Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.35 L 0.3 G 0.14 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 169.442 CA :: 43.694 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.826 HA3 :: 3.725 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.41 R 0.04 C Shift Assignments>> C :: 174.381 CA :: 55.649 CB :: 34.080 CG :: 24.015 CD :: 29.213 CE :: 41.900 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.242 HA :: 4.379 HB2 :: 1.501 HB3 :: 1.458 HG2 :: 0.770 HG3 :: 0.770 HD2 :: 1.356 HD3 :: 1.356 HE2 :: 2.540 HE3 :: 2.370 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.297 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.203 CA :: 60.455 CB :: 70.058 CG2 :: 21.301 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.257 HA :: 5.166 HB :: 3.909 HG21 :: 1.114 HG22 :: 1.114 HG23 :: 1.114 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.551 Ave N Shift Values>> N :: 115.42(4.75) 1.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.2 G 0.06 C Shift Assignments>> C :: 178.266 CA :: 58.138 CB :: 42.909 CD1 :: 131.350 CD2 :: 131.350 CE1 :: 129.492 CE2 :: 129.492 CZ :: 129.486 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.375 HA :: 4.820 HB2 :: 3.580 HB3 :: 2.557 HD1 :: 7.165 HD2 :: 7.165 HE1 :: 7.324 HE2 :: 7.324 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.011 Ave N Shift Values>> N :: 120.45(4.18) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 175.521 CA :: 60.922 CB :: 70.555 CG2 :: 22.105 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.590 HA :: 4.409 HB :: 4.697 HG21 :: 1.386 HG22 :: 1.386 HG23 :: 1.386 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.355 Ave N Shift Values>> N :: 115.42(4.75) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 R 0.19 G 0.16 K 0.04 C Shift Assignments>> C :: 178.152 CA :: 62.258 CB :: 29.749 CG :: 26.109 CD :: 43.308 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.281 HA :: 3.670 HB2 :: 2.033 HB3 :: 1.813 HG2 :: 1.411 HG3 :: 1.411 HD2 :: 3.177 HD3 :: 2.958 HE :: 9.426 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.508 NE :: 84.672 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 C 0.17 K 0.15 Q 0.13 H 0.09 R 0.09 W 0.05 E 0.02 C Shift Assignments>> C :: 178.151 CA :: 53.896 CB :: 32.815 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.152 HA :: 4.620 HB2 :: 2.743 HB3 :: 2.691 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 112.892 Ave N Shift Values>> N :: 120.17(4.64) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 177.069 CA :: 47.124 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.652 HA2 :: 4.302 HA3 :: 3.790 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.710 Ave N Shift Values>> N :: 109.67(3.87) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.25 R 0.11 K 0.01 C Shift Assignments>> C :: 177.409 CA :: 57.697 CB :: 41.415 CG :: 26.716 CD1 :: 23.669 CD2 :: 27.670 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.492 HA :: 3.391 HB2 :: 2.366 HB3 :: 1.197 HG :: 1.214 HD11 :: 0.341 HD12 :: 0.341 HD13 :: 0.341 HD21 :: 0.787 HD22 :: 0.787 HD23 :: 0.787 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.516 Ave N Shift Values>> N :: 121.86(3.9) 1.V10 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 :: 177.593 CA :: 66.908 CB :: 31.584 CG1 :: 24.975 CG2 :: 20.950 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.852 HA :: 3.406 HB :: 2.172 HG11 :: 1.032 HG12 :: 1.032 HG13 :: 1.032 HG21 :: 0.870 HG22 :: 0.870 HG23 :: 0.870 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.345 Ave N Shift Values>> N :: 121.14(4.54) 1.H11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 C 0.33 H 0.31 C Shift Assignments>> C :: 177.302 CA :: 58.059 CB :: 28.201 CD2 :: 118.863 CE1 :: 136.257 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.316 HA :: 4.354 HB2 :: 3.383 HB3 :: 3.383 HD2 :: 7.052 HE1 :: 8.647 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.678 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.29 K 0.13 Q 0.11 I 0.08 M 0.02 C Shift Assignments>> C :: 179.891 CA :: 59.041 CB :: 29.355 CG :: 35.460 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.894 HA :: 4.108 HB2 :: 1.919 HB3 :: 1.649 HG2 :: 2.329 HG3 :: 2.004 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.971 Ave N Shift Values>> N :: 120.67(3.48) 1.L13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.86 L 0.08 A 0.05 C Shift Assignments>> C :: 180.519 CA :: 58.108 CB :: 39.078 CG :: 25.828 CD1 :: 25.571 CD2 :: 20.010 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.924 HA :: 3.762 HB2 :: 1.882 HB3 :: 0.664 HG :: 1.450 HD11 :: 0.340 HD12 :: 0.340 HD13 :: 0.340 HD21 :: -0.377(S) HD22 :: -0.377(S) HD23 :: -0.377(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.681 Ave N Shift Values>> N :: 121.86(3.9) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.27 R 0.17 K 0.01 C Shift Assignments>> C :: 180.304 CA :: 60.473 CB :: 30.344 CG :: 28.695 CD :: 44.171 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.734 HA :: 4.079 HB2 :: 1.926 HB3 :: 1.926 HG2 :: 1.940 HG3 :: 1.819 HD2 :: 3.094 HD3 :: 3.010 HE :: 8.549 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.298 NE :: 86.910 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.46 R 0.06 C Shift Assignments>> C :: 177.161 CA :: 58.422 CB :: 32.394 CG :: 24.931 CD :: 29.355 CE :: 41.818 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.766 HA :: 4.098 HB2 :: 1.813 HB3 :: 1.751 HG2 :: 1.437 HG3 :: 1.256 HD2 :: 1.311 HE2 :: 2.888 HE3 :: 2.888 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.652 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.36 C 0.25 C Shift Assignments>> C :: 174.108 CA :: 55.893 CB :: 27.977 CD2 :: 120.800 CE1 :: 137.810 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.461 HA :: 4.743 HB2 :: 3.778 HB3 :: 2.764 HD2 :: 7.706 HE1 :: 9.000 