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 0.69 A 0.3 C Shift Assignments>> C :: 172.814 CA :: 54.691 CB :: 33.130 CG :: 30.414 CE :: 16.575 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 :: 4.177 HB2 :: 2.113 HB3 :: 2.027 HG2 :: 2.556 HG3 :: 2.597 HE1 :: 1.991 HE2 :: 1.991 HE3 :: 1.991 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.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.814 CA :: 60.921 CB :: 39.315 CG1 :: 26.563 CG2 :: 17.685 CD1 :: 14.344 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 :: 8.490 HA :: 4.289 HB :: 1.859 HG12 :: 1.386 HG13 :: 1.234 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 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 :: 122.494 Ave N Shift Values>> N :: 121.6(4.72) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.2 G 0.08 C Shift Assignments>> C :: 175.672 CA :: 54.803 CB :: 31.093 CG :: 26.965 CD :: 43.110 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.326 HA :: 4.420 HB2 :: 1.765 HB3 :: 1.684 HG2 :: 1.618 HG3 :: 1.526 HD2 :: 3.167 HD3 :: 3.167 HE :: 7.150 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 :: 122.974 NE :: 84.830 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 G 0.25 R 0.11 A 0.05 C Shift Assignments>> C :: 178.022 CA :: 53.450 CB :: 43.862 CG :: 26.982 CD1 :: 26.659 CD2 :: 23.174 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 :: 8.568 HA :: 4.798 HB2 :: 1.672 HB3 :: 1.672 HG :: 1.625 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.304 Ave N Shift Values>> N :: 121.98(4.07) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.624 CA :: 60.637 CB :: 70.885 CG2 :: 21.775 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 :: 9.197 HA :: 4.521 HB :: 4.783 HG21 :: 1.293 HG22 :: 1.293 HG23 :: 1.293 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 :: 114.288 Ave N Shift Values>> N :: 115.7(5.05) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.561 CA :: 64.263 CB :: 37.605 CG1 :: 28.691 CG2 :: 17.320 CD1 :: 12.881 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 :: 8.953 HA :: 3.877 HB :: 1.828 HG12 :: 1.547 HG13 :: 1.231 HG21 :: 0.870 HG22 :: 0.870 HG23 :: 0.870 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 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 :: 123.470 Ave N Shift Values>> N :: 121.6(4.72) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 E 0.36 K 0.05 C Shift Assignments>> C :: 179.895 CA :: 60.250 CB :: 28.753 CG :: 36.810 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 :: 8.735 HA :: 4.075 HB2 :: 2.023 HB3 :: 1.975 HG2 :: 2.468 HG3 :: 2.286 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 :: 119.757 Ave N Shift Values>> N :: 120.68(3.68) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.23 M 0.11 K 0.05 C Shift Assignments>> C :: 178.260 CA :: 59.117 CB :: 30.725 CG :: 36.594 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 :: 7.583 HA :: 3.883 HB2 :: 2.387 HB3 :: 1.871 HG2 :: 2.621 HG3 :: 2.202 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 :: 120.142 Ave N Shift Values>> N :: 120.68(3.68) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.386 CA :: 67.206 CB :: 68.222 CG2 :: 21.933 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 :: 8.572 HA :: 3.687 HB :: 4.308 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 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 :: 115.356 Ave N Shift Values>> N :: 115.7(5.05) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.2 N 0.14 E 0.12 D 0.09 I 0.06 L 0.03 M 0.02 C Shift Assignments>> C :: 177.561 CA :: 56.163 CB :: 38.144 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.442 HA :: 4.396 HB2 :: 2.869 HB3 :: 2.790 HD21 :: 7.768 HD22 :: 6.865 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.430 ND2 :: 111.747 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.11 C Shift Assignments>> C :: 178.260 CA :: 58.544 CB :: 41.421 CG :: 27.364 CD1 :: 25.218 