Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.P1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.866 CA :: 45.281 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.546 HA2 :: 3.874 HA3 :: 3.957 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.352 Ave N Shift Values>> N :: 109.67(3.87) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.47 HN Overlap>> 1.W40 1.W40 C Shift Assignments>> C :: 175.674 CA :: 57.863 CB :: 39.488 CD1 :: 131.671 CD2 :: 131.671 CE1 :: 129.735 CE2 :: 129.735 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 :: 8.130 HA :: 4.550 HB2 :: 3.082 HB3 :: 2.971 HD1 :: 7.171 HD2 :: 7.171 HE1 :: 7.241 HE2 :: 7.241 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 :: 120.088 Ave N Shift Values>> N :: 120.45(4.18) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.04 R 0.03 G 0.02 C Shift Assignments>> C :: 176.623 CA :: 54.864 CB :: 42.353 CG :: 26.766 CD1 :: 24.846 CD2 :: 23.252 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 :: 8.250 HA :: 4.273 HB2 :: 1.551 HB3 :: 1.488 HG :: 1.482 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 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 :: 123.592 Ave N Shift Values>> N :: 121.86(3.9) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.23 N 0.12 F 0.1 K 0.1 Y 0.07 R 0.01 C Shift Assignments>> C :: 175.622 CA :: 54.281 CB :: 41.071 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 :: 8.242 HA :: 4.487 HB2 :: 2.632 HB3 :: 2.534 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 :: 121.357 Ave N Shift Values>> N :: 120.65(3.86) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.18 G 0.01 C Shift Assignments>> C :: 174.285 CA :: 54.078 CB :: 32.541 CG :: 24.482 CD :: 29.041 CE :: 42.183 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 :: 8.178 HA :: 4.561 HB2 :: 1.779 HB3 :: 1.671 HG2 :: 1.427 HG3 :: 1.390 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.969 HE3 :: 2.969 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 :: 122.529 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.976 CA :: 63.073 CB :: 32.192 CG :: 27.363 CD :: 50.610 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 :: 4.431 HB2 :: 1.840 HB3 :: 2.259 HG2 :: 1.968 HG3 :: 1.968 HD2 :: 3.748 HD3 :: 3.609 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.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.243 CA :: 62.044 CB :: 69.725 CG2 :: 21.616 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 :: 8.411 HA :: 4.229 HB :: 4.098 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 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 :: 116.163 Ave N Shift Values>> N :: 115.42(4.75) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.04 A 0.02 G 0.02 C Shift Assignments>> C :: 176.792 CA :: 54.854 CB :: 42.312 CG :: 26.948 CD1 :: 24.911 CD2 :: 23.543 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 :: 8.421 HA :: 4.360 HB2 :: 1.557 HB3 :: 1.557 HG :: 1.575 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 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 :: 126.069 Ave N Shift Values>> N :: 121.86(3.9) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 A 0.04 G 0.04 R 0.02 C Shift Assignments>> C :: 176.883 CA :: 54.648 CB :: 42.670 CG :: 27.256 CD1 :: 24.296 CD2 :: 23.256 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 :: 8.299 HA :: 4.423 HB2 :: 1.592 HB3 :: 1.453 HG :: 1.613 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.784 HD22 :: 0.784 HD23 :: 0.784 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 :: 124.213 Ave N Shift Values>> N :: 121.86(3.9) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.021 CA :: 56.517 CB :: 63.129 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.892 HA :: 4.691 HB2 :: 3.941 HB3 :: 4.190 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 :: 119.435 Ave N Shift Values>> N :: 116.28(3.52) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.620 CA :: 65.150 CB :: 31.863 CG :: 27.886 CD :: 50.295 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 :: 4.262 HB2 :: 1.911 HB3 :: 2.338 HG2 :: 2.142 HG3 :: 2.010 HD2 :: 3.884 HD3 :: 3.833 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.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.28 K 0.09 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.353 CA :: 59.000 CB :: 29.315 CG :: 36.588 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 :: 8.676 HA :: 4.045 HB2 :: 1.984 HB3 :: 1.930 HG2 :: 2.341 HG3 :: 2.260 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 :: 118.385 Ave N Shift Values>> N :: 120.67(3.48) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 I 0.14 M 0.09 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.223 CA :: 58.071 CB :: 30.367 CG :: 37.056 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 :: 8.085 HA :: 4.092 HB2 :: 2.200 HB3 :: 1.990 HG2 :: 2.298 HG3 :: 2.222 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 :: 122.034 Ave N Shift Values>> N :: 120.67(3.48) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 178.587 CA :: 56.811 CB :: 41.885 CG :: 26.931 CD1 :: 25.222 CD2 :: 23.846 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 :: 8.453 HA :: 4.100 HB2 :: 1.691 HB3 :: 1.541 HG :: 1.563 