Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.73 A 0.25 I 0.01 C Shift Assignments>> CA :: 55.300 CB :: 33.840 CG :: 30.975 CE :: 16.841 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 3.977 HB2 :: 2.092 HB3 :: 2.092 HG2 :: 2.580 HG3 :: 2.580 HE1 :: 2.111 HE2 :: 2.111 HE3 :: 2.111 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.69 R 0.24 M 0.05 G 0.01 C Shift Assignments>> C :: 176.370 CA :: 56.267 CB :: 33.305 CG :: 24.785 CD :: 29.062 CE :: 41.883 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> HA :: 4.423 HB2 :: 1.783 HB3 :: 1.783 HG2 :: 1.479 HG3 :: 1.479 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.976 HE3 :: 2.976 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.31 C Shift Assignments>> C :: 177.696 CA :: 55.283 CB :: 32.691 CG :: 32.473 CE :: 17.536 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.773 HA :: 4.592 HB2 :: 2.374 HB3 :: 2.190 HG2 :: 2.798 HG3 :: 2.691 HE1 :: 2.221 HE2 :: 2.221 HE3 :: 2.221 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.331 Ave N Shift Values>> N :: 120.1(3.88) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.11 C Shift Assignments>> C :: 178.278 CA :: 58.077 CB :: 41.559 CG :: 27.367 CD1 :: 25.065 CD2 :: 24.731 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.275 HA :: 4.093 HB2 :: 1.900 HB3 :: 1.618 HG :: 1.798 HD11 :: 1.058 HD12 :: 1.058 HD13 :: 1.058 HD21 :: 0.995 HD22 :: 0.995 HD23 :: 0.995 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.064 Ave N Shift Values>> N :: 121.98(4.07) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.34 G 0.02 M 0.02 C Shift Assignments>> C :: 177.663 CA :: 60.744 CB :: 32.311 CG :: 25.417 CD :: 29.844 CE :: 42.137 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.009 HA :: 4.005 HB2 :: 1.936 HB3 :: 2.215 HG2 :: 1.655 HG3 :: 1.655 HD2 :: 1.982 HD3 :: 1.907 HE2 :: 3.250 HE3 :: 3.168 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.559 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.36 K 0.07 M 0.02 Q 0.01 HN Overlap>> 1.K32 1.K32 C Shift Assignments>> C :: 179.280 CA :: 58.770 CB :: 29.199 CG :: 37.024 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.544 HA :: 3.990 HB2 :: 2.177 HB3 :: 2.019 HG2 :: 2.321 HG3 :: 2.321 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.756 Ave N Shift Values>> N :: 120.68(3.68) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.25 M 0.03 G 0.01 C Shift Assignments>> C :: 177.582 CA :: 59.039 CB :: 32.649 CG :: 24.899 CD :: 29.216 CE :: 41.916 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.944 HA :: 3.947 HB2 :: 1.812 HB3 :: 1.812 HG2 :: 1.235 HG3 :: 1.420 HD2 :: 1.527 HD3 :: 1.621 HE2 :: 2.805 HE3 :: 2.805 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.077 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.32 I 0.04 V 0.02 C Shift Assignments>> C :: 177.922 CA :: 55.644 CB :: 18.861 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.909 HA :: 3.590 HB1 :: 1.342 HB2 :: 1.342 HB3 :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.037 Ave N Shift Values>> N :: 123.23(3.7) 1.G9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 176.612 CA :: 45.985 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.856 HA2 :: 2.979 HA3 :: 1.912(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.923 Ave N Shift Values>> N :: 109.91(4.29) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.44 I 0.02 C Shift Assignments>> C :: 181.140 CA :: 54.606 CB :: 17.826 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.666 HA :: 4.090 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.862 Ave N Shift Values>> N :: 123.23(3.7) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.17 G 0.02 K 0.01 HN Overlap>> 1.K31 1.E59 1.K31 1.E59 C Shift Assignments>> C :: 179.005 CA :: 57.455 CB :: 42.331 CG :: 26.701 CD1 :: 26.272 CD2 :: 24.340 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.602 HA :: 3.974 HB2 :: 1.811 HB3 :: 1.061 HG :: 1.786 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.841 Ave N Shift Values>> N :: 121.98(4.07) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.02 V 0.02 L 0.01 C Shift Assignments>> C :: 179.668 CA :: 55.307 CB :: 19.227 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.192 HA :: 3.706 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.100 Ave N Shift Values>> N :: 123.23(3.7) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> C :: 176.240 CA :: 47.080 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.737 HA2 :: 3.907 HA3 :: 3.907 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.980 Ave N Shift Values>> N :: 109.91(4.29) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 K 0.21 Q 0.21 I 0.11 M 0.06 R 0.01 C Shift Assignments>> C :: 179.474 CA :: 59.239 CB :: 29.523 CG :: 34.989 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.048 HA :: 4.135 HB2 :: 2.336 HB3 :: 2.040 HG2 :: 2.536 HG3 :: 2.387 HE21 :: 6.509 HE22 :: 7.372 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.578 NE2 :: 109.046 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L46 1.L46 C Shift Assignments>> C :: 176.289 CA :: 65.994 CB :: 38.255 CG1 :: 28.751 CG2 :: 16.430 CD1 :: 13.988 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.402 HA :: 3.329 HB :: 1.850 HG12 :: 1.929 HG13 :: 0.682 HG21 :: 0.652 HG22 :: 0.652 HG23 :: 0.652 HD11 :: 0.586 HD12 :: 0.586 HD13 :: 0.586 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.107 Ave N Shift Values>> N :: 121.6(4.72) 1.W16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.938 CA :: 62.900 CB :: 29.536 CD1 :: 125.495 CE3 :: 120.683 CZ2 :: 114.450 CZ3 :: 122.026 CH2 :: 124.782 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.672 HA :: 3.708 HB2 :: 3.624 HB3 :: 3.228 HD1 :: 6.833 HE1 :: 10.672 HE3 :: 7.386 HZ2 :: 7.418 HZ3 :: 7.158 HH2 :: 7.149 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.579 NE1 :: 129.865 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.27 K 0.11 Q 0.05 M 0.04 C Shift Assignments>> C :: 178.682 CA :: 59.311 CB :: 29.531 CG :: 36.208 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.456 HA :: 3.859 HB2 :: 2.139 HB3 :: 2.238 HG2 :: 2.533 HG3 :: 2.502 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.147 Ave N Shift Values>> N :: 120.68(3.68) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.46 I 0.01 C Shift Assignments>> C :: 177.938 CA :: 54.020 CB :: 17.642 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.564 HA :: 4.028 HB1 :: 1.286 HB2 :: 1.286 HB3 :: 1.286 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.660 Ave N Shift Values>> N :: 123.23(3.7) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 R 0.23 G 0.19 A 0.02 C Shift Assignments>> C :: 179.523 CA :: 54.910 CB :: 43.627 CG :: 26.084 CD1 :: 27.315 CD2 :: 23.513 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.268 HA :: 3.900 HB2 :: 1.642 HB3 :: 1.020 HG :: 1.630 HD11 :: 0.479 HD12 :: 0.479 HD13 :: 0.479 HD21 :: 0.627 HD22 :: 0.627 HD23 :: 0.627 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 113.208 Ave N Shift Values>> N :: 121.98(4.07) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 F 0.17 D 0.14 E 0.14 M 0.04 I 0.03 L 0.03 K 0.01 C Shift Assignments>> C :: 175.496 CA :: 54.944 CB :: 37.909 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.598 HA :: 3.965 HB2 :: 2.535 HB3 :: 1.827 HD21 :: 7.414 HD22 :: 6.451 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.555 ND2 :: 113.239 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.235 CA :: 45.339 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.889 HA2 :: 4.152 HA3 :: 3.664 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.447 Ave N Shift Values>> N :: 109.91(4.29) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.947 CA :: 60.326 CB :: 72.366 CG2 :: 20.709 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.865 HA :: 4.930 HB :: 4.319 HG1 :: 5.194 HG21 :: 1.085 HG22 :: 1.085 HG23 :: 1.085 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.539 Ave N Shift Values>> N :: 115.7(5.05) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 