3 :: 2.147 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.440 Ave N Shift Values>> N :: 120.68(3.68) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.38 R 0.1 A 0.08 C Shift Assignments>> C :: 178.628 CA :: 55.570 CB :: 41.400 CG :: 27.496 CD1 :: 22.098 CD2 :: 25.700 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 :: 9.276 HA :: 3.954 HB2 :: 1.199 HB3 :: 1.675 HG :: 1.372 HD11 :: 0.031 HD12 :: 0.031 HD13 :: 0.031 HD21 :: 0.809 HD22 :: 0.809 HD23 :: 0.809 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 :: 124.120 Ave N Shift Values>> N :: 121.98(4.07) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.37 R 0.05 C Shift Assignments>> C :: 177.181 CA :: 58.470 CB :: 41.026 CG :: 27.157 CD1 :: 22.108 CD2 :: 25.528 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 :: 9.017 HA :: 3.583 HB2 :: 1.721 HB3 :: 1.194 HG :: 1.024 HD11 :: 0.229 HD12 :: 0.229 HD13 :: 0.229 HD21 :: 0.477 HD22 :: 0.477 HD23 :: 0.477 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.330 Ave N Shift Values>> N :: 121.98(4.07) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.S40 1.S40 C Shift Assignments>> C :: 178.619 CA :: 60.890 CB :: 38.700 CD1 :: 133.098 CE1 :: 118.441 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.408 HA :: 4.119 HB2 :: 2.973 HB3 :: 2.779 HD1 :: 7.059 HE1 :: 6.797 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 :: 115.880 Ave N Shift Values>> N :: 120.79(4.69) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 K 0.16 Y 0.15 L 0.15 C 0.13 D 0.12 R 0.03 I 0.02 N 0.02 HN Overlap>> 1.L120 1.L120 C Shift Assignments>> C :: 177.728 CA :: 56.900 CB :: 40.990 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 :: 6.736 HA :: 4.433 HB2 :: 2.675 HB3 :: 2.702 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 :: 119.010 Ave N Shift Values>> N :: 120.73(4.2) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.445 CA :: 65.810 CB :: 32.800 CG1 :: 23.011 CG2 :: 21.104 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 :: 7.827 HA :: 3.473 HB :: 1.462 HG11 :: 0.411 HG12 :: 0.411 HG13 :: 0.411 HG21 :: 0.419 HG22 :: 0.419 HG23 :: 0.419 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 :: 121.520 Ave N Shift Values>> N :: 121.02(4.96) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.34 C 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 178.501 CA :: 55.410 CB :: 18.750 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.789 HA :: 3.784 HB1 :: 1.134 HB2 :: 1.134 HB3 :: 1.134 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.410 Ave N Shift Values>> N :: 123.23(3.7) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 175.961 CA :: 47.100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.054 HA2 :: 3.850 HA3 :: 3.687 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.260 Ave N Shift Values>> N :: 109.91(4.29) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.420 CA :: 58.480 CB :: 63.840 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.978 HA :: 4.473 HB2 :: 3.961 HB3 :: 3.824 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 :: 123.330 Ave N Shift Values>> N :: 116.3(3.95) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.18 D 0.15 R 0.14 C 0.1 F 0.07 Y 0.05 N 0.02 C Shift Assignments>> C :: 175.516 CA :: 55.370 CB :: 42.210 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 :: 8.184 HA :: 4.686 HB2 :: 2.575 HB3 :: 2.674 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 :: 124.480 Ave N Shift Values>> N :: 120.73(4.2) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.24 M 0.02 G 0.01 C Shift Assignments>> C :: 174.810 CA :: 56.413 CB :: 33.370 CG :: 25.436 CD :: 29.271 CE :: 42.360 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 :: 8.613 HA :: 4.123 HB2 :: 1.700 HB3 :: 1.631 HG2 :: 1.368 HG3 :: 1.135 HD2 :: 1.391 HD3 :: 1.283 HE2 :: 2.564 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 :: 122.059 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 C 0.43 G 0.07 C Shift Assignments>> C :: 173.663 CA :: 55.290 CB :: 42.720 CD1 :: 133.339 CE1 :: 117.844 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 :: 7.595 HA :: 5.704 HB2 :: 2.608 HD1 :: 