CD2 :: 25.297 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 :: 7.570 HA :: 4.160 HB2 :: 1.975 HB3 :: 1.827 HG :: 1.804 HD11 :: 1.069 HD12 :: 1.069 HD13 :: 1.069 HD21 :: 0.963 HD22 :: 0.963 HD23 :: 0.963 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 :: 120.820 Ave N Shift Values>> N :: 121.98(4.07) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.15 K 0.01 C Shift Assignments>> C :: 178.704 CA :: 58.485 CB :: 41.613 CG :: 26.984 CD1 :: 26.270 CD2 :: 24.174 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 :: 8.153 HA :: 3.956 HB2 :: 1.900 HB3 :: 1.617 HG :: 2.015 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 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 :: 117.132 Ave N Shift Values>> N :: 121.98(4.07) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.910 CA :: 61.469 CB :: 63.042 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.036 HA :: 4.070 HB2 :: 3.928 HB3 :: 3.928 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.590 Ave N Shift Values>> N :: 116.3(3.95) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.831 CA :: 63.765 CB :: 38.348 CG1 :: 27.983 CG2 :: 16.279 CD1 :: 13.343 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.314 HA :: 3.667 HB :: 1.561 HG12 :: 1.520 HG13 :: 1.003 HG21 :: 0.138 HG22 :: 0.138 HG23 :: 0.138 HD11 :: 0.752 HD12 :: 0.752 HD13 :: 0.752 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.450 Ave N Shift Values>> N :: 121.6(4.72) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.449 CA :: 58.629 CB :: 40.383 CD1 :: 133.201 CD2 :: 133.201 CE1 :: 117.688 CE2 :: 117.688 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.964 HA :: 4.734 HB2 :: 2.447 HB3 :: 3.538 HD1 :: 7.230 HD2 :: 7.230 HE1 :: 6.605 HE2 :: 6.605 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.289 Ave N Shift Values>> N :: 120.79(4.69) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 Y 0.22 F 0.16 D 0.15 E 0.07 L 0.04 I 0.02 M 0.02 HN Overlap>> 1.L52 1.L52 C Shift Assignments>> C :: 173.788 CA :: 55.143 CB :: 38.342 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 :: 7.623 HA :: 4.505 HB2 :: 2.949 HB3 :: 2.949 HD21 :: 7.760 HD22 :: 7.049 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 :: 117.542 ND2 :: 115.304 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.37 K 0.05 I 0.03 C Shift Assignments>> C :: 175.211 CA :: 56.454 CB :: 31.520 CG :: 35.833 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 :: 7.849 HA :: 4.398 HB2 :: 1.975 HB3 :: 1.939 HG2 :: 2.189 HG3 :: 2.189 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 :: 127.077 Ave N Shift Values>> N :: 120.68(3.68) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 176.132 CA :: 46.219 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.671 HA2 :: 4.133 HA3 :: 3.844 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.847 Ave N Shift Values>> N :: 109.91(4.29) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.23 R 0.19 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.401 CA :: 44.479 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.506 HA2 :: 4.178 HA3 :: 4.024 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.170 Ave N Shift Values>> N :: 109.91(4.29) 1.K20 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.6 R 0.33 M 0.03 G 0.02 C Shift Assignments>> C :: 178.276 CA :: 59.921 CB :: 32.166 CG :: 25.229 CD :: 29.661 CE :: 42.321 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 :: 9.242 HA :: 2.761(S) HB2 :: 1.149 HB3 :: 1.505 HG2 :: 0.885 HG3 :: 0.885 HD2 :: 1.495 HD3 :: 1.358 HE2 :: 3.010 HE3 :: 2.869 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 :: 125.016 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.17 G 0.1 L 0.03 C Shift Assignments>> C :: 178.927 CA :: 59.154 CB :: 29.691 CG :: 26.880 CD :: 43.179 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.645 HA :: 3.900 HB2 :: 1.893 HB3 :: 1.741 HG2 :: 1.694 HG3 :: 1.561 HD2 :: 