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 122.370 Ave N Shift Values>> N :: 121.86(3.9) 1.K21 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.93 G 0.06 C Shift Assignments>> C :: 177.546 CA :: 57.880 CB :: 32.634 CG :: 29.215(S) CD :: 24.886(S) CE :: 42.163 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 :: 8.009 HA :: 4.109 HB2 :: 1.825 HB3 :: 1.825 HG2 :: 1.636 HG3 :: 1.636 HD2 :: 1.470 HD3 :: 1.389 HE2 :: 2.928 HE3 :: 2.928 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 :: 120.850 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.22 C Shift Assignments>> C :: 178.301 CA :: 53.632 CB :: 18.821 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.970 HA :: 4.166 HB1 :: 1.418 HB2 :: 1.418 HB3 :: 1.418 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.892 Ave N Shift Values>> N :: 123.23(3.54) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.2 C Shift Assignments>> C :: 178.210 CA :: 53.086 CB :: 18.618 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.010 HA :: 4.262 HB1 :: 1.425 HB2 :: 1.425 HB3 :: 1.425 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.388 Ave N Shift Values>> N :: 123.23(3.54) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.699 CA :: 58.697 CB :: 63.820 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.020 HA :: 4.410 HB2 :: 3.918 HB3 :: 3.922 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 :: 114.170 Ave N Shift Values>> N :: 116.28(3.52) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 K 0.1 G 0.09 C Shift Assignments>> C :: 176.857 CA :: 56.453 CB :: 30.762 CG :: 27.160 CD :: 43.298 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 :: 8.180 HA :: 4.339 HB2 :: 1.890 HB3 :: 1.790 HG2 :: 1.688 HG3 :: 1.627 HD2 :: 3.159 HD3 :: 3.159 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 :: 122.324 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.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 HN Overlap>> 1.G28 1.G28 C Shift Assignments>> C :: 173.905 CA :: 45.397 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.450 HA2 :: 3.950 HA3 :: 3.950 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.428 Ave N Shift Values>> N :: 109.67(3.87) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.23 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> C :: 175.609 CA :: 53.297 CB :: 39.106 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 :: 8.490 HA :: 4.747 HB2 :: 2.842 HB3 :: 2.769 HD21 :: 7.710 HD22 :: 6.970 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 :: 118.776 ND2 :: 113.216 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 HN Overlap>> 1.G26 1.G26 C Shift Assignments>> C :: 173.320 CA :: 45.270 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.478 HA2 :: 3.950 HA3 :: 3.870 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.396 Ave N Shift Values>> N :: 109.67(3.87) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.3 Q 0.05 K 0.02 I 0.01 C Shift Assignments>> C :: 174.972 CA :: 55.975 CB :: 31.121 CG :: 36.408 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 :: 8.325 HA :: 4.407 HB2 :: 1.988 HB3 :: 1.867 HG2 :: 2.199 HG3 :: 2.130 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 :: 120.119 Ave N Shift Values>> N :: 120.67(3.48) 1.Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.M78 1.M78 C Shift Assignments>> C :: 174.686 CA :: 57.514 CB :: 41.116 CD1 :: 133.109 CD2 :: 133.109 CE1 :: 117.942 CE2 :: 117.942 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 :: 8.044 HA :: 4.824 HB2 :: 2.544 HB3 :: 2.479 HD1 :: 6.731 HD2 :: 6.731 HE1 :: 6.680 HE2 :: 6.680 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 :: 118.951 Ave N Shift Values>> N :: 120.52(4.2) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 A 0.38 K 0.04 C Shift Assignments>> C :: 174.074 CA :: 50.833 CB :: 23.015 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.027 HA :: 4.599 HB1 :: 1.170 HB2 :: 1.170 HB3 :: 1.170 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.239 Ave N Shift Values>> N :: 123.23(3.54) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.544 CA :: 56.521 CB :: 31.967 CD1 :: 126.007 CE3 :: 119.960 CZ2 :: 114.012 CZ3 :: 120.401 CH2 :: 122.495 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 :: 8.617 HA :: 5.319 HB2 :: 3.267 HB3 :: 2.838 HD1 :: 7.157 HE1 :: 10.758 HE3 :: 6.702 HZ2 :: 6.791 HZ3 :: 7.272 HH2 :: 6.596 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 :: 120.133 NE1 :: 129.637 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 Y 0.49 HN Overlap>> 1.Q80 1.Q80 C Shift Assignments>> C :: 174.595 CA :: 56.120 CB :: 44.098 CD1 :: 132.777 CD2 :: 132.777 CE1 :: 118.298 CE2 :: 118.298 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 :: 9.681 HA :: 5.710 HB2 :: 3.020 HB3 :: 2.447 HD1 :: 6.597 HD2 :: 6.597 HE1 :: 6.512 HE2 :: 6.512 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 :: 120.408 Ave N Shift Values>> N :: 120.52(4.2) 1.Y34 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.491 CA :: 54.834 CB :: 41.072 CD1 :: 133.388 CD2 :: 133.388 CE1 :: 116.203 CE2 :: 116.203 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 :: 9.433 HA :: 6.063 HB2 :: 3.026 HB3 :: 2.531 HD1 :: 5.903(S) HD2 :: 5.903(S) HE1 :: 5.753(S) HE2 :: 5.753(S) 