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 0.49 C 0.39 A 0.1 C Shift Assignments>> CA :: 56.037 CB :: 32.791 CG :: 32.571 CE :: 17.293 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.505 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.506 HG3 :: 2.629 HE1 :: 1.966 HE2 :: 1.966 HE3 :: 1.966 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 I 0.16 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.593 CA :: 59.397 CB :: 29.664 CG :: 36.436 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.789 HA :: 3.990 HB2 :: 2.007 HB3 :: 2.167 HG2 :: 2.243 HG3 :: 2.448 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.681 Ave N Shift Values>> N :: 120.67(3.48) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 C 0.17 Y 0.17 F 0.13 D 0.08 E 0.06 L 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 177.040 CA :: 55.098 CB :: 38.042 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.368 HA :: 4.616 HB2 :: 2.801 HB3 :: 2.883 HD21 :: 7.693 HD22 :: 6.907 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.111 ND2 :: 111.742 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.43 K 0.02 R 0.01 G 0.01 C Shift Assignments>> C :: 177.900 CA :: 58.418 CB :: 42.098 CD1 :: 25.427 CD2 :: 25.512 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.833 HA :: 4.013 HB2 :: 1.738 HB3 :: 1.694 HD11 :: 0.979 HD12 :: 0.979 HD13 :: 0.979 HD21 :: 0.915 HD22 :: 0.915 HD23 :: 0.915 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.600 Ave N Shift Values>> N :: 121.86(3.9) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.44 R 0.06 C Shift Assignments>> C :: 178.864 CA :: 59.829 CB :: 31.730 CG :: 24.910 CD :: 29.400 CE :: 41.946 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.907 HA :: 3.899 HB2 :: 1.757 HB3 :: 1.798 HG2 :: 1.340 HG3 :: 1.340 HD2 :: 1.640 HD3 :: 1.640 HE2 :: 2.880 HE3 :: 2.880 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.781 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 W 0.31 H 0.29 C Shift Assignments>> C :: 178.200 CA :: 59.012 CB :: 30.931 CD2 :: 118.367 CE1 :: 138.962 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.667 HA :: 4.380 HB2 :: 3.125 HB3 :: 3.125 HD2 :: 6.901 HE1 :: 7.707 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.129 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 176.500 CA :: 66.075 CB :: 38.513 CG1 :: 30.746 CG2 :: 18.337 CD1 :: 14.542 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.824 HA :: 3.380 HB :: 2.035 HG12 :: 0.705 HG13 :: 1.885 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 HD11 :: 1.010 HD12 :: 1.010 HD13 :: 1.010 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.386 Ave N Shift Values>> N :: 121.46(4.28) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 HN Overlap>> 1.I127 1.I127 C Shift Assignments>> C :: 178.000 CA :: 65.976 CB :: 38.630 CG1 :: 30.116 CG2 :: 17.578 CD1 :: 14.418 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.057 HA :: 3.523 HB :: 1.799 HG12 :: 0.923 HG13 :: 1.703 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 HD11 :: 0.697 HD12 :: 0.697 HD13 :: 0.697 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.765 Ave N Shift Values>> N :: 121.46(4.28) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.300 CA :: 66.988 CB :: 69.057 CG2 :: 21.645 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.148 HA :: 3.833 HB :: 4.146 HG21 :: 1.180 HG22 :: 1.180 HG23 :: 1.180 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.105 Ave N Shift Values>> N :: 115.42(4.75) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.36 R 0.17 G 0.01 HN Overlap>> 1.A68 1.A68 C Shift Assignments>> C :: 178.800 CA :: 57.900 CB :: 42.157 CG :: 27.434 CD1 :: 23.679 CD2 :: 26.398 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.945 HA :: 4.050 HB2 :: 1.684 HB3 :: 1.573 HG :: 1.427 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 HD21 :: 0.748 HD22 :: 0.748 HD23 :: 0.748 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.950 Ave N Shift Values>> N :: 121.86(3.9) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.09 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 174.700 CA :: 47.650 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.552 HA2 :: 3.472 HA3 :: 3.540 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.513 Ave N Shift Values>> N :: 109.67(3.87) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.2 K 0.18 R 0.07 I 0.05 E 0.05 P 0.01 HN Overlap>> 1.N84 1.K104 1.K110 1.N84 1.K104 1.K110 C Shift Assignments>> C :: 179.600 CA :: 59.694 CB :: 27.893 CG :: 34.008 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.994 HA :: 3.948 HB2 :: 1.974 HB3 :: 2.347 HG2 :: 2.271 HG3 :: 2.584 HE21 :: 7.171 HE22 :: 6.598 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.570 NE2 :: 110.582 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.A72 1.A72 C Shift Assignments>> C :: 178.500 CA :: 66.829 CB :: 31.847 CG1 :: 20.850 CG2 :: 23.189 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.358 HA :: 3.629 HB :: 2.286 HG11 :: 0.888 HG12 :: 0.888 HG13 :: 0.888 HG21 :: 1.024 HG22 :: 1.024 HG23 :: 1.024 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.707 Ave N Shift Values>> N :: 121.14(4.54) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 177.700 CA :: 65.967 CB :: 38.130 CG1 :: 30.209 CG2 :: 17.058 CD1 :: 16.056 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.476 HA :: 3.430 HB :: 1.929 HG12 :: 0.790 HG13 :: 1.731 