3.209 HD3 :: 3.209 HE :: 7.352 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 :: 116.702 NE :: 84.469 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.910 CA :: 46.891 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.518 HA2 :: 4.220 HA3 :: 3.787 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.703 Ave N Shift Values>> N :: 109.91(4.29) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.03 C Shift Assignments>> C :: 179.197 CA :: 57.893 CB :: 40.651 CG :: 26.727 CD1 :: 24.855 CD2 :: 25.549 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 :: 8.085 HA :: 4.376 HB2 :: 1.933 HB3 :: 1.933 HG :: 1.739 HD11 :: 0.975 HD12 :: 0.975 HD13 :: 0.975 HD21 :: 1.000 HD22 :: 1.000 HD23 :: 1.000 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 :: 123.269 Ave N Shift Values>> N :: 121.98(4.07) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 I 0.01 C Shift Assignments>> C :: 178.720 CA :: 59.686 CB :: 32.079 CG :: 32.088 CE :: 16.257 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 :: 8.128 HA :: 3.740 HB2 :: 2.106 HB3 :: 2.106 HG2 :: 2.199 HG3 :: 2.851 HE1 :: 2.077 HE2 :: 2.077 HE3 :: 2.077 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.157 Ave N Shift Values>> N :: 120.1(3.88) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.31 K 0.12 M 0.03 C Shift Assignments>> C :: 179.435 CA :: 59.328 CB :: 29.347 CG :: 36.251 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 :: 8.292 HA :: 4.026 HB2 :: 2.174 HB3 :: 2.096 HG2 :: 2.481 HG3 :: 2.317 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 :: 119.362 Ave N Shift Values>> N :: 120.68(3.68) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 N 0.23 F 0.17 E 0.11 D 0.11 I 0.03 L 0.03 M 0.02 C Shift Assignments>> C :: 178.260 CA :: 55.501 CB :: 38.063 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.727 HA :: 4.585 HB2 :: 3.428 HB3 :: 3.428 HD21 :: 7.702 HD22 :: 7.085 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.144 ND2 :: 110.741 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.926 CB :: 36.682 CG1 :: 29.357 CG2 :: 17.999 CD1 :: 12.915 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 :: 8.561 HA :: 2.892 HB :: 1.651 HG12 :: 0.428 HG13 :: 1.677 HG21 :: 0.648 HG22 :: 0.648 HG23 :: 0.648 HD11 :: 0.668 HD12 :: 0.668 HD13 :: 0.668 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.279 Ave N Shift Values>> N :: 121.6(4.72) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.26 D 0.09 I 0.08 E 0.08 N 0.07 L 0.04 M 0.01 C Shift Assignments>> C :: 177.545 CA :: 56.874 CB :: 38.595 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.019 HA :: 4.280 HB2 :: 2.820 HB3 :: 2.590 HD21 :: 7.389 HD22 :: 6.730 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>> ND2 :: 112.093 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 178.196 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.812 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.555 Ave N Shift Values>> N :: 123.23(3.7) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.22 L 0.03 C Shift Assignments>> CA :: 52.729 CB :: 20.241 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.361 HA :: 4.569 HB1 :: 1.528 HB2 :: 1.528 HB3 :: 1.528 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.160 Ave N Shift Values>> N :: 123.23(3.7) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.96 R 0.02 C Shift Assignments>> CA :: 59.677 CB :: 40.418 CG :: 26.664 CD1 :: 25.894 CD2 :: 24.879 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 :: 7.625 HA :: 4.169 HB2 :: 1.933 HB3 :: 1.425 HG :: 1.991 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 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) 1.P32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.604 CA :: 64.854 CB :: 30.759 CG :: 27.549 CD :: 50.522 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.145 HB2 :: 0.649(S) HB3 :: 1.988 HG2 :: 1.681 HG3 :: 1.681 HD2 :: 3.283 HD3 :: 3.578 