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.109 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 175.147 CA :: 47.178 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.758 HA2 :: 3.838 HA3 :: 3.838 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.249 Ave N Shift Values>> N :: 109.67(3.87) 1.F18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 175.269 CA :: 58.793 CB :: 38.172 CD1 :: 131.508 CD2 :: 131.508 CE1 :: 129.955 CE2 :: 129.955 CZ :: 128.543 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.696 HA :: 4.127 HB2 :: 2.427 HB3 :: 2.251 HD1 :: 6.334 HD2 :: 6.334 HE1 :: 5.782(S) HE2 :: 5.782(S) HZ :: 6.330 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.970 Ave N Shift Values>> N :: 120.45(4.18) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.25 Q 0.21 K 0.19 M 0.03 I 0.02 C Shift Assignments>> C :: 178.435 CA :: 56.894 CB :: 29.313 CG :: 35.094 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.097 HA :: 4.102 HB2 :: 2.221 HB3 :: 2.015 HG2 :: 2.554 HG3 :: 2.554 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.144 Ave N Shift Values>> N :: 120.67(3.48) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.21 Q 0.21 E 0.12 I 0.05 R 0.02 C Shift Assignments>> C :: 179.367 CA :: 59.288 CB :: 28.690 CG :: 34.468 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.992 HA :: 3.984 HB2 :: 2.246 HB3 :: 1.992 HG2 :: 2.493 HG3 :: 2.376 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.139 Ave N Shift Values>> N :: 120.67(3.48) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.2 Y 0.15 N 0.14 F 0.1 M 0.07 I 0.02 D 0.02 K 0.01 C Shift Assignments>> C :: 176.408 CA :: 55.680 CB :: 37.173 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.048 HA :: 4.579 HB2 :: 2.989 HB3 :: 2.861 HD21 :: 7.700 HD22 :: 6.890 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.943 ND2 :: 112.590 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.19 G 0.18 A 0.08 R 0.04 C Shift Assignments>> C :: 177.737 CA :: 54.408 CB :: 43.950 CG :: 26.492 CD1 :: 25.862 CD2 :: 22.517 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.386 HA :: 4.835 HB2 :: 1.975 HB3 :: 1.975 HG :: 1.681 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 HD21 :: 0.971 HD22 :: 0.971 HD23 :: 0.971 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.394 Ave N Shift Values>> N :: 121.86(3.9) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.46 A 0.01 C Shift Assignments>> C :: 177.653 CA :: 57.485 CB :: 31.315 CG :: 32.491 CE :: 16.350 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.885 HA :: 4.618 HB2 :: 2.368 HB3 :: 2.207 HG2 :: 2.707 HG3 :: 2.707 HE1 :: 1.761 HE2 :: 1.761 HE3 :: 1.761 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.090 Ave N Shift Values>> N :: 120.09(3.57) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.34 R 0.12 C Shift Assignments>> C :: 178.708 CA :: 61.401 CB :: 31.497 CG :: 28.296 CD :: 44.291 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.739 HA :: 3.722 HB2 :: 2.013 HB3 :: 1.819 HG2 :: 1.697 HG3 :: 1.697 HD2 :: 3.496 HD3 :: 3.167 HE :: 6.952 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.925 NE :: 84.136 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.23 F 0.21 Y 0.16 L 0.14 C 0.08 D 0.07 R 0.04 I 0.03 HN Overlap>> 1.C28 1.C28 C Shift Assignments>> C :: 177.128 CA :: 57.942 CB :: 41.550 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.761 HA :: 4.224 HB2 :: 2.729 HB3 :: 1.473(S) HD21 :: 7.518 HD22 :: 7.468 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.356 ND2 :: 115.849 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 HN Overlap>> 1.T41 1.T41 C Shift Assignments>> C :: 178.778 CA :: 61.233 CB :: 30.106 CD1 :: 126.632 CE3 :: 119.694 CZ2 :: 115.563 CZ3 :: 122.266 CH2 :: 124.310 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.495 HA :: 4.263 HB2 :: 3.293 HB3 :: 2.947 HD1 :: 6.939 HE1 :: 9.794 HE3 :: 7.335 HZ2 :: 6.715 HZ3 :: 6.316 HH2 :: 6.937 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.467 NE1 :: 128.095 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.497 CA :: 67.103 CB :: 31.448 CG1 :: 24.639 CG2 :: 21.712 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.724 HA :: 3.342 HB :: 1.921 HG11 :: 0.888 HG12 :: 0.888 HG13 :: 0.888 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.211 Ave N Shift Values>> N :: 121.14(4.54) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 R 0.17 C 0.15 F 0.11 Y 0.06 L 0.04 I 0.03 K 0.01 HN Overlap>> 1.N25 1.N25 C Shift Assignments>> C :: 177.499 CA :: 60.808 CB :: 43.980 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.830 HA :: 4.430 HB2 :: 3.219 HB3 :: 3.173 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.370 Ave N Shift Values>> N :: 120.17(4.64) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.26 G 0.1 L 0.02 K 0.02 C Shift Assignments>> C :: 177.665 CA :: 60.420 CB :: 43.222 CG :: 28.246 CD1 :: 28.366 CD2 :: 23.827 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.741 HA :: 3.782 HB2 :: 2.028 HB3 :: 1.674 HG :: 1.322 HD11 :: 0.156 HD12 :: 0.156 HD13 :: 0.156 HD21 :: 0.262 HD22 :: 0.262 HD23 :: 0.262 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.146 Ave N Shift Values>> N :: 121.86(3.9) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 HN Overlap>> 1.T43 1.T43 C Shift Assignments>> C :: 179.557 CA :: 67.185 CB :: 31.507 CG1 :: 23.422 CG2 :: 23.458 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.699 HA :: 3.339 HB :: 1.911 HG11 :: 0.625 HG12 :: 0.625 HG13 :: 0.625 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.526 Ave N Shift Values>> N :: 121.14(4.54) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.35 E 0.01 C Shift Assignments>> C :: 178.669 CA :: 61.207 CB :: 28.531 CG :: 38.996 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.876 HA :: 3.530 HB2 :: 1.941 HB3 :: 1.628 HG2 :: 2.540 HG3 :: 1.997 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.341 