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.008 Ave N Shift Values>> N :: 121.46(4.28) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.43 C 0.36 H 0.19 HN Overlap>> 1.K57 1.K57 C Shift Assignments>> C :: 176.200 CA :: 61.473 CB :: 30.177 CD2 :: 121.488 CE1 :: 137.968 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.196 HA :: 3.853 HB2 :: 3.098 HB3 :: 3.098 HD2 :: 6.724 HE1 :: 7.527 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.872 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.08 C Shift Assignments>> C :: 179.200 CA :: 59.607 CB :: 32.270 CG :: 25.097 CD :: 28.945 CE :: 41.867 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.783 HA :: 3.625 HB2 :: 1.864 HB3 :: 1.864 HG2 :: 1.338 HG3 :: 1.436 HD2 :: 1.591 HD3 :: 1.591 HE2 :: 2.925 HE3 :: 2.925 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.417 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.41 G 0.09 K 0.03 C Shift Assignments>> C :: 180.600 CA :: 59.333 CB :: 30.350 CG :: 27.594 CD :: 43.591 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.340 HA :: 3.918 HB2 :: 1.814 HB3 :: 1.911 HG2 :: 1.649 HG3 :: 1.842 HD2 :: 3.176 HD3 :: 3.176 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.621 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 P 0.37 C 0.09 V 0.01 C Shift Assignments>> C :: 177.300 CA :: 66.005 CB :: 27.690 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.526 HA :: 3.852 HB2 :: 2.528 HB3 :: 3.037 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.030 Ave N Shift Values>> N :: 120.17(4.64) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.12 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 177.100 CA :: 58.432 CB :: 29.450 CG :: 36.430 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.504 HA :: 3.773 HB2 :: 1.899 HB3 :: 1.953 HG2 :: 1.879 HG3 :: 1.910 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.871 Ave N Shift Values>> N :: 120.67(3.48) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 M 0.13 Q 0.06 K 0.05 I 0.01 C Shift Assignments>> C :: 177.100 CA :: 56.057 CB :: 30.449 CG :: 36.212 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.171 HA :: 4.179 HB2 :: 1.907 HB3 :: 2.046 HG2 :: 2.175 HG3 :: 2.391 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.294 Ave N Shift Values>> N :: 120.67(3.48) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.41 A 0.14 C Shift Assignments>> C :: 177.800 CA :: 56.325 CB :: 33.103 CG :: 33.252 CE :: 18.509 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 6.921 HA :: 4.200 HB2 :: 2.321 HB3 :: 2.321 HG2 :: 2.902 HG3 :: 2.950 HE1 :: 2.167 HE2 :: 2.167 HE3 :: 2.167 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.428 Ave N Shift Values>> N :: 120.09(3.57) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.14 C Shift Assignments>> C :: 175.400 CA :: 57.239 CB :: 33.659 CG :: 25.153 CD :: 29.428 CE :: 42.235 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.750 HA :: 3.903 HB2 :: 1.078 HB3 :: 1.253 HG2 :: 1.135 HG3 :: 1.329 HD2 :: 1.544 HD3 :: 1.544 HE2 :: 2.928 HE3 :: 2.928 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.445 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.28 G 0.01 C Shift Assignments>> C :: 173.700 CA :: 55.219 CB :: 41.987 CD1 :: 133.735 CE1 :: 118.138 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.272 HA :: 4.843 HB2 :: 2.745 HB3 :: 3.162 HD1 :: 7.174 HD2 :: 7.174 HE1 :: 6.849 HE2 :: 6.849 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.487 Ave N Shift Values>> N :: 120.52(4.2) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.26 R 0.09 K 0.08 P 0.06 W 0.04 L 0.03 Q 0.02 H 0.01 E 0.01 C Shift Assignments>> C :: 174.700 CA :: 60.571 CB :: 26.102 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.677 HA :: 3.662 HB2 :: 2.781 HB3 :: 2.861 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.360 Ave N Shift Values>> N :: 120.17(4.64) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.37 R 0.09 C Shift Assignments>> C :: 179.800 CA :: 60.734 CB :: 33.447 CG :: 25.838 CD :: 29.458 CE :: 41.821 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.026 HA :: 3.549 HB2 :: 1.619 HB3 :: 1.619 HG2 :: 1.056 HG3 :: 1.176 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.896 HE3 :: 2.896 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.689 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 K 0.26 R 0.24 C Shift Assignments>> C :: 181.300 CA :: 59.271 CB :: 30.205 CG :: 24.720 CD :: 27.817 CE :: 41.881 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 10.578(S) HA :: 3.946 HB2 :: 1.661 HB3 :: 2.109 HG2 :: 1.430 HG3 :: 1.430 HD2 :: 1.572 HD3 :: 1.572 HE2 :: 2.854 HE3 :: 2.854 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.745 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 M 0.29 Q 0.1 E 0.03 C Shift Assignments>> C :: 180.200 CA :: 59.456 CB :: 32.422 CG :: 33.630 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.886 HA :: 3.900 HB2 :: 2.026 HB3 :: 2.333 HG2 :: 1.963 HG3 :: 2.162 HE21 :: 9.237(S) HE22 :: 7.095 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.418 NE2 :: 111.792 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.53 I 0.36 C 0.08 C Shift Assignments>> C :: 176.200 CA :: 64.503 CB :: 26.838 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.537 HA :: 4.170 HB2 :: 2.735 HB3 :: 2.893 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.861 Ave N Shift Values>> N :: 