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 :: 116.334 Ave N Shift Values>> N :: 120.52(4.2) SRO Rule Breaks>> (HD1 > HA : 1.0000) (HD2 > HA : 1.0000) (HE1 > HA : 1.0000) (HE2 > HA : 0.9994) 1.E35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.51 M 0.22 Q 0.15 K 0.08 I 0.02 C Shift Assignments>> C :: 175.791 CA :: 56.902 CB :: 30.632 CG :: 35.724 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 :: 8.587 HA :: 3.322 HB2 :: 1.770 HB3 :: 0.976(S) HG2 :: 1.784 HG3 :: 1.264(S) 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 :: 123.270 Ave N Shift Values>> N :: 120.67(3.48) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.31 G 0.17 D 0.05 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.736 CA :: 43.782 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.071 HA2 :: 4.210 HA3 :: 3.407 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.685 Ave N Shift Values>> N :: 109.67(3.87) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 K 0.09 G 0.07 L 0.01 C Shift Assignments>> C :: 176.951 CA :: 58.445 CB :: 29.953 CG :: 27.256 CD :: 43.082 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 :: 8.512 HA :: 3.936 HB2 :: 1.760 HB3 :: 1.710 HG2 :: 1.551 HG3 :: 1.551 HD2 :: 3.121 HD3 :: 3.121 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 :: 115.981 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.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.2 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 173.996 CA :: 52.936 CB :: 38.894 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 :: 8.793 HA :: 4.678 HB2 :: 2.871 HB3 :: 2.681 HD21 :: 7.784 HD22 :: 6.970 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 :: 115.739 ND2 :: 114.118 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.24 R 0.12 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.046 CA :: 44.526 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.234 HA2 :: 4.023 HA3 :: 3.504 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.439 Ave N Shift Values>> N :: 109.67(3.87) 1.W40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.F8 1.F8 C Shift Assignments>> C :: 176.051 CA :: 56.464 CB :: 31.008 CD1 :: 127.327 CE3 :: 119.326 CZ2 :: 114.876 CZ3 :: 122.221 CH2 :: 124.021 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 :: 8.202 HA :: 4.666 HB2 :: 2.670 HB3 :: 2.641 HD1 :: 7.028 HE1 :: 10.029 HE3 :: 7.058 HZ2 :: 7.370 HZ3 :: 6.792 HH2 :: 6.880 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 :: 120.036 NE1 :: 129.478 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.W41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.048 CA :: 55.017 CB :: 31.256 CD1 :: 126.655 CE3 :: 121.556 CZ2 :: 114.231 CZ3 :: 120.998 CH2 :: 124.193 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 :: 9.197 HA :: 4.686 HB2 :: 1.592(S) HB3 :: 2.667 HD1 :: 6.663 HE1 :: 10.101 HE3 :: 7.030 HZ2 :: 7.350 HZ3 :: 7.623 HH2 :: 7.091 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 :: 124.980 NE1 :: 129.103 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.38 M 0.09 R 0.06 E 0.05 C Shift Assignments>> C :: 177.924 CA :: 56.280 CB :: 29.222 CG :: 33.460 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 :: 8.940 HA :: 4.358 HB2 :: 1.929 HB3 :: 1.788 HG2 :: 2.878 HG3 :: 1.939 HE21 :: 6.821 HE22 :: 7.790 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 :: 123.836 NE2 :: 110.898 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.545 CA :: 61.409 CB :: 40.118 CD1 :: 132.880 CD2 :: 132.880 CE1 :: 117.929 CE2 :: 117.929 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 :: 8.688 HA :: 4.594 HB2 :: 3.150 HB3 :: 2.835 HD1 :: 7.229 HD2 :: 7.229 HE1 :: 6.676 HE2 :: 6.676 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 :: 126.681 Ave N Shift Values>> N :: 120.52(4.2) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 N 0.13 K 0.1 F 0.08 Y 0.06 R 0.01 C Shift Assignments>> C :: 176.493 CA :: 53.749 CB :: 41.246 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 :: 8.790 HA :: 4.600 HB2 :: 3.229 HB3 :: 2.913 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 :: 118.526 Ave N Shift Values>> N :: 120.65(3.86) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.37 K 0.07 Q 0.03 M 0.02 HN Overlap>> 1.K91 1.K91 C Shift Assignments>> C :: 178.379 CA :: 60.529 CB :: 29.778 CG :: 36.247 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 :: 9.099 HA :: 4.016 HB2 :: 2.138 HB3 :: 2.060 HG2 :: 2.390 HG3 :: 2.295 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 :: 122.787 Ave N Shift Values>> N :: 120.67(3.48) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.13 K 0.06 L 0.01 C Shift Assignments>> C :: 178.964 CA :: 59.626 CB :: 29.673 CG :: 27.133 CD :: 43.300 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 :: 8.472 HA :: 3.993 HB2 :: 1.912 HB3 :: 1.912 HG2 :: 1.688 HG3 :: 1.629 HD2 :: 3.232 HD3 :: 3.173 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 :: 120.492 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.