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 56.473 CB :: 39.237 CD1 :: 131.453 CD2 :: 131.453 CE1 :: 131.483 CE2 :: 131.483 CZ :: 129.653 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 :: 7.664 HA :: 4.660 HB2 :: 2.964 HB3 :: 3.613 HD1 :: 7.316 HD2 :: 7.316 HE1 :: 7.437 HE2 :: 7.437 HZ :: 7.333 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 :: 114.656 Ave N Shift Values>> N :: 120.69(4.18) 1.M34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.95 I 0.04 C Shift Assignments>> CB :: 34.877 CG :: 33.138 CE :: 17.391 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 :: 4.524 HB2 :: 1.931 HB3 :: 2.060 HG2 :: 2.470 HG3 :: 2.867 HE1 :: 1.904 HE2 :: 1.904 HE3 :: 1.904 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.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.16 Y 0.07 F 0.05 L 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 175.195 CA :: 52.403 CB :: 38.267 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 :: 7.017 HA :: 4.643 HB2 :: 3.215 HB3 :: 3.215 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 113.296 Ave N Shift Values>> N :: 120.73(4.2) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.4 K 0.1 M 0.03 C Shift Assignments>> C :: 178.006 CA :: 60.632 CB :: 29.637 CG :: 35.879 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 :: 8.803 HA :: 3.823 HB2 :: 2.097 HB3 :: 2.048 HG2 :: 2.349 HG3 :: 2.349 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 :: 119.429 Ave N Shift Values>> N :: 120.68(3.68) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 D 0.12 L 0.11 I 0.07 K 0.06 N 0.03 C Shift Assignments>> C :: 179.213 CA :: 57.215 CB :: 40.064 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.251 HA :: 4.440 HB2 :: 2.684 HB3 :: 2.684 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.294 Ave N Shift Values>> N :: 120.73(4.2) 1.M38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.89 A 0.09 C Shift Assignments>> C :: 177.323 CA :: 57.162 CB :: 31.774 CG :: 32.750 CE :: 17.177 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 :: 8.297 HA :: 4.444 HB2 :: 2.198 HB3 :: 2.083 HG2 :: 2.907 HG3 :: 2.805 HE1 :: 2.109 HE2 :: 2.109 HE3 :: 2.109 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 :: 121.699 Ave N Shift Values>> N :: 120.1(3.88) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.19 K 0.09 C Shift Assignments>> C :: 178.498 CA :: 59.611 CB :: 29.931 CG :: 27.970 CD :: 43.569 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.835 HA :: 4.034 HB2 :: 1.900 HB3 :: 1.822 HG2 :: 1.709 HG3 :: 1.563 HD2 :: 3.156 HD3 :: 3.201 HE :: 6.889 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 :: 121.001 NE :: 83.904 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.28 K 0.18 M 0.02 R 0.01 C Shift Assignments>> C :: 179.197 CA :: 59.151 CB :: 28.760 CG :: 35.881 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 :: 7.808 HA :: 4.061 HB2 :: 2.155 HB3 :: 2.155 HG2 :: 2.439 HG3 :: 2.439 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 :: 117.750 Ave N Shift Values>> N :: 120.68(3.68) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.16 K 0.02 C Shift Assignments>> C :: 180.118 CA :: 57.969 CB :: 41.283 CG :: 27.310 CD1 :: 24.056 CD2 :: 26.194 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 :: 7.669 HA :: 4.106 HB2 :: 1.718 HB3 :: 2.077 HG :: 1.511 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.936 HD22 :: 0.936 HD23 :: 0.936 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 :: 121.678 Ave N Shift Values>> N :: 121.98(4.07) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.31 I 0.05 V 0.01 C Shift Assignments>> C :: 178.974 CA :: 55.594 CB :: 18.291 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.332 HA :: 3.842 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.104 Ave N Shift Values>> N :: 123.23(3.7) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.3 M 0.01 G 0.01 C Shift Assignments>> C :: 180.133 