120.17(4.64) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.34 G 0.11 K 0.02 HN Overlap>> 1.V108 1.V108 C Shift Assignments>> C :: 178.900 CA :: 59.459 CB :: 29.181 CG :: 28.258 CD :: 43.594 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.680 HA :: 3.828 HB2 :: 1.799 HB3 :: 1.799 HG2 :: 1.434 HG3 :: 1.434 HD2 :: 2.987 HD3 :: 3.079 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.203 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.39 G 0.11 L 0.02 K 0.01 C Shift Assignments>> C :: 178.000 CA :: 58.347 CB :: 29.000 CG :: 27.523 CD :: 43.736 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.796 HA :: 3.847 HB2 :: 1.772 HB3 :: 1.940 HG2 :: 1.709 HG3 :: 1.709 HD2 :: 2.895 HD3 :: 2.895 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.694 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 L 0.38 C Shift Assignments>> C :: 178.400 CA :: 58.413 CB :: 40.332 CG :: 27.169 CD1 :: 22.812 CD2 :: 25.194 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.307 HA :: 4.002 HB2 :: 1.731 HB3 :: 1.007 HG :: 0.936 HD11 :: 0.449 HD12 :: 0.449 HD13 :: 0.449 HD21 :: -0.288(S) HD22 :: -0.288(S) HD23 :: -0.288(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.548 Ave N Shift Values>> N :: 121.86(3.9) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 A 0.15 G 0.15 C 0.06 N 0.05 D 0.01 HN Overlap>> 1.G74 1.G74 C Shift Assignments>> C :: 175.600 CA :: 48.499 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.973 HA2 :: 3.388 HA3 :: 4.031 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.181 Ave N Shift Values>> N :: 109.67(3.87) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 C 0.36 H 0.27 HN Overlap>> 1.A134 1.A134 C Shift Assignments>> C :: 179.400 CA :: 59.938 CB :: 30.722 CD2 :: 119.220 CE1 :: 138.243 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.344 HA :: 4.191 HB2 :: 3.077 HB3 :: 3.131 HD2 :: 6.890 HE1 :: 7.743 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.454 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R34 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.48 R 0.39 K 0.1 G 0.02 C Shift Assignments>> C :: 179.600 CA :: 59.692 CB :: 30.085 CG :: 27.548 CD :: 42.572 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.642 HA :: 4.182 HB2 :: 1.231 HB3 :: 1.544 HG2 :: 0.900 HG3 :: 1.419 HD2 :: 0.270(A) HD3 :: 2.130(S) HE :: 6.050 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.792 NE :: 88.443 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HD2 > HB2 : 0.9950) (HD2 > HB3 : 0.9951) (HD2 > HG2 : 0.9976) (HD2 > HG3 : 0.9983) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 177.600 CA :: 68.045 CB :: 31.248 CG1 :: 22.998 CG2 :: 23.955 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.493 HA :: 3.379 HB :: 2.111 HG11 :: 0.865 HG12 :: 0.865 HG13 :: 0.865 HG21 :: 0.793 HG22 :: 0.793 HG23 :: 0.793 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.502 Ave N Shift Values>> N :: 121.14(4.54) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 C Shift Assignments>> C :: 179.600 CA :: 57.904 CB :: 41.521 CG :: 26.256 CD1 :: 24.014 CD2 :: 22.770 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.910 HA :: 3.848 HB2 :: 1.483 HB3 :: 1.340 HG :: 1.480 HD11 :: 0.228 HD12 :: 0.228 HD13 :: 0.228 HD21 :: 0.339 HD22 :: 0.339 HD23 :: 0.339 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.277 Ave N Shift Values>> N :: 121.86(3.9) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.700 CA :: 46.860 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.719 HA2 :: 3.714 HA3 :: 3.714 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.675 Ave N Shift Values>> N :: 109.67(3.87) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.42 A 0.08 R 0.03 C Shift Assignments>> C :: 176.900 CA :: 56.714 CB :: 41.778 CG :: 25.965 CD1 :: 26.061 CD2 :: 21.140 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.713 HA :: 3.568 HB2 :: 1.789 HB3 :: 0.938 HG :: 1.771 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 HD21 :: -0.149 HD22 :: -0.149 HD23 :: -0.149 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.554 Ave N Shift Values>> N :: 121.86(3.9) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 178.100 CA :: 62.745 CB :: 38.482 CG1 :: 27.781 CG2 :: 18.958 CD1 :: 14.683 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.554 HA :: 4.188 HB :: 2.093 HG12 :: 1.516 HG13 :: 1.590 HG21 :: 1.019 HG22 :: 1.019 HG23 :: 1.019 HD11 :: 0.886 HD12 :: 0.886 HD13 :: 0.886 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 108.547 Ave N Shift Values>> N :: 121.46(4.28) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.21 R 0.17 G 0.01 C Shift Assignments>> C :: 176.340 CA :: 60.691 CB :: 29.469 CG :: 24.951 CD :: 28.615 CE :: 42.176 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.572 HA :: 4.420 HB2 :: 1.960 HB3 :: 1.960 HG2 :: 1.488 HG3 :: 1.488 HD2 :: 1.656 HD3 :: 1.656 HE2 :: 2.870 HE3 :: 2.870 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.758 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 178.700 CA :: 65.723 CB :: 31.687 CG :: 28.750 CD :: 50.436 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.389 HB2 :: 2.393 HB3 :: 1.749 HG2 :: 2.142 HG3 :: 2.061 HD2 :: 3.843 HD3 :: 3.539 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.47 C Shift Assignments>> C :: 178.800 CA :: 57.299 CB :: 40.407 CG :: 27.160 CD1 :: 26.396 CD2 :: 23.409 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.129 HA :: 4.047 HB2 :: 2.182 HB3 :: 