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: Consistent PRTL>> M 0.45 C 0.39 A 0.14 C Shift Assignments>> C :: 175.630 CA :: 55.735 CB :: 32.636 CG :: 32.725 CE :: 17.306 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 :: 8.125 HA :: 4.469 HB2 :: 2.146 HB3 :: 2.015 HG2 :: 2.578 HG3 :: 2.394 HE1 :: 2.045 HE2 :: 2.045 HE3 :: 2.045 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 :: 118.452 Ave N Shift Values>> N :: 120.1(3.88) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 176.336 CA :: 45.591 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.156 HA2 :: 3.984 HA3 :: 3.869 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.430 Ave N Shift Values>> N :: 109.91(4.29) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 HN Overlap>> 1.F64 1.F64 C Shift Assignments>> C :: 173.526 CA :: 62.624 CB :: 33.168 CG1 :: 21.813 CG2 :: 21.542 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 :: 7.911 HA :: 4.068 HB :: 2.106 HG11 :: 1.010 HG12 :: 1.010 HG13 :: 1.010 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 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 :: 119.430 Ave N Shift Values>> N :: 121.02(4.96) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 K 0.3 C 0.29 R 0.01 C Shift Assignments>> C :: 175.936 CA :: 56.526 CB :: 41.744 CD1 :: 23.831 CD2 :: 26.596 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 :: 8.187 HA :: 3.906 HB2 :: 1.850 HB3 :: 1.045 HG :: 1.313 HD11 :: 0.653 HD12 :: 0.653 HD13 :: 0.653 HD21 :: 0.695 HD22 :: 0.695 HD23 :: 0.695 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 :: 122.609 Ave N Shift Values>> N :: 121.98(4.07) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.28 G 0.2 K 0.07 C Shift Assignments>> C :: 175.100 CA :: 54.326 CB :: 33.184 CG :: 26.579 CD :: 43.871 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 :: 6.506 HA :: 4.712 HB2 :: 1.848 HB3 :: 1.737 HG2 :: 1.673 HG3 :: 1.451 HD2 :: 3.168 HD3 :: 3.168 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 :: 117.416 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.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 174.697 CA :: 65.082 CB :: 31.783 CG1 :: 22.704 CG2 :: 21.511 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 :: 8.754 HA :: 3.669 HB :: 2.035 HG11 :: 1.074 HG12 :: 1.074 HG13 :: 1.074 HG21 :: 1.042 HG22 :: 1.042 HG23 :: 1.042 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.477 Ave N Shift Values>> N :: 121.02(4.96) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 177.176 CA :: 45.223 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.048 HA2 :: 4.328 HA3 :: 3.718 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.923 Ave N Shift Values>> N :: 109.91(4.29) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.4 L 0.15 C Shift Assignments>> C :: 175.552 CA :: 57.881 CB :: 44.119 CG :: 23.956 CD1 :: 24.620 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 :: 7.864 HA :: 4.149 HB2 :: 1.780 HB3 :: 1.780 HG :: 1.737 HD11 :: 1.078 HD12 :: 1.078 HD13 :: 1.078 HD21 :: 0.955 HD22 :: 0.955 HD23 :: 0.955 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 :: 121.311 Ave N Shift Values>> N :: 121.98(4.07) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 Q 0.17 K 0.15 C 0.14 R 0.12 E 0.11 M 0.05 L 0.02 I 0.01 C Shift Assignments>> C :: 176.386 CA :: 54.908 CB :: 29.328 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.371 HA :: 4.998 HB2 :: 3.024 HB3 :: 2.758 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 109.087 Ave N Shift Values>> N :: 119.95(4.79) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.26 C Shift Assignments>> CA :: 64.391 CB :: 32.165 CD :: 51.538 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 :: 4.405 HB2 :: 2.383 HB3 :: 1.888 HG2 :: 2.132 HG3 :: 1.980 HD2 :: 3.862 HD3 :: 3.611 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 177.408 CA :: 45.396 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.721 HA2 :: 4.145 HA3 :: 3.749 