6.692 HE1 :: 6.588 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 :: 116.820 Ave N Shift Values>> N :: 120.79(4.69) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.34 Q 0.08 K 0.06 R 0.01 E 0.01 C Shift Assignments>> C :: 174.400 CA :: 53.900 CB :: 31.680 CG :: 32.035 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 :: 8.869 HA :: 4.636 HB2 :: 1.988 HB3 :: 2.047 HG2 :: 2.130 HE21 :: 6.818 HE22 :: 7.866 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 :: 115.850 NE2 :: 112.427 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 177.233 CA :: 63.440 CB :: 32.060 CG1 :: 21.944 CG2 :: 20.685 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.679 HA :: 4.595 HB :: 1.886 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.360 Ave N Shift Values>> N :: 121.02(4.96) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.2 C 0.14 Y 0.06 F 0.05 L 0.03 C Shift Assignments>> C :: 174.441 CA :: 52.530 CB :: 38.980 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 :: 8.806 HA :: 4.748 HB2 :: 3.250 HB3 :: 2.526 HD21 :: 6.654 HD22 :: 8.228 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 :: 127.050 ND2 :: 110.004 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.32 M 0.09 E 0.09 Y 0.05 K 0.03 F 0.02 D 0.01 Q 0.01 C Shift Assignments>> C :: 178.370 CA :: 52.860 CB :: 36.280 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 :: 8.766 HA :: 5.200 HB2 :: 2.962 HB3 :: 2.635 HD21 :: 7.115 HD22 :: 7.064 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 :: 125.510 ND2 :: 112.400 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.33 R 0.13 M 0.02 G 0.02 C Shift Assignments>> C :: 177.017 CA :: 60.550 CB :: 34.260 CG :: 24.288 CD :: 30.051 CE :: 42.328 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 :: 7.791 HA :: 3.748 HB2 :: 1.534 HB3 :: 1.407 HG2 :: 0.951 HG3 :: 0.684 HD2 :: 1.515 HE2 :: 2.839 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 :: 122.531 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.43 C 0.35 H 0.2 C Shift Assignments>> C :: 176.169 CA :: 55.500 CB :: 30.680 CD2 :: 125.659 CE1 :: 138.359 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.645 HA :: 5.099 HB2 :: 3.017 HB3 :: 2.351 HD2 :: 7.088 HE1 :: 7.697 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 :: 114.510 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.2 C 0.16 D 0.14 L 0.1 K 0.06 N 0.04 I 0.04 C Shift Assignments>> C :: 176.025 CA :: 56.690 CB :: 40.120 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 :: 7.747 HA :: 5.050 HB2 :: 2.884 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 :: 122.312 Ave N Shift Values>> N :: 120.73(4.2) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 C 0.16 N 0.15 Y 0.15 F 0.15 L 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 176.448 CA :: 55.230 CB :: 39.620 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 :: 8.410 HA :: 4.342 HB2 :: 2.651 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 :: 116.930 Ave N Shift Values>> N :: 120.73(4.2) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.39 R 0.04 M 0.03 C Shift Assignments>> C :: 175.322 CA :: 56.920 CB :: 34.560 CG :: 23.222 CD :: 28.823 CE :: 41.289 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 :: 7.559 HA :: 4.204 HB2 :: 1.090 HG2 :: 0.843 HG3 :: 0.737 HD2 :: 1.288 HE2 :: 2.699 HE3 :: 2.748 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 :: 120.570 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 174.648 CA :: 54.470 CB :: 41.250 CD1 :: 133.078 CE1 :: 117.457 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 :: 7.961 HA :: 4.909 HB2 :: 2.986 HB3 :: 2.097 HD1 :: 6.486 HE1 :: 6.351 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 :: 120.440 Ave N Shift Values>> N :: 120.79(4.69) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.469 CA :: 56.430 CB :: 63.820 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.434 HA :: 4.966 HB2 :: 3.791 HB3 :: 3.912 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 :: 116.320 Ave N Shift Values>> N :: 116.3(3.95) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> CA :: 63.050 CB :: 32.140 CG :: 28.662 CD :: 50.400 