CA :: 60.393 CB :: 32.121 CG :: 25.802 CD :: 29.360 CE :: 41.758 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 :: 8.428 HA :: 3.888 HB2 :: 1.919 HB3 :: 1.919 HG2 :: 1.748 HG3 :: 1.434 HD2 :: 1.673 HD3 :: 1.673 HE2 :: 2.905 HE3 :: 2.845 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 :: 117.925 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.22 K 0.08 C Shift Assignments>> C :: 178.958 CA :: 59.349 CB :: 30.331 CG :: 27.745 CD :: 43.776 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.037 HA :: 4.142 HB2 :: 2.079 HB3 :: 1.973 HG2 :: 1.898 HG3 :: 1.668 HD2 :: 3.307 HD3 :: 3.247 HE :: 7.771 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.065 NE :: 84.446 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.371 CA :: 68.121 CB :: 67.629 CG2 :: 21.428 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 :: 8.434 HA :: 3.714 HB :: 4.199 HG21 :: 1.153 HG22 :: 1.153 HG23 :: 1.153 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 :: 118.426 Ave N Shift Values>> N :: 115.7(5.05) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.09 G 0.01 C Shift Assignments>> C :: 178.498 CA :: 58.143 CB :: 41.723 CG :: 26.867 CD1 :: 25.241 CD2 :: 23.859 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 :: 8.645 HA :: 3.846 HB2 :: 1.953 HB3 :: 1.493 HG :: 1.775 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 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 :: 121.344 Ave N Shift Values>> N :: 121.98(4.07) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.45 I 0.02 C Shift Assignments>> C :: 179.895 CA :: 54.484 CB :: 17.740 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.484 HA :: 4.154 HB1 :: 1.506 HB2 :: 1.506 HB3 :: 1.506 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.666 Ave N Shift Values>> N :: 123.23(3.7) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 K 0.45 M 0.03 G 0.01 C Shift Assignments>> C :: 177.323 CA :: 58.880 CB :: 33.141 CG :: 26.174 CD :: 30.373 CE :: 42.058 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 :: 7.507 HA :: 4.142 HB2 :: 1.792 HB3 :: 2.033 HG2 :: 1.758 HG3 :: 1.415 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.961 HE3 :: 2.961 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 :: 116.518 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.847 CA :: 60.525 CB :: 38.308 CG1 :: 27.514 CG2 :: 18.539 CD1 :: 12.957 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.567 HA :: 4.262 HB :: 2.058 HG12 :: 1.659 HG13 :: 1.461 HG21 :: 0.959 HG22 :: 0.959 HG23 :: 0.959 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 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 :: 112.541 Ave N Shift Values>> N :: 121.6(4.72) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 I 0.18 A 0.03 C Shift Assignments>> C :: 176.386 CA :: 57.200 CB :: 15.962 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.102 HA :: 4.089 HB1 :: 1.506 HB2 :: 1.506 HB3 :: 1.506 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.348 Ave N Shift Values>> N :: 123.23(3.7) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.578 CA :: 64.331 CB :: 31.807 CG :: 27.334 CD :: 50.608 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.564 HB2 :: 1.852 HB3 :: 2.349 HG2 :: 1.937 HG3 :: 1.937 HD2 :: 3.402 HD3 :: 3.641 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 R 0.17 A 0.09 G 0.01 HN Overlap>> 1.N16 1.N16 C Shift Assignments>> C :: 178.704 CA :: 55.368 CB :: 41.723 CG :: 27.176 CD1 :: 26.583 CD2 :: 22.311 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 :: 7.649 HA :: 4.479 HB2 :: 1.928 HB3 :: 1.814 HG :: 2.058 HD11 :: 1.027 HD12 :: 1.027 HD13 :: 1.027 HD21 :: 0.910 HD22 :: 0.910 HD23 :: 0.910 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 :: 117.650 Ave N Shift Values>> N :: 121.98(4.07) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.688 CA :: 60.968 CB :: 70.869 CG2 :: 21.744 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 :: 9.240 HA :: 4.539 HB :: 4.824 HG1 :: 5.777 HG21 :: 1.423 HG22 :: 1.423 HG23 :: 1.423 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 :: 113.489 Ave N Shift Values>> N :: 115.7(5.05) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 E 0.41 K 0.11 M 0.01 C Shift Assignments>> C :: 179.435 CA :: 60.290 CB :: 28.903 CG :: 36.023 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.076 HA :: 4.076 HB2 :: 2.219 HB3 :: 2.118 HG2 :: 2.521 HG3 :: 2.421 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 :: 120.497 Ave N Shift Values>> N :: 120.68(3.68) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.19 E 0.15 N 0.14 D 0.08 I 0.06 M 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 177.768 CA :: 56.161 CB :: 37.943 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.536 HA :: 4.551 HB2 :: 2.809 HB3 :: 2.761 HD21 :: 7.692 HD22 :: 7.035 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 :: 116.860 ND2 :: 112.832 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.31 M 0.09 K 0.02 C Shift Assignments>> C :: 179.689 CA :: 58.928 CB :: 30.964 CG :: 37.442 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 :: 7.837 HA :: 4.061 HB2 :: 2.399 HB3 :: 1.988 HG2 :: 2.412 HG3 :: 2.288 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 :: 120.402 Ave N Shift Values>> N :: 120.68(3.68) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.402 CA :: 61.709 CB :: 38.295 CD1 :: 132.430 CD2 :: 132.430 CE1 :: 117.377 CE2 :: 117.377 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.835 HA :: 3.976 HB2 :: 2.856 HB3 :: 3.214 HD1 :: 6.982 HD2 :: 6.982 HE1 :: 6.576 HE2 :: 6.576 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.456 Ave N Shift Values>> N :: 120.79(4.69) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.48 I 0.02 HN Overlap>> 1.E67 1.E67 C Shift Assignments>> C :: 179.419 CA :: 54.448 CB :: 18.000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.143 HA :: 3.961 HB1 :: 1.599 HB2 :: 1.599 HB3 :: 1.599 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.254 Ave N Shift Values>> N :: 123.23(3.7) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 K 0.15 I 0.13 M 0.1 C Shift Assignments>> C :: 177.561 CA :: 57.525 CB :: 29.902 CG :: 36.278 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 :: 7.347 HA :: 4.097 HB2 :: 2.135 HB3 :: 2.079 HG2 :: 2.489 HG3 :: 2.274 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 :: 115.367 Ave N Shift Values>> N :: 120.68(3.68) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 G 0.02 C Shift Assignments>> C :: 177.578 CA :: 56.275 CB :: 42.092 CG :: 26.258 CD1 :: 24.894 CD2 :: 24.161 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 :: 7.466 HA :: 4.121 HB2 :: 1.600 HB3 :: 1.383 HG :: 1.733 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 HD21 :: 0.788 HD22 :: 0.788 HD23 :: 0.788 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 :: 120.553 Ave N Shift Values>> N :: 121.98(4.07) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.37 C Shift Assignments>> C :: 177.990 CA :: 53.110 CB :: 17.307 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.277 HA :: 4.015 HB1 :: 1.196 HB2 :: 1.196 HB3 :: 1.196 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.770 Ave N Shift Values>> N :: 123.23(3.7) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.180 CA :: 62.118 CB :: 38.129 CG1 :: 27.355 CG2 :: 17.462 CD1 :: 13.170 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.492 HA :: 3.873 HB :: 1.696 HG12 :: 1.221 HG13 :: 0.887 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.448 Ave N Shift Values>> N :: 121.6(4.72) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.693 CA :: 58.150 CB :: 39.422 CD1 :: 131.783 CD2 :: 131.783 CE1 :: 131.363 CE2 :: 131.363 CZ :: 129.598 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 :: 7.638 HA :: 4.550 HB2 :: 3.247 HB3 :: 3.003 HD1 :: 7.199 HD2 :: 7.199 HE1 :: 7.249 HE2 :: 7.249 HZ :: 7.193 