K 0.21 Q 0.08 I 0.07 M 0.04 C Shift Assignments>> C :: 175.335 CA :: 55.340 CB :: 28.859 CG :: 36.359 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.607 HA :: 4.607 HB2 :: 2.486 HB3 :: 1.934 HG2 :: 2.386 HG3 :: 2.271 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.263 Ave N Shift Values>> N :: 120.68(3.68) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.07 F 0.01 C Shift Assignments>> C :: 172.553 CA :: 44.988 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.981 HA2 :: 4.362 HA3 :: 3.678 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.434 Ave N Shift Values>> N :: 109.91(4.29) 1.L25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 G 0.09 L 0.08 C Shift Assignments>> C :: 176.192 CA :: 53.101 CB :: 48.801(S) CG :: 26.385 CD1 :: 25.781 CD2 :: 22.655 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.731 HA :: 4.820 HB2 :: 1.475 HB3 :: 1.244 HG :: 1.502 HD11 :: 0.583 HD12 :: 0.583 HD13 :: 0.583 HD21 :: 0.951 HD22 :: 0.951 HD23 :: 0.951 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.176 Ave N Shift Values>> N :: 121.98(4.07) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.353 CA :: 60.155 CB :: 71.730 CG2 :: 22.340 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.756 HA :: 5.325 HB :: 4.792 HG1 :: 5.766 HG21 :: 1.425 HG22 :: 1.425 HG23 :: 1.425 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.608 Ave N Shift Values>> N :: 115.7(5.05) 1.Q27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.56 K 0.34 M 0.04 Q 0.03 C Shift Assignments>> C :: 177.000 CA :: 59.449 CB :: 28.003 CG :: 30.962 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.475 HA :: 3.314 HB2 :: 2.020 HB3 :: 1.722 HG2 :: 1.589 HG3 :: 0.455(S) HE21 :: 6.232 HE22 :: 6.569 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.559 NE2 :: 107.626 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.27 M 0.01 G 0.01 C Shift Assignments>> C :: 179.765 CA :: 60.430 CB :: 32.434 CG :: 25.407 CD :: 29.353 CE :: 41.930 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.808 HA :: 3.760 HB2 :: 1.872 HB3 :: 1.727 HG2 :: 1.374 HG3 :: 1.532 HD2 :: 1.691 HD3 :: 1.691 HE2 :: 2.982 HE3 :: 2.982 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.382 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 Q 0.27 K 0.24 M 0.08 I 0.06 R 0.02 C Shift Assignments>> C :: 179.976 CA :: 58.777 CB :: 29.605 CG :: 34.587 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.737 HA :: 3.980 HB2 :: 2.002 HB3 :: 2.543 HG2 :: 2.467 HG3 :: 2.467 HE21 :: 6.810 HE22 :: 7.509 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.109 NE2 :: 111.039 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.329 CA :: 65.829 CB :: 38.267 CG1 :: 31.101 CG2 :: 18.898 CD1 :: 14.051 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.063 HA :: 3.376 HB :: 1.828 HG12 :: 0.539 HG13 :: 1.894 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.240 Ave N Shift Values>> N :: 121.6(4.72) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.22 M 0.01 HN Overlap>> 1.L11 1.L11 C Shift Assignments>> C :: 177.938 CA :: 60.859 CB :: 31.238 CG :: 25.422 CD :: 29.297 CE :: 41.259 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.558 HA :: 3.671 HB2 :: 2.047 HB3 :: 1.612 HG2 :: 1.058 HG3 :: 1.455 HD2 :: 1.470 HD3 :: 1.399 HE2 :: 2.378 HE3 :: 2.823 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.933 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.28 M 0.03 G 0.01 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 179.070 CA :: 59.111 CB :: 32.344 CG :: 24.734 CD :: 29.126 CE :: 41.944 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.613 HA :: 4.039 HB2 :: 1.873 HB3 :: 1.873 HG2 :: 1.498 HG3 :: 1.407 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 2.978 HE3 :: 2.978 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.761 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.46 I 0.01 C Shift Assignments>> C :: 179.199 CA :: 54.653 CB :: 18.889 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.962 HA :: 4.177 HB1 :: 