Ave N Shift Values>> N :: 120.67(3.48) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.34 H 0.28 C Shift Assignments>> C :: 174.374 CA :: 58.882 CB :: 27.441 CD2 :: 121.042 CE1 :: 137.828 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.746 HA :: 4.400 HB2 :: 3.298 HB3 :: 2.800 HD2 :: 7.466 HE1 :: 8.713 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 112.550 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.24 K 0.19 Q 0.19 I 0.04 R 0.01 M 0.01 C Shift Assignments>> C :: 176.033 CA :: 57.839 CB :: 28.778 CG :: 35.123 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.226 HA :: 4.681 HB2 :: 2.056 HB3 :: 2.056 HG2 :: 2.848 HG3 :: 2.398 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.786 Ave N Shift Values>> N :: 120.67(3.48) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 S 0.49 C Shift Assignments>> C :: 176.121 CA :: 57.697 CB :: 67.198 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.724 HA :: 4.626 HB2 :: 4.561 HB3 :: 3.739 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.340 Ave N Shift Values>> N :: 116.28(3.52) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.774 CA :: 59.439 CB :: 61.625 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.761 HA :: 4.307 HB2 :: 4.086 HB3 :: 4.086 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.174 Ave N Shift Values>> N :: 116.28(3.52) 1.R36 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.53 K 0.36 R 0.08 G 0.01 C Shift Assignments>> C :: 172.328 CA :: 57.140 CB :: 29.355 CG :: 30.075 CD :: 42.396 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.123 HA :: 3.255 HB2 :: 2.862(S) HB3 :: 1.758 HG2 :: 1.383 HG3 :: 1.126 HD2 :: 3.521 HD3 :: 2.751 HE :: 8.076 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 104.400(S) NE :: 83.291 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) (HD3 > HB2 : 0.9950) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.24 N 0.12 K 0.08 C 0.05 F 0.04 R 0.04 Y 0.02 C Shift Assignments>> C :: 176.703 CA :: 52.123 CB :: 41.839 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.032 HA :: 5.273 HB2 :: 3.217 HB3 :: 2.513 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.630 Ave N Shift Values>> N :: 120.65(3.86) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 175.179 CA :: 64.522 CB :: 69.647 CG2 :: 23.360 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.705 HA :: 3.863 HB :: 4.324 HG21 :: 1.386 HG22 :: 1.386 HG23 :: 1.386 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.103 Ave N Shift Values>> N :: 115.42(4.75) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.612 CA :: 58.068 CB :: 64.947 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.278 HA :: 4.650 HB2 :: 4.128 HB3 :: 3.770 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.825 Ave N Shift Values>> N :: 116.28(3.52) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.41 R 0.12 C Shift Assignments>> C :: 176.376 CA :: 56.813 CB :: 32.939 CG :: 24.987 CD :: 29.025 CE :: 42.127 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.718 HA :: 4.119 HB2 :: 1.740 HB3 :: 1.600 HG2 :: 1.348 HG3 :: 1.221 HE2 :: 2.880 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.371 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 HN Overlap>> 1.D82 1.T43 1.D82 1.T43 1.W26 1.W26 C Shift Assignments>> C :: 173.312 CA :: 60.263 CB :: 71.876 CG2 :: 22.095 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.587 HA :: 5.267 HB :: 3.819 HG21 :: 0.989 HG22 :: 0.989 HG23 :: 0.989 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.491 Ave N Shift Values>> N :: 115.42(4.75) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 G 0.21 R 0.18 D 0.15 C 0.04 F 0.02 K 0.01 N 0.01 Y 0.01 C Shift Assignments>> C :: 173.821 CA :: 52.577 CB :: 43.610 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.326 HA :: 5.056 HB2 :: 2.787 HB3 :: 2.715 HD21 :: 7.665 HD22 :: 6.817 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.754 ND2 :: 114.687 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.T41 1.V30 1.T41 1.V30 C Shift Assignments>> C :: 173.708 CA :: 62.372 CB :: 69.632 CG2 :: 21.531 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.645 HA :: 4.583 HB :: 3.995 HG21 :: 1.217 HG22 :: 1.217 HG23 :: 1.217 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.445 Ave N Shift Values>> N :: 115.42(4.75) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.28 L 0.15 F 0.06 C 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 176.950 CA :: 52.746 CB :: 40.602 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.895 HA :: 4.896 HB2 :: 2.870 HB3 :: 2.699 HD21 :: 7.236 HD22 :: 7.152 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.634 ND2 :: 115.414 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.44 G 0.06 K 0.04 C Shift Assignments>> C :: 177.027 CA :: 58.910 CB :: 29.684 CG :: 27.212 CD :: 43.280 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.996 HA :: 4.078 HB2 :: 1.883 HB3 :: 1.883 HG2 :: 1.741 HG3 :: 1.741 HD2 :: 3.221 HD3 :: 3.221 HE :: 7.199 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.231 NE :: 84.528 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.15 Y 0.05 D 0.05 F 0.04 E 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 176.295 CA :: 52.534 CB :: 37.348 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.132 HA :: 4.615 HB2 :: 3.351 HB3 :: 2.883 HD21 :: 7.879 HD22 :: 7.154 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.098 ND2 :: 112.222 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.890 CA :: 45.250 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.121 HA2 :: 4.388 HA3 :: 3.641 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.376 Ave N Shift Values>> N :: 109.67(3.87) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.795 CA :: 58.492 CB :: 65.096 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.984 HA :: 4.650 HB2 :: 4.404 