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 :: 122.166 Ave N Shift Values>> N :: 120.69(4.18) 1.A64 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 :: 177.768 CA :: 52.732 CB :: 19.137 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.435 HA :: 4.242 HB1 :: 1.405 HB2 :: 1.405 HB3 :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.368 Ave N Shift Values>> N :: 123.23(3.7) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.28 C Shift Assignments>> C :: 178.260 CA :: 53.226 CB :: 18.938 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.088 HA :: 4.202 HB1 :: 1.409 HB2 :: 1.409 HB3 :: 1.409 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.110 Ave N Shift Values>> N :: 123.23(3.7) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.19 F 0.13 Y 0.11 K 0.11 N 0.11 R 0.02 HN Overlap>> 1.H71 1.H71 C Shift Assignments>> C :: 176.640 CA :: 54.917 CB :: 40.722 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.158 HA :: 4.520 HB2 :: 2.667 HB3 :: 2.667 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.490 Ave N Shift Values>> N :: 120.73(4.2) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.16 M 0.14 I 0.09 HN Overlap>> 1.A58 1.A58 C Shift Assignments>> C :: 176.878 CA :: 57.126 CB :: 30.041 CG :: 36.032 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 :: 8.097 HA :: 4.193 HB2 :: 1.925 HB3 :: 1.987 HG2 :: 2.142 HG3 :: 2.142 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 :: 120.231 Ave N Shift Values>> N :: 120.68(3.68) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.624 CA :: 63.384 CB :: 32.062 CG1 :: 21.102 CG2 :: 21.132 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 :: 7.984 HA :: 3.912 HB :: 2.067 HG11 :: 0.879 HG12 :: 0.879 HG13 :: 0.879 HG21 :: 0.949 HG22 :: 0.949 HG23 :: 0.949 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.627 Ave N Shift Values>> N :: 121.02(4.96) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.07 A 0.02 G 0.01 C Shift Assignments>> C :: 177.561 CA :: 55.615 CB :: 42.010 CG :: 26.691 CD1 :: 24.985 CD2 :: 23.252 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 :: 8.015 HA :: 4.211 HB2 :: 1.634 HB3 :: 1.482 HG :: 1.604 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.814 HD22 :: 0.814 HD23 :: 0.814 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.969 Ave N Shift Values>> N :: 121.98(4.07) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 K 0.2 M 0.12 I 0.08 C Shift Assignments>> C :: 176.561 CA :: 56.864 CB :: 29.792 CG :: 35.915 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 :: 8.138 HA :: 4.120 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 2.188 HG3 :: 2.138 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 :: 119.907 Ave N Shift Values>> N :: 120.68(3.68) 1.H71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.25 R 0.2 E 0.2 K 0.19 M 0.09 I 0.02 L 0.01 HN Overlap>> 1.D66 1.D66 C Shift Assignments>> C :: 174.973 CA :: 55.868 CB :: 29.727 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 :: 8.158 HB2 :: 3.050 HB3 :: 3.050 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 :: 118.387 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 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 ########################################################################### Overall Results: #Consistent: 74 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 70 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 75 #Suspicious: 1 C Shift Results: #Consistent: 314 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 521 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 74 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K20 HA = 2.761(S), Expected = 4.28, Std = 0.4500, ChiSquare = 7.3667e-04 1.K20 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K20 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.P32 HB2 = 0.649(S), Expected = 2.05, Std = 0.3900, ChiSquare = 3.2776e-04