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.097 Ave N Shift Values>> N :: 109.91(4.29) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.23 K 0.13 R 0.02 G 0.01 C Shift Assignments>> C :: 173.841 CA :: 54.306 CB :: 42.193 CG :: 25.696 CD1 :: 25.854 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 :: 7.226 HA :: 4.747 HB2 :: 1.919 HB3 :: 1.541 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 120.452 Ave N Shift Values>> N :: 121.98(4.07) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 175.576 CA :: 59.987 CB :: 71.961 CG2 :: 21.983 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 :: 7.231 HA :: 4.637 HB :: 4.796 HG21 :: 1.316 HG22 :: 1.316 HG23 :: 1.316 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 :: 115.449 Ave N Shift Values>> N :: 115.7(5.05) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.24 K 0.05 Q 0.02 M 0.02 C Shift Assignments>> C :: 174.746 CA :: 60.191 CB :: 29.665 CG :: 36.213 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 :: 9.246 HA :: 3.961 HB2 :: 2.132 HB3 :: 2.013 HG2 :: 2.342 HG3 :: 2.342 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.164 Ave N Shift Values>> N :: 120.68(3.68) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.32 E 0.28 K 0.03 M 0.01 C Shift Assignments>> C :: 178.568 CA :: 60.296 CB :: 29.558 CG :: 36.819 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 :: 8.827 HA :: 4.046 HB2 :: 2.120 HB3 :: 1.961 HG2 :: 2.354 HG3 :: 2.329 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 :: 118.451 Ave N Shift Values>> N :: 120.68(3.68) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.42 I 0.03 HN Overlap>> 1.L31 1.L31 C Shift Assignments>> C :: 179.109 CA :: 59.365 CB :: 34.207 CG :: 32.271 CE :: 17.259 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 :: 7.703 HA :: 4.050 HB2 :: 2.384 HB3 :: 2.052 HG2 :: 2.628 HG3 :: 2.443 HE1 :: 2.124 HE2 :: 2.124 HE3 :: 2.124 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 :: 118.945 Ave N Shift Values>> N :: 120.1(3.88) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.896 CA :: 65.237 CB :: 37.368 CG2 :: 17.454 CD1 :: 13.405 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 :: 8.312 HA :: 3.518 HB :: 2.073 HG12 :: 1.636 HG13 :: 0.940 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 HD11 :: 0.619 HD12 :: 0.619 HD13 :: 0.619 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 :: 118.967 Ave N Shift Values>> N :: 121.6(4.72) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.23 Q 0.21 R 0.08 E 0.08 I 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 178.525 CA :: 59.403 CB :: 28.188 CG :: 33.669 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 :: 8.297 HA :: 4.028 HB2 :: 2.212 HB3 :: 2.212 HG2 :: 2.589 HG3 :: 2.540 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 :: 119.091 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 L 0.22 G 0.11 K 0.01 C Shift Assignments>> C :: 179.118 CA :: 58.428 CB :: 42.824 CG :: 23.963 CD1 :: 24.030 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 :: 7.903 HA :: 4.236 HB2 :: 2.002 HB3 :: 1.625 HG :: 1.839 HD11 :: 1.050 HD12 :: 1.050 HD13 :: 1.050 HD21 :: 0.732 HD22 :: 0.732 HD23 :: 0.732 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 :: 121.777 Ave N Shift Values>> N :: 121.98(4.07) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.39 C Shift Assignments>> C :: 180.131 CA :: 58.933 CB :: 40.233 CG :: 26.106 CD1 :: 26.288 CD2 :: 22.853 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 :: 8.631 HA :: 4.017 HB2 :: 1.925 HB3 :: 1.591 HG :: 1.856 HD11 :: 0.638 HD12 :: 0.638 HD13 :: 0.638 HD21 :: 0.700 HD22 :: 0.700 HD23 :: 0.700 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 :: 120.204 Ave N Shift Values>> N :: 121.98(4.07) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.28 G 0.26 I 0.02 K 0.01 C Shift Assignments>> C :: 180.009 CA :: 60.333 CB :: 30.515 CD :: 44.092 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 :: 8.660 HA :: 3.784 HB2 :: 2.058 HB3 :: 1.986 HG2 :: 1.823 HG3 :: 1.706 HD2 :: 3.247 HD3 :: 3.247 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 :: 120.681 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.