HB3 :: 3.906 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.863 Ave N Shift Values>> N :: 116.28(3.52) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.36 K 0.2 G 0.01 C Shift Assignments>> C :: 173.478 CA :: 55.116 CB :: 36.318 CG :: 25.658 CD :: 29.931 CE :: 42.292 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.046 HA :: 5.158 HB2 :: 1.676 HB3 :: 1.295 HG2 :: 1.299 HG3 :: 1.136 HD2 :: 1.583 HD3 :: 1.454 HE2 :: 2.864 HE3 :: 2.799 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.692 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.2 G 0.2 R 0.15 C 0.05 N 0.02 K 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.489 CA :: 51.721 CB :: 43.239 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.519 HA :: 5.217 HB2 :: 2.549 HB3 :: 2.080 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.303 Ave N Shift Values>> N :: 120.65(3.86) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.25 C Shift Assignments>> C :: 178.552 CA :: 59.217 CB :: 41.794 CD1 :: 133.406 CD2 :: 133.406 CE1 :: 118.364 CE2 :: 118.364 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.130 HA :: 4.774 HB2 :: 3.034 HB3 :: 2.696 HD1 :: 7.364 HD2 :: 7.364 HE1 :: 6.793 HE2 :: 6.793 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.625 Ave N Shift Values>> N :: 120.52(4.2) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 176.679 CA :: 46.700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.024 HA2 :: 4.712 HA3 :: 4.324 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.392 Ave N Shift Values>> N :: 109.67(3.87) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 G 0.28 C 0.24 C Shift Assignments>> C :: 178.116 CA :: 56.123 CB :: 44.393 CG :: 25.591 CD1 :: 24.647 CD2 :: 24.476 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.516 HA :: 3.953 HB2 :: 1.247 HB3 :: 1.009 HG :: 1.034 HD11 :: 0.551 HD12 :: 0.551 HD13 :: 0.551 HD21 :: 0.286 HD22 :: 0.286 HD23 :: 0.286 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.415 Ave N Shift Values>> N :: 121.86(3.9) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 173.821 CA :: 56.230 CB :: 40.108 CD1 :: 132.189 CD2 :: 132.189 CE1 :: 130.248 CE2 :: 130.248 CZ :: 128.920 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.743 HA :: 4.489 HB2 :: 3.568 HB3 :: 3.065 HD1 :: 7.071 HD2 :: 7.071 HE1 :: 6.720 HE2 :: 6.720 HZ :: 6.387 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 108.953 Ave N Shift Values>> N :: 120.45(4.18) 1.Q55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 Q 0.25 E 0.14 K 0.11 R 0.06 I 0.02 C Shift Assignments>> C :: 173.230 CA :: 55.596 CB :: 27.213 CG :: 35.067 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.175 HA :: 3.536 HB2 :: 2.476 HB3 :: 2.243 HG2 :: 2.496 HG3 :: 2.069 HE21 :: 8.657 HE22 :: 5.370(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.071 NE2 :: 115.705 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 177.086 CA :: 61.938 CB :: 40.226 CG1 :: 29.160 CG2 :: 19.303 CD1 :: 14.426 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.556 HA :: 4.054 HB :: 1.809 HG12 :: 1.857 HG13 :: 1.071 HG21 :: 1.026 HG22 :: 1.026 HG23 :: 1.026 HD11 :: 1.059 HD12 :: 1.059 HD13 :: 1.059 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.104 Ave N Shift Values>> N :: 121.46(4.28) 1.N57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.33 R 0.27 D 0.13 K 0.05 F 0.05 G 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.583 CA :: 54.732 CB :: 43.280 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.484 HA :: 6.211(S) HB2 :: 3.214 HB3 :: 3.214 HD21 :: 8.532 HD22 :: 7.338 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 127.242 ND2 :: 116.146 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.22 D 0.16 K 0.11 F 0.06 C 0.04 Y 0.03 G 0.01 N 0.01 C Shift Assignments>> C :: 176.691 CA :: 54.868 CB :: 42.813 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.880 HA :: 5.220 HB2 :: 3.385 HB3 :: 3.385 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.382 Ave N Shift Values>> N :: 120.65(3.86) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 K 0.07 G 0.05 L 0.01 HN Overlap>> 1.T85 1.T85 C Shift Assignments>> C :: 178.180 CA :: 58.298 CB :: 29.755 CG :: 26.846 CD :: 43.198 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.527 HA :: 4.126 HB2 :: 1.570 HB3 :: 1.443 HG2 :: 1.135 HG3 :: 0.918 HD2 :: 2.997 HD3 :: 2.997 HE :: 7.091 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.463 NE :: 84.301 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 177.957 CA :: 57.556 CB :: 40.169 CD1 :: 133.271 CD2 :: 133.271 CE1 :: 118.146 CE2 :: 118.146 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.425 HA :: 4.666 HB2 :: 2.126 HB3 :: 1.434(S) HD1 :: 6.912 HD2 :: 6.912 HE1 :: 6.745 HE2 :: 6.745 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 110.381 Ave N Shift Values>> N :: 120.52(4.2) 1.W61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 W 0.31 C Shift Assignments>> C :: 174.883 CA :: 59.934 CB :: 33.291 CD1 :: 129.502 CE3 :: 123.296 CZ2 :: 114.170 CZ3 :: 121.432 CH2 :: 123.618 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.152 HA :: 4.914 HB2 :: 3.475 HB3 :: 3.339 HD1 :: 7.801 HE1 :: 10.523 HE3 :: 7.832 HZ2 :: 7.252 HZ3 :: 6.836 HH2 :: 6.920 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 115.834 NE1 :: 129.293 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 C 0.04 C Shift Assignments>> C :: 170.972 CA :: 52.150 CB :: 47.071 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.546 HA :: 5.409 HB2 :: 2.816 HB3 :: 2.465 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 111.761 Ave N Shift Values>> N :: 120.17(4.64) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.743 CA :: 55.929 CB :: 65.260 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.440 HA :: 4.851 HB2 :: 3.878 HB3 :: 3.560 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.971 Ave N Shift