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 :: 4.464 HB2 :: 1.968 HB3 :: 1.894 HG2 :: 2.093 HD2 :: 3.384 HD3 :: 3.864 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.34 R 0.08 A 0.04 C Shift Assignments>> CA :: 54.120 CB :: 41.089 CG :: 27.992 CD1 :: 23.313 CD2 :: 25.772 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 :: 8.505 HA :: 4.353 HB2 :: 1.195 HB3 :: 1.490 HG :: 1.502 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.655 HD22 :: 0.655 HD23 :: 0.655 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 :: 124.710 Ave N Shift Values>> N :: 121.98(4.07) 1.P88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.5 I 0.38 C 0.05 W 0.01 R 0.01 C Shift Assignments>> C :: 176.162 CA :: 63.553 CB :: 26.904 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 3.886 HB2 :: 2.918 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) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.057 CA :: 61.611 CB :: 62.130 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.663 HA :: 4.055 HB2 :: 3.836 HB3 :: 3.880 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.490 Ave N Shift Values>> N :: 116.3(3.95) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.22 M 0.01 G 0.01 C Shift Assignments>> C :: 178.877 CA :: 58.330 CB :: 32.680 CG :: 25.505 CD :: 29.053 CE :: 42.282 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 :: 7.154 HA :: 4.202 HB2 :: 1.921 HG2 :: 1.450 HG3 :: 1.509 HD2 :: 1.680 HE2 :: 2.942 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 :: 122.660 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 C 0.03 C Shift Assignments>> C :: 177.621 CA :: 66.500 CB :: 38.890 CG1 :: 27.226 CG2 :: 17.879 CD1 :: 15.040 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 :: 7.719 HA :: 3.415 HB :: 1.818 HG12 :: 1.573 HG13 :: 1.319 HG21 :: 0.679 HG22 :: 0.679 HG23 :: 0.679 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 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 :: 121.350 Ave N Shift Values>> N :: 121.6(4.72) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> CA :: 65.080 CB :: 37.630 CG1 :: 28.773 CG2 :: 18.800 CD1 :: 13.098 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 :: 8.033 HA :: 3.514 HB :: 1.879 HG12 :: 1.390 HG13 :: 1.509 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 HD11 :: 0.787 HD12 :: 0.787 HD13 :: 0.787 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.840 Ave N Shift Values>> N :: 121.6(4.72) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.22 Q 0.22 E 0.11 R 0.05 I 0.04 M 0.02 P 0.01 C Shift Assignments>> C :: 178.785 CA :: 59.530 CB :: 28.820 CG :: 33.851 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 :: 7.556 HA :: 3.978 HB2 :: 2.172 HB3 :: 2.058 HG2 :: 2.468 HG3 :: 2.276 HE21 :: 7.569 HE22 :: 6.737 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 :: 118.820 NE2 :: 112.264 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.13 K 0.05 C Shift Assignments>> C :: 178.025 CA :: 58.810 CB :: 30.050 CG :: 27.873 CD :: 43.779 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.664 HA :: 3.996 HB2 :: 1.794 HB3 :: 1.876 HG2 :: 1.592 HG3 :: 1.684 HD2 :: 3.014 HD3 :: 3.302 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.170 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.27 I 0.05 C 0.04 V 0.01 HN Overlap>> 1.E103 1.E103 C Shift Assignments>> C :: 178.882 CA :: 55.880 CB :: 18.620 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.237 HA :: 3.818 HB1 :: 1.281 HB2 :: 1.281 HB3 :: 1.281 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.520 Ave N Shift Values>> N :: 123.23(3.7) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.3 E 0.29 K 0.03 M 0.01 C Shift Assignments>> C :: 180.577 CA :: 59.680 CB :: 29.370 CG :: 37.041 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 :: 8.267 HA :: 3.913 HB2 :: 1.970 HB3 :: 1.991 HG2 :: 2.360 HG3 :: 2.117 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 :: 113.500 Ave N Shift Values>> N :: 120.68(3.68) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.18 K 0.04 M 0.04 Q 0.01 C Shift Assignments>> C :: 178.049 CA :: 58.860 CB :: 30.100 CG :: 36.862 