1.463 HG :: 1.986 HD11 :: 0.986 HD12 :: 0.986 HD13 :: 0.986 HD21 :: 0.846 HD22 :: 0.846 HD23 :: 0.846 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.725 Ave N Shift Values>> N :: 121.86(3.9) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.25 E 0.2 M 0.01 C Shift Assignments>> C :: 179.252 CA :: 59.574 CB :: 30.161 CG :: 37.868 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.172 HA :: 3.867 HB2 :: 2.051 HB3 :: 2.254 HG2 :: 2.075 HG3 :: 2.364 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.517 Ave N Shift Values>> N :: 120.67(3.48) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.47 A 0.01 C Shift Assignments>> C :: 178.017 CA :: 57.914 CB :: 32.448 CG :: 32.218 CE :: 17.124 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.623 HA :: 4.236 HB2 :: 2.152 HB3 :: 2.152 HG2 :: 2.556 HG3 :: 2.683 HE1 :: 2.062 HE2 :: 2.062 HE3 :: 2.062 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.605 Ave N Shift Values>> N :: 120.09(3.57) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.35 R 0.08 G 0.01 C Shift Assignments>> C :: 178.385 CA :: 56.960 CB :: 42.292 CG :: 27.172 CD1 :: 25.473 CD2 :: 24.603 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.629 HA :: 4.095 HB2 :: 1.776 HB3 :: 1.681 HG :: 1.721 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.799 HD22 :: 0.799 HD23 :: 0.799 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.037 Ave N Shift Values>> N :: 121.86(3.9) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.23 E 0.11 M 0.04 I 0.02 R 0.01 HN Overlap>> 1.Q48 1.Q48 1.A67 1.A67 C Shift Assignments>> C :: 176.763 CA :: 58.678 CB :: 29.515 CG :: 34.110 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.993 HA :: 4.066 HB2 :: 2.040 HB3 :: 2.151 HG2 :: 2.271 HG3 :: 2.271 HE21 :: 7.456 HE22 :: 6.704 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.881 NE2 :: 109.974 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.22 K 0.14 F 0.12 Y 0.09 C 0.06 N 0.05 R 0.02 HN Overlap>> 1.R87 1.A67 1.R87 1.A67 C Shift Assignments>> C :: 176.985 CA :: 55.325 CB :: 41.232 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.923 HA :: 4.521 HB2 :: 2.652 HB3 :: 2.704 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.999 Ave N Shift Values>> N :: 120.65(3.86) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.25 E 0.1 M 0.04 R 0.02 HN Overlap>> 1.Q46 1.Q46 C Shift Assignments>> C :: 177.200 CA :: 56.632 CB :: 29.291 CG :: 34.100 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.036 HA :: 4.201 HB2 :: 2.025 HB3 :: 2.155 HG2 :: 2.430 HG3 :: 2.430 HE21 :: 7.485 HE22 :: 6.839 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.852 NE2 :: 111.844 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.607 CA :: 46.121 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.238 HA2 :: 3.890 HA3 :: 3.890 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.391 Ave N Shift Values>> N :: 109.67(3.87) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.12 C Shift Assignments>> C :: 176.634 CA :: 56.185 CB :: 32.624 CG :: 25.000 CD :: 29.349 CE :: 42.128 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.081 HA :: 4.381 HB2 :: 1.732 HB3 :: 1.799 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.951 HE3 :: 2.951 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.211 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.37 G 0.08 K 0.06 C Shift Assignments>> C :: 176.192 CA :: 56.172 CB :: 30.844 CG :: 27.500 CD :: 43.501 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.291 HA :: 4.282 HB2 :: 1.806 HB3 :: 1.930 HG2 :: 1.640 HG3 :: 1.640 HD2 :: 3.162 HD3 :: 3.162 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.945 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.796 CA :: 57.918 CB :: 64.456 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.115 HA :: 4.494 HB2 :: 3.717 HB3 :: 3.767 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.941 Ave N Shift Values>> N :: 116.28(3.52) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.47 M 0.01 C Shift Assignments>> C :: 174.681 CA :: 60.395 CB :: 32.627 CG1 :: 20.957 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.398 HA :: 4.280 HB :: 1.981 HG11 :: 0.928 HG12 :: 0.928 HG13 :: 0.928 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.123 Ave N Shift Values>> N :: 121.14(4.54) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 176.600 CA :: 62.768 CB :: 32.502 CG :: 27.600 CD :: 51.000 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.413 HB2 :: 2.035 HB3 :: 1.990 HG2 :: 2.000 HG3 :: 1.850 HD2 :: 3.800 HD3 :: 3.719 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.326 CA :: 58.198 CB :: 64.383 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.955 HA :: 4.328 HB2 :: 3.977 HB3 :: 4.234 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.515 Ave N Shift Values>> N :: 116.28(3.52) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.28 E 0.27 K 0.02 C Shift Assignments>> C :: 179.300 CA :: 60.017 CB :: 29.467 CG :: 36.958 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.002 HA :: 4.143 HB2 :: 2.096 HB3 :: 2.096 HG2 :: 2.246 HG3 :: 2.319 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.939 Ave N Shift Values>> N :: 120.67(3.48) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.4 R 0.12 HN Overlap>> 1.H15 1.H15 C Shift Assignments>> C :: 179.400 CA :: 59.486 CB :: 32.799 CG :: 25.962 CD :: 28.935 CE :: 41.912 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.165 