Values>> N :: 116.28(3.52) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.43 R 0.08 C Shift Assignments>> C :: 175.877 CA :: 56.813 CB :: 32.362 CG :: 24.278 CD :: 29.437 CE :: 41.942 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.159 HA :: 4.309 HB2 :: 1.965 HB3 :: 1.965 HG2 :: 1.553 HG3 :: 1.439 HD2 :: 1.714 HD3 :: 1.714 HE2 :: 3.005 HE3 :: 3.005 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.572 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.841 CA :: 44.419 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.980 HA2 :: 4.292 HA3 :: 3.865 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.819 Ave N Shift Values>> N :: 109.67(3.87) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.11 C 0.02 L 0.01 C Shift Assignments>> C :: 177.607 CA :: 53.218 CB :: 19.541 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.198 HA :: 4.187 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.806 Ave N Shift Values>> N :: 123.23(3.54) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.132 CA :: 55.348 CB :: 64.013 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.923 HA :: 5.029 HB2 :: 3.853 HB3 :: 3.692 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.830 Ave N Shift Values>> N :: 116.28(3.52) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 174.882 CA :: 63.107 CB :: 31.909 CG :: 27.295 CD :: 50.604 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.821 HB2 :: 1.700 HB3 :: 1.957 HG2 :: 2.040 HG3 :: 2.040 HD2 :: 3.799 HD3 :: 3.709 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 171.387 CA :: 45.798 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.641 HA2 :: 4.206 HA3 :: 4.038 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.417 Ave N Shift Values>> N :: 109.67(3.87) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.32 K 0.22 G 0.02 C Shift Assignments>> C :: 178.749 CA :: 57.821 CB :: 29.882 CG :: 25.647 CD :: 28.778 CE :: 42.786 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.409 HA :: 3.918 HB2 :: 1.824 HB3 :: 1.311 HG2 :: 1.276 HG3 :: 1.155 HD2 :: 1.412 HD3 :: 1.412 HE2 :: 3.001 HE3 :: 2.919 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 109.842 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 C 0.13 I 0.12 L 0.06 D 0.04 K 0.03 C Shift Assignments>> C :: 178.367 CA :: 58.705 CB :: 40.324 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.065 HA :: 4.473 HB2 :: 2.697 HB3 :: 2.607 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.727 Ave N Shift Values>> N :: 120.65(3.86) 1.C72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.18 L 0.17 Y 0.15 C 0.08 N 0.08 K 0.05 I 0.01 C Shift Assignments>> C :: 173.884 CA :: 55.699 CB :: 40.437 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.153 HA :: 4.592 HB2 :: 3.680 HB3 :: 3.680 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 112.748 Ave N Shift Values>> N :: 120.17(4.64) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.21 E 0.13 M 0.1 Y 0.07 F 0.04 D 0.02 K 0.02 C Shift Assignments>> C :: 173.285 CA :: 53.681 CB :: 36.704 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.148 HA :: 3.922 HB2 :: 3.195 HB3 :: 2.410 HD21 :: 7.374 HD22 :: 6.583 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.769 ND2 :: 109.719 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.18 C Shift Assignments>> C :: 174.650 CA :: 59.182 CB :: 36.647 CG1 :: 21.697 CG2 :: 21.911 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.985 HA :: 4.727 HB :: 2.065 HG11 :: 0.815 HG12 :: 0.815 HG13 :: 0.815 HG21 :: 1.129 HG22 :: 1.129 HG23 :: 1.129 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.550 Ave N Shift Values>> N :: 121.14(4.54) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.4 R 0.08 C Shift Assignments>> C :: 178.523 CA :: 56.141 CB :: 32.527 CG :: 24.987 CD :: 29.272 CE :: 41.818 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.278 HA :: 4.851 HB2 :: 1.972 HB3 :: 1.518 HG2 :: 1.229 HG3 :: 1.144 HD2 :: 1.987 HD3 :: 1.584 HE3 :: 2.859 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.255 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.24 C 0.22 F 0.18 E 0.13 I 0.08 N 0.03 M 0.03 D 0.02 L 0.01 C Shift Assignments>> C :: 176.808 CA :: 57.347 CB :: 37.718 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.317 HA :: 3.817 HB2 :: 2.036 HB3 :: 1.044(S) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.833 Ave N Shift Values>> N :: 120.17(4.64) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.491 CA :: 61.551 CB :: 61.614 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.595 HA :: 3.961 HB2 :: 3.932 HB3 :: 3.819 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.906 Ave N Shift Values>> N :: 116.28(3.52) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 L 0.19 F 0.17 Y 0.14 K 0.12 C 0.07 N 0.04 I 0.01 C Shift Assignments>> C :: 175.761 CA :: 56.106 CB :: 40.913 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.398 HA :: 4.820 HB2 :: 2.981 HB3 :: 2.842 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.042 Ave N Shift Values>> N :: 120.65(3.86) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.24 A 0.18 C Shift Assignments>> C :: 175.528 CA :: 53.793 CB :: 40.333 CG :: 26.183 CD1 :: 26.286 CD2 :: 22.371 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.973 HA :: 4.494 HB2 :: 2.214 HB3 :: 1.808 HG :: 1.824 HD11 :: 0.989 HD12 :: 0.989 HD13 :: 0.989 HD21 :: 0.714 HD22 :: 0.714 HD23 :: 0.714 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.454 Ave N Shift Values>> N :: 121.86(3.9) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.19 C 0.15 R 0.03 A 0.01 C Shift Assignments>> C :: 177.811 CA :: 53.464 CB :: 43.852 CG :: 26.323 CD1 :: 25.819 CD2 :: 23.999 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.900 HA :: 5.508 HB2 :: 1.851 HB3 :: 1.756 HG :: 1.760 HD11 :: 1.046 HD12 :: 1.046 HD13 :: 1.046 HD21 :: 1.014 HD22 :: 1.014 HD23 :: 