1.486 HB2 :: 1.486 HB3 :: 1.486 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.156 Ave N Shift Values>> N :: 123.23(3.7) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.138 CA :: 61.503 CB :: 70.675 CG2 :: 22.793 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.805 HA :: 4.327 HB :: 4.204 HG1 :: 4.111 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 104.712 Ave N Shift Values>> N :: 115.7(5.05) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.42 L 0.03 G 0.02 M 0.01 C Shift Assignments>> C :: 175.868 CA :: 57.393 CB :: 29.175 CG :: 25.061 CD :: 29.156 CE :: 42.228 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.611 HA :: 3.874 HB2 :: 2.083 HB3 :: 1.951 HG2 :: 1.346 HG3 :: 1.346 HD2 :: 1.645 HD3 :: 1.645 HE2 :: 2.993 HE3 :: 2.993 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 G 0.04 A 0.03 R 0.03 C Shift Assignments>> C :: 176.305 CA :: 54.314 CB :: 42.602 CG :: 26.152 CD1 :: 24.816 CD2 :: 23.516 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.912 HA :: 4.413 HB2 :: 1.634 HB3 :: 1.249 HG :: 1.784 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.557 Ave N Shift Values>> N :: 121.98(4.07) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.24 M 0.03 G 0.01 C Shift Assignments>> C :: 177.421 CA :: 57.057 CB :: 33.694 CG :: 24.765 CD :: 28.855 CE :: 41.955 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.172 HA :: 4.198 HB2 :: 1.727 HB3 :: 1.832 HG2 :: 1.383 HG3 :: 1.471 HD2 :: 1.651 HD3 :: 1.651 HE2 :: 2.986 HE3 :: 2.986 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.655 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 L 0.03 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> C :: 178.342 CA :: 51.277 CB :: 20.447 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.479 HA :: 4.655 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.247 Ave N Shift Values>> N :: 123.23(3.7) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.48 I 0.16 D 0.12 L 0.11 K 0.05 N 0.03 E 0.02 C Shift Assignments>> C :: 178.569 CA :: 57.784 CB :: 39.733 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.517 HB2 :: 2.750 HB3 :: 2.863 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.K40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 R 0.41 M 0.1 G 0.01 C Shift Assignments>> C :: 176.159 CA :: 59.450 CB :: 30.952 CG :: 22.995 CD :: 29.423 CE :: 41.829 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.869 HA :: 3.741 HB2 :: 0.641(S) HB3 :: 1.316 HG2 :: 1.036 HG3 :: 0.793 HD2 :: 1.430 HD3 :: 1.276 HE2 :: 2.807 HE3 :: 2.807 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.511 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.22 F 0.22 K 0.19 N 0.05 R 0.03 I 0.02 C Shift Assignments>> C :: 177.033 CA :: 56.219 CB :: 40.859 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.710 HA :: 4.338 HB2 :: 2.791 HB3 :: 2.728 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.147 Ave N Shift Values>> N :: 120.73(4.2) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.626 CA :: 61.331 CB :: 38.782 CD1 :: 131.323 CD2 :: 131.323 CE1 :: 130.607 CE2 :: 130.607 CZ :: 127.573 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.240 HA :: 3.871 HB2 :: 3.008 HB3 :: 2.796 HD1 :: 6.202 HD2 :: 6.202 HE1 :: 6.743 HE2 :: 6.743 HZ :: 6.693 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.664 Ave N Shift Values>> N :: 120.69(4.18) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.000 CA :: 63.583 CB :: 39.129 CD1 :: 131.653 CD2 :: 131.653 CE1 :: 131.659 CE2 :: 131.659 CZ :: 130.670 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.536 HA :: 3.826 HB2 :: 2.891 HB3 :: 3.175 HD1 :: 7.446 HD2 :: 7.446 HE1 :: 7.403 HE2 :: 7.403 HZ :: 7.513 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.386 Ave N Shift Values>> N :: 120.69(4.18) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.18 G 0.06 C Shift Assignments>> C :: 178.391 CA :: 58.226 CB :: 42.751 CG :: 26.798 CD1 :: 24.362 CD2 :: 25.752 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.653 HA :: 4.498 