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 :: 7.828 HA :: 4.058 HB2 :: 2.221 HB3 :: 2.058 HG2 :: 2.428 HG3 :: 2.358 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 :: 119.430 Ave N Shift Values>> N :: 120.68(3.68) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 C 0.31 L 0.14 R 0.13 A 0.05 C Shift Assignments>> C :: 176.824 CA :: 55.610 CB :: 44.600 CG :: 27.074 CD1 :: 22.317 CD2 :: 27.329 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 :: 7.280 HA :: 4.210 HB2 :: 1.984 HB3 :: 1.616 HG :: 1.859 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 HD21 :: 0.920 HD22 :: 0.920 HD23 :: 0.920 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 :: 117.910 Ave N Shift Values>> N :: 121.98(4.07) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 177.782 CA :: 66.560 CB :: 31.767 CG1 :: 25.331 CG2 :: 22.443 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 :: 7.063 HA :: 3.170 HB :: 2.067 HG11 :: 1.137 HG12 :: 1.137 HG13 :: 1.137 HG21 :: 0.969 HG22 :: 0.969 HG23 :: 0.969 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 :: 119.440 Ave N Shift Values>> N :: 121.02(4.96) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 C Shift Assignments>> C :: 174.619 CA :: 45.068 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.067 HA2 :: 3.603 HA3 :: 4.442 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.030 Ave N Shift Values>> N :: 109.91(4.29) 1.Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.23 K 0.2 E 0.2 M 0.06 R 0.02 I 0.01 HN Overlap>> 1.E103 1.E103 C Shift Assignments>> C :: 175.041 CA :: 56.290 CB :: 29.350 CG :: 34.651 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 :: 8.393 HA :: 4.306 HB2 :: 2.143 HG2 :: 2.322 HG3 :: 2.370 HE21 :: 7.463 HE22 :: 6.907 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.530 NE2 :: 114.060 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.32 M 0.18 I 0.01 K 0.01 HN Overlap>> 1.Q102 1.Q102 1.A96 1.A96 C Shift Assignments>> C :: 177.304 CA :: 55.260 CB :: 31.660 CG :: 37.033 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 :: 8.310 HA :: 5.001 HB2 :: 1.863 HG2 :: 2.283 HG3 :: 2.052 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 :: 120.460 Ave N Shift Values>> N :: 120.68(3.68) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.48 C Shift Assignments>> C :: 176.073 CA :: 60.010 CB :: 34.390 CG1 :: 21.624 CG2 :: 20.383 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.442 HA :: 4.454 HB :: 1.685 HG11 :: 0.651 HG12 :: 0.651 HG13 :: 0.651 HG21 :: 0.454 HG22 :: 0.454 HG23 :: 0.454 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 :: 118.470 Ave N Shift Values>> N :: 121.02(4.96) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.32 A 0.03 R 0.01 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 174.685 CA :: 54.550 CB :: 40.469 CG :: 27.111 CD1 :: 25.409 CD2 :: 23.278 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 :: 8.398 HA :: 4.438 HB2 :: 1.544 HG :: 1.563 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 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 :: 124.360 Ave N Shift Values>> N :: 121.98(4.07) 1.Y106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 174.159 CA :: 55.780 CB :: 40.190 CD1 :: 133.318 CE1 :: 118.180 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 :: 7.002 HA :: 4.589 HB2 :: 2.981 HB3 :: 2.722 HD1 :: 6.843 HE1 :: 6.701 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 :: 118.110 Ave N Shift Values>> N :: 120.79(4.69) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.35 R 0.25 M 0.01 G 0.01 C Shift Assignments>> C :: 177.342 CA :: 56.144 CB :: 34.220 CG :: 25.358 CD :: 29.383 CE :: 42.383 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 :: 8.003 HA :: 4.213 HB2 :: 1.677 HG2 :: 1.391 HG3 :: 1.471 HD2 :: 1.615 HE2 :: 2.939 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 :: 118.000 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.37 R 0.05 A 0.02 C Shift Assignments>> C :: 175.350 CA :: 56.160 CB :: 40.825 CG :: 27.682 CD1 :: 25.582 CD2 :: 22.873 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 :: 8.609 HA :: 4.210 HB2 :: 1.709 HB3 :: 1.332 HG :: 1.458 HD11 :: 0.727 HD12 :: 