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F61 1.F61 C Shift Assignments>> C :: 172.132 CA :: 61.490 CB :: 63.190 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.975 HA :: 4.320 HB2 :: 4.084 HB3 :: 3.983 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.949 Ave N Shift Values>> N :: 116.3(3.95) 1.H23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 E 0.15 C 0.14 Q 0.13 M 0.1 K 0.08 I 0.01 V 0.01 C Shift Assignments>> C :: 174.202 CA :: 56.421 CB :: 30.548 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.565 HA :: 4.691 HB2 :: 3.402 HB3 :: 2.651 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 :: 121.254 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.19 G 0.18 R 0.12 K 0.08 C Shift Assignments>> C :: 173.331 CA :: 58.294 CB :: 26.756 CG :: 28.203 CD :: 43.849 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 :: 7.781 HA :: 3.662 HB2 :: 2.194 HB3 :: 2.086 HG2 :: 1.584 HG3 :: 1.553 HD2 :: 3.249 HD3 :: 3.238 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 :: 109.964 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.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 174.782 CA :: 60.757 CB :: 36.764 CG1 :: 27.156 CG2 :: 17.714 CD1 :: 13.982 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 :: 8.137 HA :: 4.158 HB :: 1.872 HG12 :: 1.009 HG13 :: 1.493 HG21 :: 0.735 HG22 :: 0.735 HG23 :: 0.735 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 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 :: 122.460 Ave N Shift Values>> N :: 121.6(4.72) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.37 K 0.17 G 0.01 C Shift Assignments>> C :: 173.115 CA :: 57.203 CB :: 36.428 CG :: 26.191 CD :: 29.421 CE :: 42.309 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 :: 9.215 HA :: 4.601 HB2 :: 1.933 HB3 :: 1.868 HG2 :: 1.333 HG3 :: 1.333 HD2 :: 1.737 HD3 :: 1.737 HE2 :: 2.940 HE3 :: 2.940 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.327 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 T 0.46 C Shift Assignments>> C :: 177.026 CA :: 59.488 CB :: 73.212 CG2 :: 21.875 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 :: 8.363 HA :: 5.061 HB :: 4.556 HG21 :: 1.145 HG22 :: 1.145 HG23 :: 1.145 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 :: 110.461 Ave N Shift Values>> N :: 115.7(5.05) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> 1.D35 1.D35 C Shift Assignments>> C :: 174.868 CA :: 67.727 CB :: 31.801 CG1 :: 22.232 CG2 :: 23.489 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 :: 8.502 HA :: 3.425 HB :: 2.070 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 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 :: 119.348 Ave N Shift Values>> N :: 121.02(4.96) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.858 CA :: 66.280 CB :: 31.746 CG1 :: 23.399 CG2 :: 21.014 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 :: 7.988 HA :: 3.720 HB :: 1.989 HG11 :: 0.996 HG12 :: 0.996 HG13 :: 0.996 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 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 :: 117.724 Ave N Shift Values>> N :: 121.02(4.96) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 R 0.18 L 0.17 F 0.12 C 0.12 Y 0.09 D 0.06 I 0.01 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> C :: 176.388 CA :: 57.442 CB :: 42.283 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 :: 7.859 HA :: 4.294 HB2 :: 2.761 HB3 :: 3.188 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.212 Ave N Shift Values>> N :: 120.73(4.2) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 L 0.08 R 0.03 G 0.02 HN Overlap>> 1.M16 1.M16 C Shift Assignments>> C :: 177.872 CA :: 58.079 CB :: 42.223 CG :: 24.101 CD2 :: 26.622 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 :: 7.605 HA :: 