HB2 :: 1.871 HB3 :: 1.871 HG :: 1.578 HD11 :: 1.089 HD12 :: 1.089 HD13 :: 1.089 HD21 :: 0.958 HD22 :: 0.958 HD23 :: 0.958 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.528 Ave N Shift Values>> N :: 121.98(4.07) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 175.302 CA :: 46.721 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.562 HA2 :: 3.848 HA3 :: 3.150 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 100.745 Ave N Shift Values>> N :: 109.91(4.29) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 G 0.01 HN Overlap>> 1.I15 1.I15 C Shift Assignments>> C :: 178.650 CA :: 57.413 CB :: 41.586 CG :: 26.091 CD1 :: 23.331 CD2 :: 25.923 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.456 HA :: 3.905 HB2 :: 0.672 HB3 :: 1.499 HG :: 1.470 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 HD21 :: 0.699 HD22 :: 0.699 HD23 :: 0.699 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.169 Ave N Shift Values>> N :: 121.98(4.07) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 G 0.27 N 0.18 D 0.06 L 0.02 M 0.01 H 0.01 C Shift Assignments>> C :: 174.365 CA :: 48.629 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.848 HA2 :: 3.809 HA3 :: 4.623 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.661 Ave N Shift Values>> N :: 109.91(4.29) 1.W48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.98 H 0.01 C Shift Assignments>> C :: 177.566 CA :: 60.481 CB :: 27.822 CD1 :: 126.938 CE3 :: 120.244 CZ2 :: 114.423 CZ3 :: 121.356 CH2 :: 124.104 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.134 HA :: 3.910 HB2 :: 3.529 HB3 :: 3.125 HD1 :: 6.671 HE1 :: 9.789 HE3 :: 7.497 HZ2 :: 7.391 HZ3 :: 6.819 HH2 :: 7.045 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.245 NE1 :: 130.623 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 G 0.23 R 0.14 C Shift Assignments>> C :: 180.299 CA :: 57.721 CB :: 43.836 CG :: 26.780 CD1 :: 24.024 CD2 :: 25.769 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.099 HA :: 4.279 HB2 :: 2.076 HB3 :: 1.448 HG :: 2.023 HD11 :: 1.094 HD12 :: 1.094 HD13 :: 1.094 HD21 :: 0.962 HD22 :: 0.962 HD23 :: 0.962 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.183 Ave N Shift Values>> N :: 121.98(4.07) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.25 K 0.05 C Shift Assignments>> C :: 179.959 CA :: 57.625 CB :: 41.569 CG :: 26.810 CD1 :: 27.405 CD2 :: 23.896 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.046 HA :: 4.208 HB2 :: 1.605 HB3 :: 2.381 HG :: 1.787 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.944 HD22 :: 0.944 HD23 :: 0.944 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.850 Ave N Shift Values>> N :: 121.98(4.07) 1.R51 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.56 L 0.39 R 0.03 C Shift Assignments>> C :: 177.550 CA :: 56.599 CB :: 28.489 CG :: 24.139 CD :: 40.904 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.720 HA :: 2.832 HB2 :: 0.826(S) HB3 :: 1.511 HG2 :: 0.865 HG3 :: 0.865 HD2 :: 1.560(S) HD3 :: 1.452(S) HE :: 8.020 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.761 NE :: 85.669 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB3 : 0.9958) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 M 0.12 I 0.1 K 0.08 Q 0.01 C Shift Assignments>> C :: 174.914 CA :: 56.104 CB :: 30.201 CG :: 37.032 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.349 HA :: 4.057 HB2 :: 2.134 HB3 :: 1.869 HG2 :: 2.010 HG3 :: 2.254 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.073 Ave N Shift Values>> N :: 120.68(3.68) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 F 0.25 N 0.17 L 0.15 K 0.04 I 0.03 E 0.01 C Shift Assignments>> C :: 175.658 CA :: 55.610 CB :: 39.824 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.884 HA :: 4.540 HB2 :: 2.543 HB3 :: 3.113 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.797 Ave N Shift Values>> N :: 120.73(4.2) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.96 G 0.02 C Shift Assignments>> C :: 177.502 CA :: 57.622 CB :: 36.402 CG :: 29.183 CD :: 26.782 CE :: 41.928 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.691 HA :: 4.441 HB2 :: 2.088 HB3 :: 1.709 HG2 :: 1.380 HG3 :: 1.655 HD2 :: 1.525 HD3 :: 1.413 HE2 :: 2.654 HE3 :: 2.654 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 111.800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 I 0.4 V 0.12 C Shift Assignments>> C :: 173.799 CA :: 57.397 CB :: 36.049 CG1 :: 22.665 CG2 :: 17.565 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.189 HA :: 5.369 HB :: 2.111 HG11 :: 0.713 HG12 :: 0.713 HG13 :: 0.713 HG21 :: 0.558 HG22 :: 0.558 HG23 :: 0.558 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 106.182 Ave N Shift Values>> N :: 121.02(4.96) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.205 CA :: 60.482 CB :: 34.709 CG1 :: 20.633 CG2 :: 20.633 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.077 HA :: 4.619 HB :: 2.055 HG11 :: 0.948 HG12 :: 0.948 HG13 :: 0.948 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.810 Ave N Shift Values>> N :: 121.02(4.96) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.378 CA :: 59.626 CB :: 71.849 CG2 :: 22.328 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.228 HA :: 5.859 HB :: 4.481 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.983 Ave N Shift Values>> N :: 115.7(5.05) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.556 CA :: 57.113 CB :: 64.594 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.320 HA :: 4.768 HB2 :: 3.993 HB3 :: 3.993 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.936 Ave N Shift Values>> N :: 116.3(3.95) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 M 0.46 I 0.01 Q 0.01 HN Overlap>> 1.L11 1.L11 C Shift Assignments>> C :: 175.885 CA :: 55.311 CB :: 32.636 CG :: 36.767 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.692 HA :: 5.406 HB2 :: 1.871 HB3 :: 1.871 HG2 :: 2.103 HG3 :: 1.984 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.877 Ave N Shift Values>> N :: 120.68(3.68) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.836 CA :: 61.494 CB :: 34.356 CG1 :: 20.584 CG2 :: 20.414 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.069 HA :: 4.185 HB :: 1.731 HG11 :: 0.776 HG12 :: 0.776 HG13 :: 0.776 HG21 :: 0.547 HG22 :: 0.547 HG23 :: 0.547 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.360 Ave N Shift Values>> N :: 121.02(4.96) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 K 0.21 I 0.19 Q 0.1 R 0.01 C Shift Assignments>> C :: 176.499 CA :: 56.796 CB :: 27.486 CG :: 36.186 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.543 HA :: 3.865 HB2 :: 2.246 HB3 :: 2.006 HG2 :: 2.290 HG3 :: 2.208 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.955 Ave N Shift Values>> N :: 120.68(3.68) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 173.766 CA :: 45.359 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.606 HA2 :: 3.654 HA3 :: 4.160 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.743 Ave N Shift Values>> N :: 109.91(4.29) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 M 0.44 I 0.02 C Shift Assignments>> C :: 175.496 CA :: 54.801 CB :: 32.363 CG :: 37.027 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.012 HA :: 4.680 HB2 :: 2.262 HB3 :: 2.088 HG2 :: 2.366 HG3 :: 2.272 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.830 Ave N Shift Values>> N :: 120.68(3.68) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.330 CA :: 63.083 CB :: 38.848 CG1 :: 28.500 CG2 :: 16.882 CD1 :: 13.831 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.822 HA :: 4.196 HB :: 1.895 HG12 :: 2.012 HG13 :: 1.355 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 HD11 :: 1.234 HD12 :: 1.234 HD13 :: 1.234 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.130 Ave N Shift Values>> N :: 121.6(4.72) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.96 G 0.03 C Shift Assignments>> C :: 173.782 CA :: 56.982 CB :: 42.259 CD1 :: 131.327 CD2 :: 131.327 CE1 :: 130.725 CE2 :: 130.725 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.985 HA :: 