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.363 CA :: 66.718 CB :: 67.793 CG2 :: 24.207 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 :: 8.783 HA :: 3.668 HB :: 3.951 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 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 :: 118.290 Ave N Shift Values>> N :: 115.42(4.75) 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 :: 174.647 CA :: 63.091 CB :: 63.201 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.634 HA :: 3.966 HB2 :: 3.687 HB3 :: 4.177 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 :: 116.663 Ave N Shift Values>> N :: 116.28(3.52) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.18 K 0.05 C Shift Assignments>> C :: 179.016 CA :: 59.362 CB :: 29.995 CG :: 27.718 CD :: 43.595 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 :: 7.720 HA :: 4.055 HB2 :: 1.978 HB3 :: 1.929 HG2 :: 1.856 HG3 :: 1.678 HD2 :: 3.246 HD3 :: 3.191 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 :: 119.751 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.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.23 K 0.16 Q 0.1 M 0.01 C Shift Assignments>> C :: 179.978 CA :: 59.091 CB :: 28.800 CG :: 35.868 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 :: 7.470 HA :: 4.005 HB2 :: 2.105 HB3 :: 1.911 HG2 :: 2.297 HG3 :: 2.297 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 :: 120.751 Ave N Shift Values>> N :: 120.67(3.48) 1.L51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.94 A 0.04 C Shift Assignments>> C :: 177.637 CA :: 57.910 CB :: 38.452 CG :: 26.134 CD1 :: 22.504 CD2 :: 24.401 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 :: 8.140 HA :: 3.246 HB2 :: 0.202(S) HB3 :: -1.286(S) HG :: 0.805 HD11 :: -0.020 HD12 :: -0.020 HD13 :: -0.020 HD21 :: -0.509(S) HD22 :: -0.509(S) HD23 :: -0.509(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 :: 122.818 Ave N Shift Values>> N :: 121.86(3.9) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.37 E 0.11 M 0.05 R 0.03 I 0.02 HN Overlap>> 1.M78 1.M78 C Shift Assignments>> C :: 179.588 CA :: 58.517 CB :: 29.338 CG :: 33.860 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 :: 7.992 HA :: 4.411 HB2 :: 2.240 HB3 :: 1.884 HG2 :: 2.320 HG3 :: 2.320 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 :: 119.084 Ave N Shift Values>> N :: 120.67(3.48) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 L 0.17 F 0.17 R 0.14 Y 0.12 D 0.06 I 0.02 HN Overlap>> 1.F69 1.F69 C Shift Assignments>> C :: 174.972 CA :: 57.816 CB :: 42.155 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 :: 8.144 HA :: 4.320 HB2 :: 2.743 HB3 :: 2.634 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 :: 120.286 Ave N Shift Values>> N :: 120.65(3.86) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.37 I 0.04 C Shift Assignments>> C :: 179.146 CA :: 55.399 CB :: 18.222 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.801 HA :: 3.891 HB1 :: 1.347 HB2 :: 1.347 HB3 :: 1.347 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.330 Ave N Shift Values>> N :: 123.23(3.54) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 Y 0.41 C Shift Assignments>> C :: 180.238 CA :: 61.390 CB :: 40.794 CD1 :: 131.534 CD2 :: 131.534 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 :: 9.099 HA :: 4.232 HB2 :: 3.463 HB3 :: 3.406 HD1 :: 7.260 HD2 :: 7.260 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 :: 120.121 Ave N Shift Values>> N :: 120.45(4.18) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.856 CA :: 61.410 CB :: 63.127 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.202 HA :: 4.068 HB2 :: 4.180 HB3 :: 4.111 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 :: 117.876 Ave N Shift Values>> N :: 116.28(3.52) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 R 0.48 G 0.01 C Shift Assignments>> C :: 176.870 CA :: 56.428 CB :: 33.871 CG :: 26.528 CD :: 29.307 CE :: 42.178 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 :: 7.487 HA :: 4.258 HB2 :: 2.067 HB3 :: 1.662 HG2 :: 1.593 HG3 :: 1.358 HD2 :: 1.576 HD3 :: 1.469 HE2 :: 3.027 HE3 :: 2.884 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 :: 119.986 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 175.271 CA :: 46.047 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.800 HA2 :: 3.885 HA3 :: 3.771 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.188 Ave N Shift Values>> N :: 109.67(3.87) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.37 G 0.01 C Shift Assignments>> C :: 176.636 CA :: 56.741 CB :: 32.609 CG :: 25.940 CD :: 29.216 CE :: 42.233 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 :: 7.927 HA :: 4.129 HB2 :: 1.939 HB3 :: 1.510 HG2 :: 1.510 HG3 :: 1.451 HD2 :: 1.762 HD3 :: 1.637 HE2 :: 2.962 HE3 :: 2.962 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 :: 118.736 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.29 G 0.01 C Shift Assignments>> C :: 176.753 CA :: 57.702 CB :: 33.158 CG :: 25.619 CD :: 28.980 CE :: 42.233 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 :: 8.775 HA :: 4.117 HB2 :: 1.945 HB3 :: 1.753 HG2 :: 1.553 HG3 :: 1.398 HD2 :: 1.623 HD3 :: 1.623 HE2 :: 2.968 HE3 :: 2.968 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 :: 119.439 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.25 N 0.13 K 0.08 R 0.04 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 173.593 CA :: 51.829 CB :: 41.909 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 :: 7.593 HA :: 5.528 HB2 :: 