4.058 HB2 :: 1.464 HB3 :: 2.010 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 HD21 :: 0.836 HD22 :: 0.836 HD23 :: 0.836 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 :: 118.950 Ave N Shift Values>> N :: 121.98(4.07) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.474 CA :: 65.611 CB :: 31.923 CG1 :: 21.957 CG2 :: 22.256 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 :: 8.493 HA :: 3.742 HB :: 2.289 HG11 :: 1.062 HG12 :: 1.062 HG13 :: 1.062 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 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 :: 112.941 Ave N Shift Values>> N :: 121.02(4.96) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.049 CA :: 58.830 CB :: 64.500 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.718 HA :: 4.608 HB2 :: 3.997 HB3 :: 3.953 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.131 Ave N Shift Values>> N :: 116.3(3.95) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.19 C 0.04 L 0.03 C Shift Assignments>> C :: 173.643 CA :: 52.458 CB :: 20.343 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.091 HA :: 4.260 HB1 :: 1.502 HB2 :: 1.502 HB3 :: 1.502 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.240 Ave N Shift Values>> N :: 123.23(3.7) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.28 C 0.12 L 0.1 F 0.07 Y 0.07 K 0.02 HN Overlap>> 1.V28 1.V28 C Shift Assignments>> C :: 176.529 CA :: 53.267 CB :: 40.094 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 :: 8.606 HA :: 4.806 HB2 :: 3.107 HB3 :: 2.668 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 :: 119.338 Ave N Shift Values>> N :: 120.73(4.2) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.45 R 0.05 A 0.01 C Shift Assignments>> C :: 176.767 CA :: 57.863 CB :: 41.317 CG :: 26.060 CD1 :: 26.476 CD2 :: 22.307 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 :: 8.643 HA :: 4.046 HB2 :: 2.042 HB3 :: 1.512 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 HD21 :: 0.847 HD22 :: 0.847 HD23 :: 0.847 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.708 Ave N Shift Values>> N :: 121.98(4.07) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.33 E 0.24 K 0.02 M 0.01 C Shift Assignments>> C :: 178.915 CA :: 60.413 CB :: 29.632 CG :: 37.249 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 :: 8.352 HA :: 3.950 HB2 :: 1.982 HB3 :: 1.982 HG2 :: 2.023 HG3 :: 1.828 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 :: 120.047 Ave N Shift Values>> N :: 120.68(3.68) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.22 K 0.04 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.923 CA :: 59.317 CB :: 29.771 CG :: 36.708 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 :: 7.387 HA :: 4.089 HB2 :: 2.256 HB3 :: 2.065 HG2 :: 2.369 HG3 :: 2.174 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 :: 121.398 Ave N Shift Values>> N :: 120.68(3.68) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> 1.D70 1.D70 C Shift Assignments>> C :: 178.824 CA :: 67.050 CB :: 32.312 CG1 :: 23.913 CG2 :: 22.872 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 :: 8.251 HA :: 3.321 HB :: 1.943 HG11 :: 1.044 HG12 :: 1.044 HG13 :: 1.044 HG21 :: 0.731 HG22 :: 0.731 HG23 :: 0.731 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.757 Ave N Shift Values>> N :: 121.02(4.96) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.15 I 0.12 C 0.04 V 0.01 HN Overlap>> 1.E74 1.E74 C Shift Assignments>> C :: 177.849 CA :: 56.565 CB :: 18.109 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.399 HA :: 3.812 HB1 :: 1.667 HB2 :: 1.667 HB3 :: 1.667 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.279 Ave N Shift Values>> N :: 123.23(3.7) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.23 E 0.13 R 0.05 I 0.03 M 0.02 C Shift Assignments>> C :: 179.813 CA :: 58.933 CB :: 28.755 CG :: 33.972 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 :: 7.525 HA :: 4.089 HB2 :: 2.254 HB3 :: 2.215 HG2 :: 2.552 HG3 :: 2.435 