0.727 HD13 :: 0.727 HD21 :: 1.160 HD22 :: 1.160 HD23 :: 1.160 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 :: 125.010 Ave N Shift Values>> N :: 121.98(4.07) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 T 0.37 C Shift Assignments>> CA :: 59.170 CB :: 73.100 CG2 :: 22.461 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 :: 7.617 HA :: 4.620 HB :: 4.643 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 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 :: 117.600 Ave N Shift Values>> N :: 115.7(5.05) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 177.223 CA :: 63.190 CB :: 63.500 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.750 HB2 :: 4.136 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.32 E 0.25 K 0.02 C Shift Assignments>> C :: 179.208 CA :: 60.300 CB :: 29.310 CG :: 37.048 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 :: 8.965 HA :: 4.092 HB2 :: 1.997 HB3 :: 1.861 HG2 :: 2.276 HG3 :: 2.307 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 :: 119.910 Ave N Shift Values>> N :: 120.68(3.68) 1.N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.18 N 0.15 E 0.13 F 0.11 D 0.05 M 0.03 I 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 178.569 CA :: 55.630 CB :: 37.650 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 :: 8.048 HA :: 4.530 HB2 :: 3.056 HB3 :: 2.617 HD21 :: 8.579 HD22 :: 7.034 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 :: 120.140 ND2 :: 113.075 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 I 0.4 C 0.04 V 0.01 C Shift Assignments>> CA :: 64.830 CB :: 27.320 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.778 HA :: 4.322 HB2 :: 3.672 HB3 :: 3.363 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 :: 121.070 Ave N Shift Values>> N :: 119.95(4.79) 1.E114 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.31 E 0.27 K 0.13 Q 0.11 I 0.11 M 0.03 C Shift Assignments>> C :: 178.065 CA :: 59.610 CB :: 29.540 CG :: 35.192 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 :: 8.101 HA :: 3.174 HB2 :: 1.689 HB3 :: 1.359 HG2 :: 0.528(A) HG3 :: 1.448(S) 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 :: 122.000 Ave N Shift Values>> N :: 120.68(3.68) 1.H115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.34 H 0.13 C Shift Assignments>> C :: 177.187 CA :: 60.340 CB :: 30.226 CD2 :: 114.400 CE1 :: 137.520 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 :: 8.239 HA :: 4.184 HB2 :: 3.212 HD2 :: 6.978 HE1 :: 7.998 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.750 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.36 C 0.18 C Shift Assignments>> C :: 177.340 CA :: 61.780 CB :: 40.020 CD1 :: 132.222 CE1 :: 130.693 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 :: 8.134 HA :: 4.252 HB2 :: 3.496 HB3 :: 3.127 HD1 :: 7.270 HE1 :: 7.006 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 :: 118.770 Ave N Shift Values>> N :: 120.69(4.18) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.986 CA :: 65.080 CB :: 30.820 CG1 :: 21.042 CG2 :: 22.754 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 :: 7.409 HA :: 3.794 HB :: 2.313 HG11 :: 1.264 HG12 :: 1.264 HG13 :: 1.264 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 109.400 Ave N Shift Values>> N :: 121.02(4.96) 1.N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.22 C 0.21 D 0.07 I 0.07 N 0.04 L 0.04 E 0.04 C Shift Assignments>> CA :: 57.050 CB :: 38.960 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 :: 8.246 HA :: 4.440 HB2 :: 2.949 HB3 :: 2.742 HD21 :: 6.899 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 :: 123.283 ND2 :: 108.629 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.33 E 0.24 K 0.02 HN Overlap>> 1.L54 1.L54 C Shift Assignments>> C :: 180.273 CA :: 60.070 CB :: 29.160 CG :: 37.304 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 :: 8.084 HA :: 3.657 HB2 :: 1.993 HB3 :: 1.843 HG2 :: 1.869 HG3 :: 2.036 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 :: 120.870 Ave N Shift Values>> N :: 120.68(3.68) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.36 R 0.18 G 0.03 HN Overlap>> 1.D67 1.D67 C Shift Assignments>> C :: 176.704 CA :: 57.760 CB :: 42.580 CG :: 26.672 CD1 :: 23.060 CD2 :: 26.811 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 :: 6.837 HA :: 3.863 HB2 :: 1.750 HB3 :: 0.944 HG :: 1.254 HD11 :: 0.492 HD12 :: 0.492 HD13 :: 0.492 HD21 :: 0.330 HD22 :: 0.330 HD23 :: 0.330 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 :: 119.050 Ave N Shift Values>> N :: 121.98(4.07) 1.R121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 R 0.27 G 0.26 K 0.03 C Shift Assignments>> C :: 175.307 CA :: 59.028 CB :: 31.030 CG :: 29.053 CD :: 44.360 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.549 HA :: 3.871 HB2 :: 1.003 HB3 :: 1.464 HG2 :: 0.016(S) HD2 :: 2.662 HD3 :: 3.140 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 :: 115.790 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 177.450 CA :: 57.980 CB :: 40.370 CD1 :: 133.284 CE1 :: 118.159 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.225 HA :: 4.675 HB2 :: 2.909 HB3 :: 2.675 HD1 :: 6.841 HE1 :: 6.699 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 :: 111.200 Ave N Shift Values>> N :: 120.79(4.69) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 172.785 CA :: 45.822 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.703 HA2 :: 3.807 HA3 :: 4.072 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.180 Ave N Shift Values>> N :: 109.91(4.29) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 173.708 CA :: 61.320 CB :: 33.900 CG1 :: 20.837 CG2 :: 19.937 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 :: 7.127 HA :: 4.037 HB :: 1.720 HG11 :: 0.582 HG12 :: 0.582 HG13 :: 0.582 HG21 :: 0.503 HG22 :: 0.503 HG23 :: 0.503 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.200 Ave N Shift Values>> N :: 121.02(4.96) 1.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.31 L 0.09 C 0.06 V 0.01 C Shift Assignments>> C :: 182.629 CA :: 53.920 CB :: 20.660 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.819 HA :: 4.025 HB1 :: 1.115 HB2 :: 1.115 HB3 :: 1.115 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.579 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 114 #Clerical: 0 #Suspicious: 5 #Anomalous: 5 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 121 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 124 #Suspicious: 1 C Shift Results: #Consistent: 515 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 2 H Shift Results: #Consistent: 784 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 3 N Shift Results: #Consistent: 116 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P8 HB2 = 0.578(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.6042e-04 1.L13 HD11 = 2.211(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4478e-08 1.L13 HD12 = 2.211(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4478e-08 1.L13 HD13 = 2.211(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4478e-08 1.E15 HB3 = 0.507(S), Expected = 2.04, Std = 0.2300, ChiSquare = 2.6427e-11 1.E15 HG2 = 0.908(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.4523e-11 1.E15 HG3 = 0.605(A), Expected = 2.31, Std = 0.2100, ChiSquare = 4.6986e-16 1.R22 HD3 = 4.564(A), Expected = 3.13, Std = 0.2200, ChiSquare = 7.1165e-11 1.H23 CE1 = 141.744(A), Expected = 136.05, Std = 3.5800, ChiSquare = 1.1172e-01 1.W24 CE3 = 115.826(A), Expected = 120.38, Std = 1.5000, ChiSquare = 2.3974e-03 1.W24 SRO Rule Break>> HE3 > HA : 1 1.L36 HD11 = -0.183(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.1614e-04 1.L36 HD12 = -0.183(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.1614e-04 1.L36 HD13 = -0.183(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.1614e-04 1.K62 HE2 = 1.876(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.3642e-07 1.K62 HE3 = 2.150(S), Expected = 2.93, Std = 0.2000, ChiSquare = 9.6193e-05 1.E63 Typing: Mistyped 1.E63 CB = 37.380(S), Expected = 30.07, Std = 1.8400, ChiSquare = 7.1025e-05 1.E114 HG2 = 0.528(A), Expected = 2.31, Std = 0.2100, ChiSquare = 2.1440e-17 1.E114 HG3 = 1.448(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.0473e-05 1.R121 HG2 = 0.016(S), Expected = 1.58, Std = 0.2700, ChiSquare = 6.9308e-09