1.014 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.470 Ave N Shift Values>> N :: 121.86(3.9) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.513 CA :: 60.986 CB :: 70.350 CG2 :: 21.577 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.198 HA :: 4.404 HB :: 4.680 HG21 :: 1.372 HG22 :: 1.372 HG23 :: 1.372 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.395 Ave N Shift Values>> N :: 115.42(4.75) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.24 C 0.14 D 0.13 N 0.08 L 0.08 I 0.04 HN Overlap>> 1.T41 1.T41 C Shift Assignments>> C :: 176.110 CA :: 56.462 CB :: 39.325 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.591 HA :: 4.201 HB2 :: 2.704 HB3 :: 2.566 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.577 Ave N Shift Values>> N :: 120.65(3.86) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.25 K 0.11 N 0.09 F 0.05 C 0.04 R 0.04 Y 0.03 C Shift Assignments>> C :: 178.336 CA :: 53.206 CB :: 41.756 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.658 HA :: 4.835 HB2 :: 2.880 HB3 :: 2.671 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.416 Ave N Shift Values>> N :: 120.65(3.86) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 175.550 CA :: 61.445 CB :: 39.127 CG1 :: 25.660 CG2 :: 17.188 CD1 :: 15.574 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.667 HA :: 4.821 HB :: 2.126 HG12 :: 1.083 HG13 :: 0.339 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 HD11 :: 0.414 HD12 :: 0.414 HD13 :: 0.414 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.600 Ave N Shift Values>> N :: 121.46(4.28) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.R59 1.R59 C Shift Assignments>> C :: 176.606 CA :: 68.115 CB :: 68.950 CG2 :: 21.185 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.529 HA :: 4.241 HB :: 3.468 HG21 :: 1.314 HG22 :: 1.314 HG23 :: 1.314 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.427 Ave N Shift Values>> N :: 115.42(4.75) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 R 0.29 K 0.07 G 0.01 C Shift Assignments>> C :: 179.490 CA :: 61.038 CB :: 32.445 CG :: 27.214 CD :: 30.343 CE :: 42.292 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.027 HA :: 3.980 HB2 :: 1.814 HB3 :: 1.651 HG2 :: 1.664 HG3 :: 1.506 HD2 :: 1.717 HD3 :: 1.717 HE2 :: 3.060 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.363 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.34 I 0.05 C 0.03 C Shift Assignments>> C :: 178.067 CA :: 55.537 CB :: 18.273 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.382 HA :: 3.994 HB1 :: 1.765 HB2 :: 1.765 HB3 :: 1.765 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.562 Ave N Shift Values>> N :: 123.23(3.54) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.43 I 0.03 C 0.02 C Shift Assignments>> C :: 178.451 CA :: 55.075 CB :: 18.312 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.335 HA :: 3.695 HB1 :: 1.433 HB2 :: 1.433 HB3 :: 1.433 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.803 Ave N Shift Values>> N :: 123.23(3.54) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.33 R 0.18 G 0.01 C Shift Assignments>> C :: 179.596 CA :: 59.925 CB :: 32.650 CG :: 25.670 CD :: 29.767 CE :: 42.462 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.822 HA :: 3.872 HB2 :: 1.945 HB3 :: 1.945 HG2 :: 1.676 HG3 :: 1.458 HE2 :: 3.001 HE3 :: 2.907 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.905 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.22 M 0.21 C 0.18 K 0.17 R 0.04 H 0.04 E 0.04 W 0.02 V 0.01 C Shift Assignments>> C :: 175.319 CA :: 56.247 CB :: 33.991 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.638 HA :: 4.866 HB2 :: 3.437 HB3 :: 2.861 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.061 Ave N Shift Values>> N :: 120.17(4.64) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 A 0.13 I 0.06 C 0.01 C Shift Assignments>> C :: 179.717 CA :: 55.840 CB :: 16.585 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.846 HA :: 3.942 HB1 :: 0.706 HB2 :: 0.706 HB3 :: 0.706 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.093 Ave N Shift Values>> N :: 123.23(3.54) 1.K92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 K 0.38 R 0.05 C Shift Assignments>> C :: 179.155 CA :: 60.283 CB :: 32.424 CG :: 25.983 CD :: 29.246 CE :: 41.293 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.896 HA :: 3.887 HB2 :: 1.719 HB3 :: 1.719 HG2 :: 1.149 HG3 :: 0.790 HD2 :: 1.135 HD3 :: 1.135 HE2 :: 2.023(S) HE3 :: 1.951(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.119 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.35 R 0.15 G 0.01 C Shift Assignments>> C :: 178.927 CA :: 60.179 CB :: 32.156 CG :: 25.703 CD :: 29.632 CE :: 42.292 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.526 HA :: 4.071 HB2 :: 2.201 HB3 :: 2.111 HG2 :: 1.672 HG3 :: 1.486 HD2 :: 1.908 HD3 :: 2.221 HE2 :: 3.116 HE3 :: 3.026 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.159 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I94 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 178.840 CA :: 65.848 CB :: 36.866 CG1 :: 25.783 CG2 :: 17.075 CD1 :: 14.488 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.115 HA :: 2.971 HB :: 1.653 HG12 :: 0.821 HG13 :: -2.074(A) HG21 :: -0.232(S) HG22 :: -0.232(S) HG23 :: -0.232(S) HD11 :: -0.165 HD12 :: -0.165 HD13 :: -0.165 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.148 Ave N Shift Values>> N :: 121.46(4.28) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Y 0.47 C Shift Assignments>> C :: 178.525 CA :: 60.798 CB :: 39.074 CD1 :: 131.507 CD2 :: 131.507 CE1 :: 119.696 CE2 :: 119.696 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.634 HA :: 4.217 HB2 :: 3.211 HB3 :: 3.211 HD1 :: 6.330 HD2 :: 6.330 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.846 Ave N Shift Values>> N :: 120.52(4.2) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.12 