HE21 :: 7.638 HE22 :: 6.927 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.483 NE2 :: 112.956 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.48 M 0.01 C Shift Assignments>> C :: 179.055 CA :: 58.882 CB :: 33.111 CG :: 25.580 CD :: 29.121 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 :: 8.344 HA :: 4.097 HB2 :: 1.762 HB3 :: 1.617 HG2 :: 1.574 HG3 :: 1.498 HD2 :: 1.717 HD3 :: 1.641 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 :: 118.017 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 I 0.17 E 0.14 R 0.11 K 0.1 H 0.09 Q 0.09 V 0.05 M 0.02 P 0.01 C Shift Assignments>> C :: 178.581 CA :: 59.887 CB :: 29.487 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.090 HA :: 4.374 HB2 :: 2.750 HB3 :: 2.708 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 112.037 Ave N Shift Values>> N :: 119.95(4.79) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 174.565 CA :: 46.964 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.743 HA2 :: 3.999 HA3 :: 3.957 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.562 Ave N Shift Values>> N :: 109.91(4.29) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.21 L 0.21 A 0.02 C Shift Assignments>> C :: 174.674 CA :: 52.976 CB :: 46.088 CG :: 26.668 CD1 :: 23.975 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 :: 7.654 HA :: 4.609 HB2 :: 1.478 HB3 :: 1.373 HG :: 1.464 HD11 :: 0.934 HD12 :: 0.934 HD13 :: 0.934 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 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 :: 118.790 Ave N Shift Values>> N :: 121.98(4.07) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.491 CA :: 57.135 CB :: 63.564 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.351 HA :: 4.520 HB2 :: 4.137 HB3 :: 3.922 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.824 Ave N Shift Values>> N :: 116.3(3.95) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 175.710 CA :: 61.995 CB :: 38.701 CD1 :: 132.875 CE1 :: 118.952 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 :: 8.995 HA :: 4.063 HB2 :: 3.212 HB3 :: 2.979 HD1 :: 6.919 HD2 :: 6.919 HE1 :: 6.733 HE2 :: 6.733 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 129.535 Ave N Shift Values>> N :: 120.79(4.69) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.33 R 0.26 G 0.02 M 0.01 C Shift Assignments>> C :: 176.638 CA :: 59.983 CB :: 32.435 CG :: 25.877 CD :: 29.481 CE :: 42.446 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 :: 8.328 HA :: 3.679 HB2 :: 1.799 HB3 :: 1.799 HG2 :: 1.627 HG3 :: 1.459 HD2 :: 1.738 HD3 :: 1.738 HE2 :: 3.056 HE3 :: 3.056 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 :: 116.751 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.43 C 0.03 I 0.02 C Shift Assignments>> C :: 179.341 CA :: 54.846 CB :: 18.508 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.591 HA :: 4.187 HB1 :: 1.542 HB2 :: 1.542 HB3 :: 1.542 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.789 Ave N Shift Values>> N :: 123.23(3.7) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.39 K 0.16 G 0.01 HN Overlap>> 1.L53 1.L53 C Shift Assignments>> C :: 172.247 CA :: 57.853 CB :: 42.202 CG :: 30.821 CD1 :: 23.228 CD2 :: 26.674 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 :: 7.878 HA :: 4.058 HB2 :: 2.032 HB3 :: 1.453 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.718 Ave N Shift Values>> N :: 121.98(4.07) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.189 CA :: 66.747 CB :: 31.957 CG1 :: 21.365 CG2 :: 23.050 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 :: 8.326 HA :: 3.310 HB :: 1.789 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.474 HG22 :: 0.474 HG23 :: 0.474 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 :: 120.481 Ave N Shift Values>> N :: 121.02(4.96) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.33 I 0.04 C 0.03 C Shift Assignments>> C :: 178.882 CA :: 55.380 CB :: 18.271 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.551 