HA :: 4.031 HB2 :: 1.729 HB3 :: 1.792 HG2 :: 1.412 HG3 :: 1.572 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.945 HE3 :: 2.945 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.879 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 L 0.31 R 0.02 HN Overlap>> 1.W133 1.A72 1.W133 1.A72 C Shift Assignments>> C :: 178.200 CA :: 58.324 CB :: 40.690 CG :: 27.839 CD1 :: 24.245 CD2 :: 26.538 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.377 HA :: 4.060 HB2 :: 1.972 HB3 :: 1.496 HG :: 1.495 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 HD21 :: 0.846 HD22 :: 0.846 HD23 :: 0.846 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.905 Ave N Shift Values>> N :: 121.86(3.9) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.800 CA :: 67.780 CB :: 68.440 CG2 :: 22.136 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.685 HA :: 3.736 HB :: 4.270 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.213 Ave N Shift Values>> N :: 115.42(4.75) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.400 CA :: 67.131 CB :: 68.618 CG2 :: 21.743 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.388 HA :: 3.930 HB :: 4.198 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.340 Ave N Shift Values>> N :: 115.42(4.75) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.37 I 0.05 C 0.05 V 0.01 HN Overlap>> 1.A131 1.A131 C Shift Assignments>> C :: 180.081 CA :: 55.771 CB :: 18.832 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.001 HA :: 4.091 HB1 :: 1.365 HB2 :: 1.365 HB3 :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.782 Ave N Shift Values>> N :: 123.23(3.54) 1.M62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 M 0.27 C Shift Assignments>> C :: 178.300 CA :: 59.755 CB :: 32.945 CG :: 33.644 CE :: 17.411 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.863 HA :: 4.078 HB2 :: 1.975 HB3 :: 2.348 HG2 :: 2.303 HG3 :: 2.706 HE1 :: 1.965 HE2 :: 1.965 HE3 :: 1.965 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.350 Ave N Shift Values>> N :: 120.09(3.57) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.21 F 0.15 E 0.14 N 0.1 I 0.04 M 0.04 D 0.03 L 0.01 C Shift Assignments>> C :: 179.159 CA :: 56.286 CB :: 37.640 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.384 HA :: 4.532 HB2 :: 2.826 HB3 :: 3.038 HD21 :: 7.588 HD22 :: 6.907 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.704 ND2 :: 111.440 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.3 G 0.14 K 0.03 C Shift Assignments>> C :: 179.300 CA :: 59.952 CB :: 30.640 CG :: 28.316 CD :: 43.801 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.443 HA :: 4.153 HB2 :: 1.917 HB3 :: 2.027 HG2 :: 1.668 HG3 :: 1.935 HD2 :: 3.199 HD3 :: 3.199 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.612 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.23 Y 0.22 C Shift Assignments>> C :: 176.400 CA :: 60.475 CB :: 39.553 CD1 :: 130.989 CE1 :: 130.897 CZ :: 129.476 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.538 HA :: 4.446 HB2 :: 3.244 HB3 :: 3.345 HD1 :: 7.145 HD2 :: 7.145 HE1 :: 7.178 HE2 :: 7.178 HZ :: 6.949 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.963 Ave N Shift Values>> N :: 120.45(4.18) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.42 R 0.04 C Shift Assignments>> C :: 177.482 CA :: 60.811 CB :: 32.589 CG :: 25.164 CD :: 29.685 CE :: 41.700 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.688 HA :: 3.552 HB2 :: 1.785 HB3 :: 2.108 HG2 :: 1.184 HG3 :: 1.351 HD2 :: 1.629 HD3 :: 1.629 HE2 :: 2.835 HE3 :: 2.835 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.866 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.04 C 0.02 HN Overlap>> 1.Q135 1.D47 1.R87 1.Q46 1.Q135 1.D47 1.R87 1.Q46 C Shift Assignments>> C :: 180.400 CA :: 55.266 CB :: 18.116 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.913 HA :: 4.204 HB1 :: 1.492 HB2 :: 1.492 HB3 :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.932 Ave N Shift Values>> N :: 123.23(3.54) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.04 C 0.02 HN Overlap>> 1.L10 1.L10 C Shift Assignments>> C :: 179.800 CA :: 55.333 CB :: 17.875 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.913 HA :: 4.150 HB1 :: 1.477 HB2 :: 1.477 HB3 :: 1.477 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.024 Ave N Shift Values>> N :: 123.23(3.54) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.26 R 0.11 C Shift Assignments>> C :: 179.200 CA :: 57.756 CB :: 41.630 CG :: 26.158 CD1 :: 23.509 CD2 :: 27.432 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.063 HA :: 3.811 HB2 :: 1.939 HB3 :: 1.019 HG :: 1.155 HD11 :: 0.480 HD12 :: 0.480 HD13 :: 0.480 HD21 :: 0.339 HD22 :: 0.339 HD23 :: 0.339 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.742 Ave N Shift Values>> N :: 121.86(3.9) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.37 E 0.19 K 0.01 C Shift Assignments>> C :: 180.500 CA :: 60.030 CB :: 29.201 CG :: 37.461 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.572 HA :: 3.889 HB2 :: 1.930 HB3 :: 2.203 HG2 :: 2.143 HG3 :: 2.427 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.447 Ave N Shift Values>> N :: 120.67(3.48) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.29 I 0.24 K 0.04 Q 0.01 C Shift Assignments>> C :: 179.600 CA :: 59.900 CB :: 29.386 CG :: 36.660 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.223 HA :: 4.033 HB2 :: 2.147 HB3 :: 2.147 HG2 :: 2.039 HG3 :: 2.399 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.078 Ave N Shift Values>> N :: 120.67(3.48) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.17 I 0.07 C 0.02 HN Overlap>> 1.V13 1.L58 1.W133 1.V13 1.L58 1.W133 C Shift Assignments>> C :: 178.500 CA :: 55.928 CB :: 17.288 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.357 HA :: 3.848 HB1 :: 1.373 HB2 :: 1.373 HB3 :: 1.373 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.800 Ave N Shift Values>> N :: 123.23(3.54) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.23 C 0.15 D 0.11 N 0.09 L 0.06 I 0.04 E 0.01 C Shift Assignments>> C :: 177.482 CA :: 56.442 CB :: 39.009 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.481 HA :: 4.402 HB2 :: 2.472 HB3 :: 2.877 HD21 :: 7.453 HD22 :: 6.370 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.649 ND2 :: 109.983 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 HN Overlap>> 1.G32 1.G32 C Shift Assignments>> C :: 177.100 CA :: 47.099 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.016 HA2 :: 3.838 HA3 :: 3.950 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.250 Ave N Shift Values>> N :: 109.67(3.87) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.1 K 0.05 M 0.03 Q 0.03 C Shift Assignments>> C :: 178.500 CA :: 58.715 CB :: 29.868 CG :: 36.385 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.059 HA :: 4.075 HB2 :: 2.247 HB3 :: 2.326 HG2 :: 2.403 HG3 :: 2.403 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.325 Ave N Shift Values>> N :: 120.67(3.48) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 HN Overlap>> 1.D154 1.D154 C Shift Assignments>> C :: 178.300 CA :: 65.639 CB :: 37.794 CG1 :: 29.154 CG2 :: 18.064 CD1 :: 16.828 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.335 HA :: 3.775 HB :: 1.970 HG12 :: 0.984 HG13 :: 1.566 HG21 :: 0.870 HG22 :: 0.870 HG23 :: 0.870 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.296 Ave N Shift Values>> N :: 121.46(4.28) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.29 I 0.14 K 0.1 Q 0.07 M 0.01 C Shift Assignments>> C :: 180.200 CA :: 59.700 CB :: 29.256 CG :: 35.669 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.833 HA :: 3.920 HB2 :: 2.044 HB3 :: 2.044 HG2 :: 2.206 HG3 :: 2.206 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.274 Ave N Shift Values>> N :: 120.67(3.48) 1.K78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 K 0.43 R 0.02 C Shift Assignments>> C :: 179.200 CA :: 60.037 CB :: 32.339 CG :: 24.174 CD :: 29.465 CE :: 41.475 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.711 HA :: 3.852 HB2 :: 1.479 HB3 :: 1.588 HG2 :: 0.489(S) HG3 :: 1.170 HD2 :: 1.196 HD3 :: 1.292 HE2 :: 2.307 HE3 :: 2.453 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.462 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 F 0.37 Y 0.14 C Shift Assignments>> C :: 174.100 CA :: 58.304 CB :: 36.984 CD1 :: 130.274 CE1 :: 131.106 CZ :: 129.942 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.160 HA :: 4.642 HB2 :: 2.675 HB3 :: 3.279 HD1 :: 6.741 HD2 :: 6.741 HE1 :: 6.842 HE2 :: 6.842 HZ :: 6.542 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.784 Ave N Shift Values>> N :: 120.45(4.18) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.700 CA :: 60.734 CB :: 63.712 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.649 HA :: 4.454 HB2 :: 4.034 HB3 :: 4.084 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.079 Ave N Shift Values>> N :: 116.28(3.52) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.34 L 0.12 C 0.06 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 175.178 CA :: 52.384 CB :: 40.386 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.267 HA :: 4.929 HB2 :: 2.836 HB3 :: 2.981 HD21 :: 7.674 HD22 :: 7.021 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.440 ND2 :: 113.318 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 R 0.39 G 0.07 K 0.05 C Shift Assignments>> C :: 177.700 CA :: 59.896 CB :: 30.246 CG :: 27.807 CD :: 43.338 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.390 HA :: 3.549 HB2 :: 1.725 HB3 :: 1.725 HG2 :: 1.108 HG3 :: 1.500 HD2 :: 2.954 HD3 :: 2.993 HE :: 9.966(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.019 NE :: 84.932 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.100 CA :: 62.346 CB :: 61.936 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.406 HA :: 3.892 HB2 :: 4.180 HB3 :: 4.180 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.499 Ave N Shift Values>> N :: 116.28(3.52) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.2 C 0.2 Y 0.17 F 0.13 E 0.12 D 0.05 M 0.04 I 0.02 L 0.01 HN Overlap>> 1.K104 1.Q12 1.K104 1.Q12 C Shift Assignments>> C :: 178.206 CA :: 55.479 CB :: 37.655 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.963 HA :: 4.558 HB2 :: 2.538 HB3 :: 3.232 HD21 :: 8.212 HD22 :: 7.173 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.619 ND2 :: 113.069 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 176.900 CA :: 64.757 CB :: 37.347 CG1 :: 29.012 CG2 :: 18.070 CD1 :: 14.124 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.752 HA :: 3.775 HB :: 1.963 HG12 :: 0.959 HG13 :: 1.485 HG21 :: 0.389 HG22 :: 0.389 HG23 :: 0.389 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.120 Ave N Shift Values>> N :: 121.46(4.28) 1.C86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 I 0.36 C 0.09 C Shift Assignments>> C :: 