2.558 HB3 :: 2.997 HD21 :: 6.985 HD22 :: 7.678 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 :: 110.841 ND2 :: 115.372 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.058 CA :: 60.461 CB :: 69.860 CG2 :: 19.083 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 :: 8.575 HA :: 4.559 HB :: 3.896 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 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 :: 112.087 Ave N Shift Values>> N :: 115.42(4.75) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 E 0.45 HN Overlap>> 1.I99 1.I99 C Shift Assignments>> C :: 175.830 CA :: 55.005 CB :: 32.640 CG :: 37.008 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 :: 8.097 HA :: 5.316 HB2 :: 1.872 HB3 :: 1.824 HG2 :: 2.247 HG3 :: 2.057 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 :: 123.416 Ave N Shift Values>> N :: 120.67(3.48) 1.M64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.44 C Shift Assignments>> C :: 173.138 CA :: 54.407 CB :: 35.471 CG :: 31.408 CE :: 18.334 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 :: 9.073 HA :: 4.682 HB2 :: 1.831 HB3 :: 1.765 HG2 :: 2.199 HG3 :: 2.140 HE1 :: 1.740 HE2 :: 1.740 HE3 :: 1.740 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 :: 119.763 Ave N Shift Values>> N :: 120.09(3.57) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 G 0.06 R 0.06 A 0.02 C Shift Assignments>> C :: 176.818 CA :: 54.096 CB :: 43.012 CG :: 27.144 CD1 :: 24.983 CD2 :: 23.673 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 :: 8.790 HA :: 4.961 HB2 :: 1.555 HB3 :: 1.335 HG :: 1.293 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 HD21 :: 0.618 HD22 :: 0.618 HD23 :: 0.618 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 :: 126.036 Ave N Shift Values>> N :: 121.86(3.9) 1.I66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 176.129 CA :: 60.473 CB :: 39.495 CG1 :: 26.271 CG2 :: 12.359(S) CD1 :: 15.307 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 :: 9.213 HA :: 4.037 HB :: 1.461 HG12 :: 0.758 HG13 :: 0.967 HG21 :: 0.397 HG22 :: 0.397 HG23 :: 0.397 HD11 :: -0.103 HD12 :: -0.103 HD13 :: -0.103 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 :: 127.295 Ave N Shift Values>> N :: 121.46(4.28) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.34 C Shift Assignments>> C :: 176.571 CA :: 52.754 CB :: 17.200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.317 HA :: 3.885 HB1 :: 1.382 HB2 :: 1.382 HB3 :: 1.382 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.797 Ave N Shift Values>> N :: 123.23(3.54) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 173.801 CA :: 44.922 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.120 HA2 :: 3.860 HA3 :: 3.281 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.194 Ave N Shift Values>> N :: 109.67(3.87) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.41 G 0.02 HN Overlap>> 1.D53 1.D53 C Shift Assignments>> C :: 173.788 CA :: 56.485 CB :: 42.502 CD1 :: 131.956 CD2 :: 131.956 CE1 :: 131.193 CE2 :: 131.193 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 :: 8.062 HA :: 4.761 HB2 :: 2.914 HB3 :: 2.635 HD1 :: 7.260 HD2 :: 7.260 HE1 :: 7.302 HE2 :: 7.302 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 :: 120.266 Ave N Shift Values>> N :: 120.45(4.18) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 G 0.1 R 0.04 A 0.01 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 176.558 CA :: 54.593 CB :: 43.289 CG :: 27.151 CD1 :: 24.294 CD2 :: 24.661 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 :: 8.484 HA :: 4.833 HB2 :: 1.449 HB3 :: 1.449 HG :: 1.409 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 HD21 :: 0.757 HD22 :: 0.757 HD23 :: 0.757 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 :: 122.393 Ave N Shift Values>> N :: 121.86(3.9) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.95 G 0.04 C Shift Assignments>> C :: 174.243 CA :: 57.205 CB :: 42.547 CD1 :: 132.835 CD2 :: 132.835 CE1 :: 118.185 CE2 :: 118.185 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 :: 9.610 HA :: 4.815 HB2 :: 2.675 HB3 :: 2.453 HD1 :: 6.826 HD2 :: 6.826 HE1 :: 6.770 HE2 :: 6.770 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 :: 126.356 Ave N Shift Values>> N :: 120.52(4.2) 1.V72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.842 CA :: 61.367 CB :: 33.723 CG1 :: 21.464 CG2 :: 20.483 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 :: 9.075 HA :: 4.204 HB :: 0.855(S) HG11 :: 0.698 HG12 :: 0.698 HG13 :: 0.698 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 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 :: 120.347 Ave N Shift Values>> N :: 121.14(4.54) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 M 0.02 C Shift Assignments>> C :: 174.764 CA :: 50.470 CB :: 19.763 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.649 HA :: 4.721 HB1 :: 0.957 HB2 :: 0.957 HB3 :: 0.957 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.938 Ave N Shift Values>> N :: 123.23(3.54) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.23 N 0.15 K 0.08 F 0.05 Y 0.03 R 0.02 C Shift Assignments>> C :: 177.273 CA :: 52.588 CB :: 41.498 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 :: 9.319 HA :: 4.866 HB2 :: 3.447 HB3 :: 2.719 