HA :: 4.099 HB1 :: 1.498 HB2 :: 1.498 HB3 :: 1.498 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.169 Ave N Shift Values>> N :: 123.23(3.7) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.34 K 0.2 R 0.04 G 0.02 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 179.707 CA :: 57.887 CB :: 42.406 CG :: 25.445 CD2 :: 25.913 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 :: 7.806 HA :: 4.168 HB2 :: 1.794 HB3 :: 1.762 HG :: 1.659 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.682 Ave N Shift Values>> N :: 121.98(4.07) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 C 0.36 R 0.24 C Shift Assignments>> C :: 178.060 CA :: 60.646 CB :: 30.395 CG :: 27.928 CD :: 44.560 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 :: 8.365 HA :: 3.750 HB2 :: 2.185 HB3 :: 1.611 HG2 :: 1.771 HG3 :: 1.521 HD2 :: 3.401 HD3 :: 3.263 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 :: 118.460 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.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.17 K 0.04 C Shift Assignments>> C :: 176.797 CA :: 60.300 CB :: 30.402 CG :: 27.805 CD :: 43.775 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 :: 7.857 HA :: 3.987 HB2 :: 2.043 HB3 :: 2.004 HG2 :: 1.829 HG3 :: 1.648 HD2 :: 3.243 HD3 :: 3.243 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 :: 117.174 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.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.F64 1.F64 C Shift Assignments>> C :: 179.460 CA :: 66.274 CB :: 32.131 CG1 :: 23.098 CG2 :: 22.624 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 :: 7.978 HA :: 3.861 HB :: 2.318 HG11 :: 1.174 HG12 :: 1.174 HG13 :: 1.174 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 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 :: 119.577 Ave N Shift Values>> N :: 121.02(4.96) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 L 0.25 K 0.04 G 0.03 HN Overlap>> 1.E74 1.E74 C Shift Assignments>> C :: 178.800 CA :: 58.359 CB :: 42.151 CG :: 24.056 CD1 :: 24.455 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 :: 8.435 HA :: 4.127 HB2 :: 1.964 HB3 :: 1.400 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 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 :: 121.162 Ave N Shift Values>> N :: 121.98(4.07) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.32 K 0.16 R 0.03 G 0.01 C Shift Assignments>> C :: 179.435 CA :: 57.889 CB :: 42.098 CG :: 25.697 CD1 :: 25.756 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 :: 8.470 HA :: 4.113 HB2 :: 1.927 HB3 :: 1.534 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 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 :: 118.213 Ave N Shift Values>> N :: 121.98(4.07) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.45 C 0.03 I 0.02 C Shift Assignments>> C :: 179.580 CA :: 54.700 CB :: 18.518 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.704 HA :: 4.246 HB1 :: 1.566 HB2 :: 1.566 HB3 :: 1.566 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.548 Ave N Shift Values>> N :: 123.23(3.7) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.22 E 0.15 M 0.06 R 0.03 I 0.01 C Shift Assignments>> C :: 179.716 CA :: 57.775 CB :: 29.393 CG :: 34.060 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 :: 7.941 HA :: 4.142 HB2 :: 2.324 HB3 :: 1.913 HG2 :: 2.157 HG3 :: 2.051 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 :: 116.584 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.36 C 0.25 HN Overlap>> 1.S22 1.S22 C Shift Assignments>> C :: 177.188 CA :: 58.497 CB :: 39.798 CD1 :: 132.060 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 :: 7.896 HA :: 4.699 HB2 :: 3.328 HB3 :: 2.986 HD1 :: 7.409 HD2 :: 7.409 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 :: 116.985 Ave N Shift Values>> N :: 120.69(4.18) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.774 CA :: 59.373 CB :: 63.957 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.874 