177.400 CA :: 63.950 CB :: 26.908 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.330 HA :: 3.889 HB2 :: 3.032 HB3 :: 3.032 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.200 Ave N Shift Values>> N :: 120.17(4.64) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.39 G 0.09 K 0.04 HN Overlap>> 1.D47 1.D47 1.A67 1.A67 C Shift Assignments>> C :: 178.500 CA :: 59.660 CB :: 30.428 CG :: 27.848 CD :: 43.558 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.897 HA :: 3.982 HB2 :: 1.915 HB3 :: 1.915 HG2 :: 1.608 HG3 :: 1.774 HD2 :: 3.157 HD3 :: 3.212 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.031 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.33 C 0.16 C Shift Assignments>> C :: 177.200 CA :: 61.765 CB :: 39.946 CD1 :: 132.099 CE1 :: 131.119 CZ :: 129.391 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.750 HA :: 4.172 HB2 :: 3.036 HB3 :: 3.332 HD1 :: 6.963 HD2 :: 6.963 HE1 :: 7.074 HE2 :: 7.074 HZ :: 7.050 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.216 Ave N Shift Values>> N :: 120.45(4.18) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.38 R 0.1 HN Overlap>> 1.D100 1.D100 C Shift Assignments>> C :: 178.700 CA :: 57.511 CB :: 41.732 CG :: 27.154 CD1 :: 22.848 CD2 :: 26.380 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.590 HA :: 3.591 HB2 :: 1.621 HB3 :: 1.145 HG :: 1.645 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 HD21 :: 0.332 HD22 :: 0.332 HD23 :: 0.332 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.900 Ave N Shift Values>> N :: 121.86(3.9) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 174.900 CA :: 65.365 CB :: 69.498 CG2 :: 21.653 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.675 HA :: 3.946 HB :: 4.146 HG21 :: 1.189 HG22 :: 1.189 HG23 :: 1.189 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.054 Ave N Shift Values>> N :: 115.42(4.75) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.06 C 0.03 L 0.03 C Shift Assignments>> C :: 177.500 CA :: 53.097 CB :: 20.044 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.206 HA :: 4.230 HB1 :: 1.301 HB2 :: 1.301 HB3 :: 1.301 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.263 Ave N Shift Values>> N :: 123.23(3.54) 1.S92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.344 CA :: 57.421 CB :: 64.092 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.506 HA :: 4.084 HB2 :: 3.036(S) HB3 :: 3.036 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.869 Ave N Shift Values>> N :: 116.28(3.52) 1.Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.28 K 0.26 E 0.09 M 0.03 R 0.03 I 0.01 C Shift Assignments>> C :: 176.700 CA :: 57.767 CB :: 29.203 CG :: 34.000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.736 HA :: 4.092 HB2 :: 2.138 HB3 :: 2.138 HG2 :: 2.393 HG3 :: 2.393 HE21 :: 7.493 HE22 :: 6.833 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.781 NE2 :: 112.046 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.26 K 0.15 F 0.07 N 0.05 R 0.05 Y 0.05 C 0.04 C Shift Assignments>> C :: 176.303 CA :: 54.153 CB :: 41.827 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.777 HA :: 4.520 HB2 :: 2.522 HB3 :: 2.789 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.341 Ave N Shift Values>> N :: 120.65(3.86) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.15 E 0.15 W 0.14 R 0.14 C 0.12 M 0.05 K 0.03 I 0.01 C Shift Assignments>> CA :: 56.625 CB :: 29.793 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.290 HA :: 3.544 HB2 :: 1.882 HB3 :: 1.882 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.139 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 177.000 CA :: 60.904 CB :: 38.046 CG1 :: 27.283 CG2 :: 19.051 CD1 :: 13.581 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.794 HA :: 4.283 HB :: 1.637 HG12 :: 1.510 HG13 :: 0.655 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.702 Ave N Shift Values>> N :: 121.46(4.28) 1.L97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.52 C 0.4 G 0.06 R 0.01 C Shift Assignments>> C :: 177.200 CA :: 58.146 CB :: 43.058 CG :: 26.115 CD1 :: 23.366 CD2 :: 24.362 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.613 HA :: 3.072 HB2 :: 0.445(S) HB3 :: 0.147(S) HG :: 0.052(S) HD11 :: -0.467(S) HD12 :: -0.467(S) HD13 :: -0.467(S) HD21 :: -0.314(S) HD22 :: -0.314(S) HD23 :: -0.314(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 131.063 Ave N Shift Values>> N :: 121.86(3.9) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.3 C 0.27 C Shift Assignments>> C :: 175.400 CA :: 55.796 CB :: 37.651 CD1 :: 131.473 CE1 :: 131.425 CZ :: 129.021 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.429 HA :: 5.059 HB2 :: 2.582 HB3 :: 3.343 HD1 :: 7.064 HD2 :: 7.064 HE1 :: 7.039 HE2 :: 7.039 HZ :: 6.955 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 113.590 Ave N Shift Values>> N :: 120.45(4.18) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.39 R 0.02 G 0.01 C Shift Assignments>> C :: 178.900 CA :: 61.142 CB :: 33.603 CG :: 24.414 CD :: 29.724 CE :: 42.041 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.773 HA :: 3.836 HB2 :: 1.797 HB3 :: 1.848 HG2 :: 1.347 HG3 :: 1.569 HD2 :: 1.762 HD3 :: 1.762 HE2 :: 2.927 HE3 :: 2.927 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.435 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.11 L 0.1 K 0.07 D 0.07 I 0.07 HN Overlap>> 1.L89 1.L89 C Shift Assignments>> C :: 179.000 CA :: 57.998 CB :: 40.605 