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 :: 123.976 Ave N Shift Values>> N :: 120.65(3.86) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 A 0.01 C Shift Assignments>> C :: 177.338 CA :: 55.863 CB :: 40.793 CG :: 28.157 CD1 :: 25.571 CD2 :: 24.089 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 :: 8.508 HA :: 4.586 HB2 :: 1.819 HB3 :: 1.796 HG :: 1.561 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: 0.822 HD22 :: 0.822 HD23 :: 0.822 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 :: 124.850 Ave N Shift Values>> N :: 121.86(3.9) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.68 I 0.12 M 0.11 K 0.04 Q 0.02 HN Overlap>> 1.I96 1.I96 C Shift Assignments>> C :: 177.820 CA :: 58.590 CB :: 30.590 CG :: 36.718 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 :: 8.472 HA :: 4.355 HB2 :: 2.237 HB3 :: 2.160 HG2 :: 2.149 HG3 :: 2.385 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 :: 120.773 Ave N Shift Values>> N :: 120.67(3.48) 1.N77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> N 0.4 D 0.3 L 0.1 F 0.08 Y 0.07 C Shift Assignments>> C :: 173.697 CA :: 53.320 CB :: 39.729 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 :: 8.391 HA :: 4.744 HB2 :: 2.810 HB3 :: 2.433 HD21 :: 9.260(S) HD22 :: 7.293 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 :: 114.955 ND2 :: 120.151(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.23 I 0.02 HN Overlap>> 1.Y30 1.E52 1.Y30 1.E52 C Shift Assignments>> C :: 176.298 CA :: 55.257 CB :: 27.609 CG :: 33.237 CE :: 17.630 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 :: 7.997 HA :: 4.512 HB2 :: 2.485 HB3 :: 2.416 HG2 :: 2.813 HG3 :: 2.510 HE1 :: 2.141 HE2 :: 2.141 HE3 :: 2.141 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 :: 118.972 Ave N Shift Values>> N :: 120.09(3.57) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 A 0.05 I 0.05 L 0.01 C Shift Assignments>> C :: 173.398 CA :: 59.650 CB :: 37.510 CG1 :: 22.123 CG2 :: 20.125 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 :: 8.346 HA :: 5.490 HB :: 2.061 HG11 :: 0.991 HG12 :: 0.991 HG13 :: 0.991 HG21 :: 0.981 HG22 :: 0.981 HG23 :: 0.981 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 :: 114.189 Ave N Shift Values>> N :: 121.14(4.54) 1.Q80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.84 Q 0.13 E 0.02 HN Overlap>> 1.Y33 1.Y33 C Shift Assignments>> C :: 175.414 CA :: 53.539 CB :: 33.090 CG :: 33.661 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 :: 9.711 HA :: 5.949(S) HB2 :: 2.129 HB3 :: 1.980 HG2 :: 2.247 HG3 :: 2.180 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 :: 120.299 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.762 CA :: 56.155 CB :: 40.154 CD1 :: 134.160 CD2 :: 134.160 CE1 :: 117.138 CE2 :: 117.138 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 :: 8.660 HA :: 5.354 HB2 :: 3.261 HB3 :: 2.997 HD1 :: 6.805 HD2 :: 6.805 HE1 :: 6.682 HE2 :: 6.682 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 :: 117.881 Ave N Shift Values>> N :: 120.52(4.2) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 K 0.2 G 0.06 C Shift Assignments>> C :: 177.052 CA :: 56.644 CB :: 30.419 CG :: 27.734 CD :: 43.043 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 :: 9.147 HA :: 3.668 HB2 :: 1.703 HB3 :: 1.600 HG2 :: 1.261 HG3 :: 1.132 HD2 :: 2.631 HD3 :: 2.631 HE :: 6.626 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 :: 122.583 NE :: 82.623 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.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.12 K 0.07 C Shift Assignments>> C :: 176.740 CA :: 58.757 CB :: 30.756 CG :: 27.256 CD :: 43.423 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 :: 8.428 HA :: 3.923 HB2 :: 1.688 HB3 :: 1.386 HG2 :: 1.549 HG3 :: 1.549 HD2 :: 3.019 HD3 :: 3.019 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 :: 125.238 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.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.11 Y 0.11 F 0.09 E 0.03 L 0.03 M 0.02 C Shift Assignments>> C :: 174.556 CA :: 53.766 CB :: 38.052 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 :: 8.930 HA :: 4.529 HB2 :: 2.969 HB3 :: 2.912 HD21 :: 6.962 HD22 :: 7.696 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 :: 116.374 ND2 :: 112.409 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.2 Q 0.09 K 0.06 I 0.04 C Shift Assignments>> C :: 175.583 CA :: 57.747 CB :: 30.770 CG :: 36.059 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 :: 7.773 HA :: 4.202 HB2 :: 2.049 HB3 :: 1.675 HG2 :: 2.065 HG3 :: 2.065 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 :: 119.929 Ave N Shift Values>> N :: 120.67(3.48) 1.H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 W 0.48 C Shift Assignments>> C :: 175.648 CA :: 56.087 CB :: 29.857 CD2 :: 119.431 CE1 :: 138.059 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 :: 8.478 HA :: 4.620 HB2 :: 3.083 HB3 :: 2.935 HD2 :: 6.950 HE1 :: 7.854 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 :: 120.368 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.15 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 173.918 CA :: 44.946 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.237 HA2 :: 4.182 HA3 :: 