C Shift Assignments>> C :: 177.608 CA :: 59.376 CB :: 32.156 CG :: 25.317 CD :: 29.519 CE :: 42.209 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.225 HA :: 3.859 HB2 :: 2.026 HB3 :: 1.926 HG2 :: 1.610 HG3 :: 1.496 HD2 :: 1.731 HE2 :: 3.010 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.876 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 K 0.08 G 0.04 C Shift Assignments>> C :: 177.665 CA :: 57.325 CB :: 31.744 CG :: 27.035 CD :: 43.198 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.251 HA :: 4.157 HB2 :: 1.738 HB3 :: 1.408 HG2 :: 1.516 HG3 :: 1.448 HD2 :: 3.206 HD3 :: 3.141 HE :: 7.376 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.541 NE :: 84.202 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.32 C 0.26 C Shift Assignments>> C :: 173.608 CA :: 54.938 CB :: 31.560 CD2 :: 119.474 CE1 :: 137.890 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.472 HA :: 4.835 HB2 :: 3.289 HB3 :: 2.615 HD2 :: 7.011 HE1 :: 8.644 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 114.184 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R99 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 R 0.28 L 0.26 K 0.07 G 0.02 C Shift Assignments>> C :: 174.799 CA :: 57.001 CB :: 27.568 CG :: 27.128 CD :: 42.786 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.548 HA :: 2.421(S) HB2 :: 1.328 HB3 :: 1.072 HG2 :: 2.038 HG3 :: 1.334 HD2 :: 2.860 HD3 :: 2.804 HE :: 6.980 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.465 NE :: 84.852 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.F100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.7 F 0.29 C Shift Assignments>> C :: 176.376 CA :: 59.058 CB :: 35.715 CD1 :: 130.418 CD2 :: 130.418 CE1 :: 130.398 CE2 :: 130.398 CZ :: 128.709 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.283 HA :: 4.620 HB2 :: 1.503(S) HB3 :: 0.396(S) HD1 :: 6.294 HD2 :: 6.294 HE1 :: 5.520(S) HE2 :: 5.520(S) HZ :: 5.879 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.030 Ave N Shift Values>> N :: 120.45(4.18) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 D 0.18 L 0.15 C 0.09 K 0.06 N 0.04 I 0.02 C Shift Assignments>> C :: 175.286 CA :: 56.494 CB :: 40.479 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.604 HA :: 4.368 HB2 :: 2.818 HB3 :: 2.818 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.789 Ave N Shift Values>> N :: 120.65(3.86) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 C 0.01 C Shift Assignments>> C :: 176.934 CA :: 52.870 CB :: 18.412 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.843 HA :: 3.989 HB1 :: 0.641 HB2 :: 0.641 HB3 :: 0.641 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.191 Ave N Shift Values>> N :: 123.23(3.54) 1.W103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 W 0.36 C Shift Assignments>> C :: 176.619 CA :: 59.924 CB :: 29.516 CD1 :: 126.992 CE3 :: 122.494 CZ2 :: 112.173 CZ3 :: 122.424 CH2 :: 125.171 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.335 HA :: 4.913 HB2 :: 3.541 HB3 :: 3.376 HD1 :: 7.175 HE1 :: 10.945 HE3 :: 7.803 HZ2 :: 7.106 HZ3 :: 7.155 HH2 :: 7.730 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.287 NE1 :: 130.876 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 177.866 CA :: 61.622 CB :: 38.095 CD1 :: 133.268 CD2 :: 133.268 CE1 :: 118.425 CE2 :: 118.425 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.322 HA :: 4.272 HB2 :: 3.318 HB3 :: 3.190 HD1 :: 7.261 HD2 :: 7.261 HE1 :: 6.926 HE2 :: 6.926 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 129.009 Ave N Shift Values>> N :: 120.52(4.2) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 176.313 CA :: 47.354 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.942 HA2 :: 4.069 HA3 :: 3.824 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.647 Ave N Shift Values>> N :: 109.67(3.87) 1.W106 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 178.434 CA :: 61.083 CB :: 29.243 CD1 :: 125.947 CE3 :: 121.626 CZ2 :: 115.712 CZ3 :: 121.550 CH2 :: 124.620 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.272 HA :: 3.865 HB2 :: 3.955 HB3 :: 2.815 HD1 :: 6.645 HE1 :: 10.222 HE3 :: 7.280 HZ2 :: 7.468 HZ3 :: 7.102 HH2 :: 7.350 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.235 NE1 :: 131.582 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HA > HB2 : 0.9942) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.46 R 0.05 C Shift Assignments>> C :: 177.552 CA :: 59.536 CB :: 32.280 CG :: 24.977 CD :: 29.272 CE :: 41.749 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.290 HA :: 3.434 HB2 :: 1.926 HB3 :: 1.926 HG2 :: 1.747 HG3 :: 1.624 HD2 :: 1.919 HE2 :: 3.000 HE3 :: 3.000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.497 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.24 F 0.11 Y 0.11 L 0.09 C 0.09 HN Overlap>> 1.G112 1.G112 C Shift Assignments>> C :: 176.369 CA :: 54.232 CB :: 39.466 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.870 HA :: 4.367 HB2 :: 2.168 HB3 :: 2.061 HD21 :: 6.983 HD22 :: 6.582 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 110.611 ND2 :: 111.892 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.36 C 0.25 C Shift Assignments>> C :: 175.341 CA :: 55.787 CB :: 29.702 CD2 :: 120.569 CE1 :: 137.142 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.994 HA :: 4.851 HB2 :: 2.390 HB3 :: 2.221 HD2 :: 7.431 HE1 :: 8.729 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 110.936 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.26 K 0.13 N 0.07 F 0.06 R 0.05 C 0.04 Y 0.04 C Shift Assignments>> C :: 172.869 CA :: 53.719 CB :: 41.792 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.463 HA :: 4.804 HB2 :: 2.887 HB3 :: 1.837 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.547 Ave N Shift Values>> N :: 120.17(4.64) 1.Q111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.34 C 0.24 K 0.23 