HA :: 4.431 HB2 :: 3.957 HB3 :: 3.957 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.098 Ave N Shift Values>> N :: 116.3(3.95) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.21 C 0.03 L 0.01 C Shift Assignments>> C :: 174.135 CA :: 52.703 CB :: 19.636 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.990 HA :: 4.321 HB1 :: 1.282 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.119 Ave N Shift Values>> N :: 123.23(3.7) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.35 C 0.27 HN Overlap>> 1.V56 1.V3 1.V56 1.V3 C Shift Assignments>> C :: 176.736 CA :: 55.939 CB :: 39.460 CD1 :: 132.079 CE1 :: 130.000 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 :: 7.931 HA :: 4.862 HB2 :: 3.164 HB3 :: 2.966 HD1 :: 7.308 HD2 :: 7.308 HE1 :: 7.284 HE2 :: 7.284 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 :: 119.501 Ave N Shift Values>> N :: 120.69(4.18) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.369 CB :: 32.210 CG :: 27.691 CD :: 51.095 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 :: 4.517 HB2 :: 2.256 HB3 :: 1.953 HG2 :: 2.018 HG3 :: 1.994 HD2 :: 3.772 HD3 :: 3.517 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.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.22 M 0.01 C Shift Assignments>> C :: 176.879 CA :: 62.740 CB :: 33.082 CG1 :: 21.607 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 :: 8.228 HA :: 4.148 HB :: 2.117 HG11 :: 0.984 HG12 :: 0.984 HG13 :: 0.984 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 :: 120.262 Ave N Shift Values>> N :: 121.02(4.96) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.24 C 0.14 Y 0.08 F 0.08 L 0.06 C Shift Assignments>> C :: 176.429 CA :: 53.535 CB :: 39.342 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 :: 8.484 HA :: 4.780 HB2 :: 2.876 HB3 :: 2.819 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 :: 121.655 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 175.723 CA :: 46.022 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.403 HA2 :: 3.969 HA3 :: 3.969 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.767 Ave N Shift Values>> N :: 109.91(4.29) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.25 C 0.03 L 0.01 C Shift Assignments>> C :: 174.017 CA :: 53.182 CB :: 19.721 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.114 HA :: 4.325 HB1 :: 1.407 HB2 :: 1.407 HB3 :: 1.407 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.191 Ave N Shift Values>> N :: 123.23(3.7) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.19 K 0.14 C 0.11 F 0.09 Y 0.08 N 0.07 R 0.03 HN Overlap>> 1.V39 1.V39 C Shift Assignments>> C :: 177.554 CA :: 54.750 CB :: 41.198 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 :: 8.274 HA :: 4.563 HB2 :: 2.695 HB3 :: 2.619 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 :: 118.703 Ave N Shift Values>> N :: 120.73(4.2) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 R 0.2 K 0.17 C 0.1 D 0.1 F 0.07 Y 0.05 G 0.01 C Shift Assignments>> C :: 176.419 CA :: 56.007 CB :: 42.559 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 :: 7.963 HA :: 4.256 HB2 :: 1.529 HB3 :: 1.451 HG :: 1.688 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 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 :: 121.676 Ave N Shift Values>> N :: 121.98(4.07) 1.Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 177.181 CA :: 58.681 CB :: 38.663 CD1 :: 133.562 CE1 :: 118.518 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 :: 8.047 HA :: 4.522 HB2 :: 3.116 HB3 :: 3.013 HD1 :: 7.162 HD2 :: 7.162 HE1 :: 6.867 HE2 :: 6.867 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 :: 119.350 Ave N Shift Values>> N :: 120.79(4.69) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 E 0.16 H 0.15 C 0.15 Q 0.13 M 0.08 K 0.08 I 0.02 V 0.02 HN Overlap>> 1.K76 1.K76 C Shift Assignments>> C :: 176.163 CA :: 57.217 CB :: 30.483 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 :: 8.096 HA :: 4.214 HB2 :: 1.989 