3.987 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.418 Ave N Shift Values>> N :: 109.67(3.87) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.11 K 0.08 C Shift Assignments>> C :: 175.700 CA :: 56.782 CB :: 31.090 CG :: 26.970 CD :: 43.369 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 :: 8.760 HA :: 4.231 HB2 :: 2.009 HB3 :: 1.920 HG2 :: 1.612 HG3 :: 1.620 HD2 :: 3.160 HD3 :: 3.160 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 :: 122.179 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.R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 G 0.18 K 0.14 C Shift Assignments>> C :: 175.843 CA :: 55.055 CB :: 31.477 CG :: 28.291 CD :: 43.680 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 :: 8.804 HA :: 5.379 HB2 :: 1.855 HB3 :: 1.699 HG2 :: 1.674 HG3 :: 1.540 HD2 :: 3.191 HD3 :: 3.010 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 :: 125.887 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.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 G 0.25 K 0.1 C Shift Assignments>> C :: 175.115 CA :: 54.563 CB :: 33.512 CG :: 27.219 CD :: 43.607 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 :: 8.822 HA :: 4.820 HB2 :: 2.120 HB3 :: 1.882 HG2 :: 1.780 HG3 :: 1.780 HD2 :: 3.037 HD3 :: 3.348 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 :: 123.152 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.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.24 HN Overlap>> 1.E45 1.E45 C Shift Assignments>> C :: 175.427 CA :: 57.773 CB :: 33.815 CG :: 25.610 CD :: 29.093 CE :: 41.916 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 :: 9.192 HA :: 4.817 HB2 :: 2.261 HB3 :: 1.791 HG2 :: 1.772 HG3 :: 1.820 HD2 :: 1.901 HD3 :: 1.864 HE2 :: 3.129 HE3 :: 3.104 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 :: 122.798 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 G 0.16 A 0.01 C Shift Assignments>> C :: 174.868 CA :: 59.881 CB :: 42.578 CG1 :: 26.154 CG2 :: 19.488 CD1 :: 14.056 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 :: 7.874 HA :: 5.859 HB :: 2.167 HG12 :: 1.610 HG13 :: 1.069 HG21 :: 1.438 HG22 :: 1.438 HG23 :: 1.438 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 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 :: 114.934 Ave N Shift Values>> N :: 121.46(4.28) 1.K93 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.95 R 0.02 A 0.01 C Shift Assignments>> C :: 171.682 CA :: 55.445 CB :: 35.828 CG :: 24.302 CD :: 29.220 CE :: 40.856 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 :: 9.224 HA :: 4.535 HB2 :: 1.225 HB3 :: 1.164 HG2 :: 0.245(S) HG3 :: 0.513 HD2 :: 0.076(S) HD3 :: 0.635(S) HE2 :: 1.284(S) HE3 :: 0.567(A) 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 :: 118.523 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) (HE3 > HB3 : 0.9974) (HE3 > HD3 : 0.9989) 1.R94 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.71 K 0.23 G 0.03 C Shift Assignments>> C :: 175.362 CA :: 53.642 CB :: 30.388 CG :: 27.693 CD :: 42.464 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 :: 7.966 HA :: 4.383 HB2 :: 0.425(S) HB3 :: -1.064(A) HG2 :: -0.319(S) HG3 :: 0.358(S) HD2 :: 1.644(S) HD3 :: 1.737(S) 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 :: 124.609 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.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.12 D 0.02 R 0.02 C Shift Assignments>> C :: 174.204 CA :: 52.131 CB :: 44.802 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 :: 9.165 HA :: 4.925 HB2 :: 2.430 HB3 :: 2.002 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 :: 127.121 Ave N Shift Values>> N :: 120.65(3.86) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E76 1.E76 C Shift Assignments>> C :: 176.116 CA :: 60.441 CB :: 38.992 CG1 :: 27.514 CG2 :: 17.402 CD1 :: 12.814 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 :: 8.453 HA :: 3.979 HB :: 1.524 HG12 :: 1.094 HG13 :: 0.842 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 HD11 :: 0.561 HD12 :: 0.561 HD13 :: 0.561 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 :: 120.764 Ave N Shift Values>> N :: 121.46(4.28) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.154 CA :: 60.897 CB :: 38.874 CG1 :: 27.622 CG2 :: 17.325 CD1 :: 13.151 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 :: 8.112 HA :: 4.012 HB :: 1.602 HG12 :: 1.254 HG13 :: 0.901 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 HD11 :: 0.660 HD12 :: 0.660 HD13 :: 0.660 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 :: 125.863 Ave N Shift Values>> N :: 121.46(4.28) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.24 N 0.11 K 0.11 F 0.08 Y 0.05 R 0.02 C Shift Assignments>> C :: 175.362 CA :: 53.757 CB :: 41.338 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 :: 8.341 HA :: 4.536 HB2 :: 2.538 HB3 :: 2.410 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 :: 125.615 Ave N Shift Values>> N :: 120.65(3.86) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 HN Overlap>> 1.E63 1.E63 C Shift Assignments>> C :: 174.387 CA :: 58.643 CB :: 38.540 CG1 :: 26.820 CG2 :: 17.061 CD1 :: 12.758 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 :: 8.135 HA :: 4.350 HB :: 1.761 HG12 :: 1.053 HG13 :: 1.400 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 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 :: 123.519 Ave N Shift Values>> N :: 121.46(4.28) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.118 CB :: 32.191 CG :: 27.422 CD :: 51.026 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 :: 4.324 HB2 :: 2.249 HB3 :: 1.812 HG2 :: 1.968 HG3 :: 1.903 HD2 :: 3.803 HD3 :: 3.599 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.