R 0.07 E 0.06 M 0.01 C Shift Assignments>> C :: 175.732 CA :: 54.661 CB :: 28.105 CG :: 34.216 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.201 HA :: 3.945 HB2 :: 2.081 HB3 :: 1.664 HG2 :: 1.991 HG3 :: 1.567 HE21 :: 6.201 HE22 :: 4.450(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.278 NE2 :: 113.315 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 HN Overlap>> 1.N108 1.N108 C Shift Assignments>> C :: 173.370 CA :: 44.608 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.955 HA2 :: 4.154 HA3 :: 3.572 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.591 Ave N Shift Values>> N :: 109.67(3.87) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.290 CA :: 58.705 CB :: 63.215 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.232 HA :: 4.261 HB2 :: 3.809 HB3 :: 3.749 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.142 Ave N Shift Values>> N :: 116.28(3.52) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.16 A 0.1 R 0.06 G 0.05 C Shift Assignments>> C :: 179.896 CA :: 53.277 CB :: 42.918 CG :: 26.458 CD1 :: 26.276 CD2 :: 22.773 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.489 HA :: 4.686 HB2 :: 1.551 HB3 :: 1.175 HG :: 1.673 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.431 Ave N Shift Values>> N :: 121.86(3.9) 1.P115 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 :: 175.534 CA :: 63.001 CB :: 31.909 CG :: 27.792 CD :: 50.461 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.267 HB2 :: 1.432 HB3 :: 2.088 HG2 :: 1.911 HG3 :: 1.810 HD2 :: 3.662 HD3 :: 3.545 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.19 N 0.17 F 0.08 Y 0.06 C 0.05 K 0.05 C Shift Assignments>> C :: 177.080 CA :: 53.811 CB :: 40.809 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.574 HA :: 4.615 HB2 :: 2.841 HB3 :: 2.674 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.733 Ave N Shift Values>> N :: 120.65(3.86) 1.I117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 177.661 CA :: 60.208 CB :: 38.578 CG1 :: 25.894 CG2 :: 17.333 CD1 :: 15.112 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.044 HA :: 4.712 HB :: 2.126 HG12 :: 1.281 HG13 :: 0.952 HG21 :: 0.635 HG22 :: 0.635 HG23 :: 0.635 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.589 Ave N Shift Values>> N :: 121.46(4.28) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.467 CA :: 61.993 CB :: 62.977 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.674 HA :: 4.134 HB2 :: 3.999 HB3 :: 3.999 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.736 Ave N Shift Values>> N :: 116.28(3.52) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.319 CA :: 58.748 CB :: 63.388 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.354 HA :: 4.601 HB2 :: 3.954 HB3 :: 3.897 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.896 Ave N Shift Values>> N :: 116.28(3.52) 1.C120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 M 0.26 Q 0.13 N 0.09 K 0.08 E 0.04 H 0.02 R 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 175.210 CA :: 52.287 CB :: 34.844 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.602 HA :: 4.651 HB2 :: 3.021 HB3 :: 2.831 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.950 Ave N Shift Values>> N :: 120.17(4.64) ########################################################################### Overall Results: #Consistent: 106 #Clerical: 0 #Suspicious: 13 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 120 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 117 #Suspicious: 3 C Shift Results: #Consistent: 536 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 789 #Duplicate: 0 #Unknown: 0 #Suspicious: 22 #Anomalous: 1 N Shift Results: #Consistent: 138 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.L13 HD21 = -0.377(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.3495e-04 1.L13 HD22 = -0.377(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.3495e-04 1.L13 HD23 = -0.377(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.3495e-04 1.F18 HE1 = 5.782(S), Expected = 7.08, Std = 0.3100, ChiSquare = 2.8255e-05 1.F18 HE2 = 5.782(S), Expected = 7.08, Std = 0.3200, ChiSquare = 4.9867e-05 1.N25 HB3 = 1.473(S), Expected = 2.75, Std = 0.3300, ChiSquare = 1.0897e-04 1.R36 HB2 = 2.862(S), Expected = 1.79, Std = 0.2700, ChiSquare = 7.1761e-05 1.R36 N = 104.400(S), Expected = 120.80, Std = 3.6800, ChiSquare = 8.3300e-06 1.R36 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.R36 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.Q55 HE22 = 5.370(S), Expected = 7.02, Std = 0.4400, ChiSquare = 1.7683e-04 1.N57 HA = 6.211(S), Expected = 4.67, Std = 0.3600, ChiSquare = 1.8643e-05 1.Y60 HB3 = 1.434(S), Expected = 2.84, Std = 0.3900, ChiSquare = 3.1200e-04 1.C76 HB3 = 1.044(S), Expected = 2.89, Std = 0.4600, ChiSquare = 5.9941e-05 1.K92 HE2 = 2.023(S), Expected = 2.92, Std = 0.1900, ChiSquare = 2.3463e-06 1.K92 HE3 = 1.951(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.6267e-06 1.I94 HG13 = -2.074(A), Expected = 1.19, Std = 0.4100, ChiSquare = 1.7069e-15 1.I94 HG21 = -0.232(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.0635e-04 1.I94 HG22 = -0.232(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.0635e-04 1.I94 HG23 = -0.232(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.0635e-04 1.R99 HA = 2.421(S), Expected = 4.30, Std = 0.4600, ChiSquare = 4.4118e-05 1.R99 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.F100 HB2 = 1.503(S), Expected = 3.00, Std = 0.3700, ChiSquare = 5.2112e-05 1.F100 HB3 = 0.396(S), Expected = 2.93, Std = 0.4000, ChiSquare = 2.3734e-10 1.F100 HE1 = 5.520(S), Expected = 7.08, Std = 0.3100, ChiSquare = 4.8474e-07 1.F100 HE2 = 5.520(S), Expected = 7.08, Std = 0.3200, ChiSquare = 1.0881e-06 1.W106 SRO Rule Break>> HA > HB2 : 0.994219653179191 1.Q111 HE22 = 4.450(S), Expected = 7.02, Std = 0.4400, ChiSquare = 5.1917e-09