HB3 :: 1.968 HG2 :: 2.256 HG3 :: 2.256 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 :: 121.555 Ave N Shift Values>> N :: 120.68(3.68) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 R 0.16 H 0.15 C 0.14 Q 0.13 K 0.08 M 0.07 I 0.02 V 0.02 HN Overlap>> 1.L57 1.A40 1.L57 1.A40 C Shift Assignments>> C :: 176.803 CA :: 57.472 CB :: 30.361 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 :: 8.358 HA :: 4.201 HB2 :: 2.276 HB3 :: 2.025 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 :: 121.188 Ave N Shift Values>> N :: 120.68(3.68) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.19 K 0.16 D 0.12 C 0.1 F 0.07 Y 0.05 G 0.01 N 0.01 C Shift Assignments>> C :: 176.945 CA :: 55.599 CB :: 42.556 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 :: 8.160 HA :: 4.370 HB2 :: 1.685 HB3 :: 1.634 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 HD21 :: 0.904 HD22 :: 0.904 HD23 :: 0.904 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 :: 122.059 Ave N Shift Values>> N :: 121.98(4.07) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.19 M 0.19 Q 0.19 R 0.06 H 0.06 E 0.04 V 0.03 HN Overlap>> 1.E73 1.E73 C Shift Assignments>> C :: 177.676 CA :: 56.628 CB :: 33.304 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 :: 8.186 HA :: 4.433 HB2 :: 1.898 HB3 :: 1.813 HG2 :: 1.499 HG3 :: 1.456 HD2 :: 1.715 HD3 :: 1.715 HE2 :: 3.025 HE3 :: 3.025 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 :: 121.494 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 177.066 CA :: 62.311 CB :: 70.161 CG2 :: 21.805 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 :: 8.046 HA :: 4.391 HB :: 4.286 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 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 :: 114.021 Ave N Shift Values>> N :: 115.7(5.05) 1.S78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 62.189 CB :: 69.861 CG2 :: 21.899 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>> HA :: 4.471 HB :: 4.257 HG21 :: 1.281 HG22 :: 1.281 HG23 :: 1.281 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) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.22 C 0.03 L 0.01 C Shift Assignments>> C :: 174.267 CA :: 52.811 CB :: 19.674 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.167 HA :: 4.361 HB1 :: 1.390 HB2 :: 1.390 HB3 :: 1.390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.290 Ave N Shift Values>> N :: 123.23(3.7) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 177.391 CA :: 61.363 CB :: 38.889 CG1 :: 27.614 CG2 :: 17.810 CD1 :: 13.028 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 :: 8.057 HA :: 4.179 HB :: 1.888 HG12 :: 1.520 HG13 :: 1.223 HG21 :: 0.942 HG22 :: 0.942 HG23 :: 0.942 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 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 :: 120.063 Ave N Shift Values>> N :: 121.6(4.72) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 L 0.28 R 0.21 C 0.15 G 0.01 C Shift Assignments>> C :: 176.156 CA :: 55.399 CB :: 42.490 CG :: 25.285 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 :: 8.292 HA :: 4.490 HB2 :: 1.685 HB3 :: 1.669 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 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 :: 126.851 Ave N Shift Values>> N :: 121.98(4.07) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 HN Overlap>> 1.D30 1.D30 C Shift Assignments>> C :: 178.137 CA :: 60.197 CB :: 65.161 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.855 HA :: 4.285 HB2 :: 3.866 HB3 :: 3.866 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.316 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 83 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 82 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 83 #Suspicious: 0 C Shift Results: #Consistent: 333 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 587 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 80 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0