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 G 0.01 C Shift Assignments>> C :: 176.636 CA :: 56.131 CB :: 33.119 CG :: 24.756 CD :: 29.029 CE :: 42.233 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 :: 8.525 HA :: 4.229 HB2 :: 1.767 HB3 :: 1.700 HG2 :: 1.385 HG3 :: 1.433 HD2 :: 1.634 HD3 :: 1.634 HE2 :: 2.982 HE3 :: 2.982 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 :: 122.511 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 C Shift Assignments>> C :: 177.000 CA :: 56.329 CB :: 33.038 CG :: 24.698 CD :: 28.958 CE :: 42.091 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 :: 8.500 HA :: 4.271 HB2 :: 1.768 HB3 :: 1.701 HG2 :: 1.420 HG3 :: 1.420 HD2 :: 1.637 HD3 :: 1.637 HE2 :: 2.952 HE3 :: 2.952 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 :: 123.449 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 173.892 CA :: 45.190 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.438 HA2 :: 3.851 HA3 :: 3.851 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.828 Ave N Shift Values>> N :: 109.67(3.87) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.311 CA :: 63.506 CB :: 32.986 CG1 :: 21.546 CG2 :: 19.955 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 :: 7.706 HA :: 4.015 HB :: 2.070 HG11 :: 0.872 HG12 :: 0.872 HG13 :: 0.872 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 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 :: 122.836 Ave N Shift Values>> N :: 121.14(4.54) 1.S105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.ATP1 Overall Status: Residue type ATP not supported. ########################################################################### Overall Results: #Consistent: 99 #Clerical: 0 #Suspicious: 9 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 97 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 108 #Suspicious: 2 C Shift Results: #Consistent: 449 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 679 #Duplicate: 0 #Unknown: 0 #Suspicious: 24 #Anomalous: 2 N Shift Results: #Consistent: 104 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K21 Typing: Suspicious 1.K21 CG = 29.215(S), Expected = 24.89, Std = 1.1300, ChiSquare = 1.2949e-04 1.K21 CD = 24.886(S), Expected = 28.96, Std = 1.0800, ChiSquare = 1.6180e-04 1.Y34 HD1 = 5.903(S), Expected = 6.93, Std = 0.3000, ChiSquare = 6.1858e-04 1.Y34 HD2 = 5.903(S), Expected = 6.93, Std = 0.3000, ChiSquare = 6.1858e-04 1.Y34 HE1 = 5.753(S), Expected = 6.70, Std = 0.2300, ChiSquare = 3.8319e-05 1.Y34 HE2 = 5.753(S), Expected = 6.71, Std = 0.2300, ChiSquare = 3.1704e-05 1.Y34 SRO Rule Break>> HD1 > HA : 1 1.Y34 SRO Rule Break>> HD2 > HA : 1 1.Y34 SRO Rule Break>> HE1 > HA : 1 1.Y34 SRO Rule Break>> HE2 > HA : 0.999400119976005 1.E35 HB3 = 0.976(S), Expected = 1.99, Std = 0.2300, ChiSquare = 1.0400e-05 1.E35 HG3 = 1.264(S), Expected = 2.25, Std = 0.2200, ChiSquare = 7.4010e-06 1.W41 HB2 = 1.592(S), Expected = 3.19, Std = 0.3500, ChiSquare = 4.9780e-06 1.L51 HB2 = 0.202(S), Expected = 1.61, Std = 0.3400, ChiSquare = 3.4553e-05 1.L51 HB3 = -1.286(S), Expected = 1.52, Std = 0.3600, ChiSquare = 6.4692e-15 1.L51 HD21 = -0.509(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9337e-05 1.L51 HD22 = -0.509(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9337e-05 1.L51 HD23 = -0.509(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9337e-05 1.I66 CG2 = 12.359(S), Expected = 17.53, Std = 1.3600, ChiSquare = 1.4341e-04 1.V72 HB = 0.855(S), Expected = 1.98, Std = 0.3200, ChiSquare = 4.3872e-04 1.N77 HD21 = 9.260(S), Expected = 7.35, Std = 0.4800, ChiSquare = 6.9157e-05 1.N77 ND2 = 120.151(S), Expected = 112.75, Std = 2.2300, ChiSquare = 9.0394e-04 1.Q80 HA = 5.949(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.3568e-04 1.K93 HG2 = 0.245(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.5121e-05 1.K93 HD2 = 0.076(S), Expected = 1.61, Std = 0.2200, ChiSquare = 3.1085e-12 1.K93 HD3 = 0.635(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.1526e-05 1.K93 HE2 = 1.284(S), Expected = 2.92, Std = 0.1900, ChiSquare = 7.2726e-18 1.K93 HE3 = 0.567(A), Expected = 2.91, Std = 0.2000, ChiSquare = 1.0679e-31 1.K93 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.K93 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 1.K93 SRO Rule Break>> HE3 > HD3 : 0.998948106591865 1.R94 HB2 = 0.425(S), Expected = 1.79, Std = 0.2700, ChiSquare = 4.2914e-07 1.R94 HB3 = -1.064(A), Expected = 1.76, Std = 0.2800, ChiSquare = 6.3899e-24 1.R94 HG2 = -0.319(S), Expected = 1.57, Std = 0.2700, ChiSquare = 2.6282e-12 1.R94 HG3 = 0.358(S), Expected = 1.54, Std = 0.2900, ChiSquare = 4.5844e-05 1.R94 HD2 = 1.644(S), Expected = 3.12, Std = 0.2400, ChiSquare = 7.7483e-10 1.R94 HD3 = 1.737(S), Expected = 3.10, Std = 0.2600, ChiSquare = 1.5858e-07