4.827 HB2 :: 2.575 HB3 :: 3.105 HD1 :: 6.976 HD2 :: 6.976 HE1 :: 7.211 HE2 :: 7.211 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 130.824 Ave N Shift Values>> N :: 120.69(4.18) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 172.004 CA :: 60.493 CB :: 33.650 CG1 :: 23.047 CG2 :: 21.448 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.363 HA :: 4.546 HB :: 1.824 HG11 :: 0.716 HG12 :: 0.716 HG13 :: 0.716 HG21 :: 0.805 HG22 :: 0.805 HG23 :: 0.805 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.872 Ave N Shift Values>> N :: 121.02(4.96) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 R 0.44 M 0.06 G 0.03 A 0.01 HN Overlap>> 1.A38 1.A38 C Shift Assignments>> C :: 175.319 CA :: 54.333 CB :: 36.936 CG :: 24.390 CD :: 29.888 CE :: 41.954 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.389 HA :: 4.541 HB2 :: 1.656 HB3 :: 1.584 HG2 :: 1.458 HG3 :: 1.231 HD2 :: 1.716 HD3 :: 1.665 HE2 :: 2.965 HE3 :: 2.965 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.185 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.03 A 0.02 G 0.01 C Shift Assignments>> C :: 177.857 CA :: 55.333 CB :: 41.922 CG :: 26.433 CD1 :: 24.429 CD2 :: 23.545 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.389 HA :: 4.544 HB2 :: 1.372 HB3 :: 1.618 HG :: 1.377 HD11 :: 0.334 HD12 :: 0.334 HD13 :: 0.334 HD21 :: 0.545 HD22 :: 0.545 HD23 :: 0.545 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.728 Ave N Shift Values>> N :: 121.98(4.07) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.690 CA :: 62.566 CB :: 32.474 CG1 :: 21.088 CG2 :: 21.271 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.569 HA :: 3.919 HB :: 1.874 HG11 :: 0.854 HG12 :: 0.854 HG13 :: 0.854 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.938 Ave N Shift Values>> N :: 121.02(4.96) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.07 G 0.03 A 0.03 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> C :: 177.000 CA :: 54.883 CB :: 42.464 CG :: 26.790 CD1 :: 24.762 CD2 :: 23.433 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.333 HA :: 4.422 HB2 :: 1.584 HB3 :: 1.518 HG :: 1.572 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.910 Ave N Shift Values>> N :: 121.98(4.07) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 M 0.17 K 0.13 Q 0.11 I 0.05 C Shift Assignments>> C :: 175.998 CA :: 56.407 CB :: 30.289 CG :: 35.958 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.399 HA :: 4.220 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 2.196 HG3 :: 2.156 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.689 Ave N Shift Values>> N :: 120.68(3.68) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 L 0.12 H 0.11 Q 0.1 K 0.09 R 0.09 W 0.06 E 0.06 D 0.06 F 0.05 S 0.02 N 0.02 A 0.02 C Shift Assignments>> C :: 174.898 CA :: 55.953 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.370 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.886 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H76 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H77 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 72 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 72 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 76 #Suspicious: 1 C Shift Results: #Consistent: 336 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 546 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 76 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G9 HA3 = 1.912(S), Expected = 3.93, Std = 0.4000, ChiSquare = 4.5352e-07 1.L25 CB = 48.801(S), Expected = 42.37, Std = 1.8600, ChiSquare = 5.4516e-04 1.Q27 HG3 = 0.455(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.2674e-10 1.K40 HB2 = 0.641(S), Expected = 1.79, Std = 0.2500, ChiSquare = 4.3068e-06 1.R51 HB2 = 0.826(S), Expected = 1.79, Std = 0.2800, ChiSquare = 5.7560e-04 1.R51 HD2 = 1.560(S), Expected = 3.13, Std = 0.2300, ChiSquare = 8.7262e-12 1.R51 HD3 = 1.452(S), Expected = 3.13, Std = 0.2200, ChiSquare = 2.3977e-14 1.R51 SRO Rule Break>> HD3 > HB3 : 0.995794785534062