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.518 HA :: 4.575 HB2 :: 2.657 HB3 :: 2.735 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.815 Ave N Shift Values>> N :: 120.65(3.86) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 HN Overlap>> 1.Q129 1.Q129 C Shift Assignments>> C :: 177.100 CA :: 65.781 CB :: 32.369 CG1 :: 21.273 CG2 :: 23.642 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.206 HA :: 3.808 HB :: 2.119 HG11 :: 0.920 HG12 :: 0.920 HG13 :: 0.920 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.472 Ave N Shift Values>> N :: 121.14(4.54) 1.N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.2 F 0.18 N 0.1 E 0.09 D 0.05 I 0.05 M 0.02 L 0.02 C Shift Assignments>> C :: 178.500 CA :: 56.380 CB :: 37.999 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.057 HA :: 4.521 HB2 :: 2.874 HB3 :: 2.934 HD21 :: 7.780 HD22 :: 5.584 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.935 ND2 :: 105.879 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.41 G 0.07 K 0.05 C Shift Assignments>> C :: 177.995 CA :: 59.361 CB :: 29.745 CG :: 26.834 CD :: 43.347 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.638 HA :: 4.131 HB2 :: 2.004 HB3 :: 2.100 HG2 :: 1.724 HG3 :: 1.724 HD2 :: 3.215 HD3 :: 3.292 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.761 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.34 R 0.15 HN Overlap>> 1.N84 1.N84 1.Q12 1.Q12 C Shift Assignments>> C :: 179.454 CA :: 60.278 CB :: 32.501 CG :: 26.032 CD :: 29.657 CE :: 42.056 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.944 HA :: 4.147 HB2 :: 1.895 HB3 :: 1.992 HG2 :: 1.469 HG3 :: 1.635 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.934 HE3 :: 2.934 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.658 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.4 R 0.13 G 0.02 C Shift Assignments>> C :: 178.400 CA :: 58.588 CB :: 42.528 CG :: 27.049 CD1 :: 26.249 CD2 :: 23.964 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.990 HA :: 4.015 HB2 :: 2.250 HB3 :: 1.482 HG :: 1.882 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 HD21 :: 0.690 HD22 :: 0.690 HD23 :: 0.690 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.264 Ave N Shift Values>> N :: 121.86(3.9) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.500 CA :: 61.619 CB :: 62.898 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.030 HA :: 3.795 HB2 :: 3.654 HB3 :: 3.766 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.056 Ave N Shift Values>> N :: 116.28(3.52) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 L 0.11 C 0.11 K 0.1 D 0.08 I 0.06 C Shift Assignments>> C :: 179.700 CA :: 57.893 CB :: 40.791 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.439 HA :: 4.400 HB2 :: 2.664 HB3 :: 2.896 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.932 Ave N Shift Values>> N :: 120.65(3.86) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> 1.R29 1.R29 C Shift Assignments>> C :: 178.293 CA :: 65.761 CB :: 31.590 CG1 :: 23.246 CG2 :: 22.374 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.730 HA :: 3.974 HB :: 2.275 HG11 :: 1.166 HG12 :: 1.166 HG13 :: 1.166 HG21 :: 1.041 HG22 :: 1.041 HG23 :: 1.041 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.216 Ave N Shift Values>> N :: 121.14(4.54) 1.W109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.43 C Shift Assignments>> C :: 178.000 CA :: 60.400 CB :: 29.704 CD1 :: 126.375 CE3 :: 120.535 CZ2 :: 114.106 CZ3 :: 121.762 CH2 :: 124.519 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.710 HA :: 4.249 HB2 :: 3.274 HB3 :: 3.361 HD1 :: 6.872 HE1 :: 9.896 HE3 :: 6.913 HZ2 :: 7.285 HZ3 :: 6.607 HH2 :: 6.921 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.918 NE1 :: 127.384 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.39 R 0.09 G 0.01 HN Overlap>> 1.Q12 1.Q12 C Shift Assignments>> C :: 178.000 CA :: 60.632 CB :: 32.233 CG :: 25.245 CD :: 29.649 CE :: 42.260 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.986 HA :: 3.607 HB2 :: 1.892 HB3 :: 1.941 HG2 :: 1.352 HG3 :: 1.569 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.882 HE3 :: 2.882 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.504 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.38 I 0.07 M 0.06 K 0.03 Q 0.03 C Shift Assignments>> C :: 178.400 CA :: 58.928 CB :: 30.423 CG :: 36.335 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.001 HA :: 3.986 HB2 :: 2.031 HB3 :: 2.031 HG2 :: 2.078 HG3 :: 2.281 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.619 Ave N Shift Values>> N :: 120.67(3.48) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.39 R 0.1 G 0.01 C Shift Assignments>> C :: 177.600 CA :: 57.980 CB :: 42.451 CG :: 26.850 CD1 :: 24.601 CD2 :: 26.033 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.383 HA :: 3.700 HB2 :: 1.356 HB3 :: 1.233 HG :: 1.163 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 HD21 :: 0.514 HD22 :: 0.514 HD23 :: 0.514 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.057 Ave N Shift Values>> N :: 121.86(3.9) 1.S113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.300 CA :: 61.804 CB :: 61.896 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.462 HA :: 3.182 HB2 :: 2.485(S) HB3 :: 2.918(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.021 Ave N Shift Values>> N :: 116.28(3.52) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.42 R 0.07 C Shift Assignments>> C :: 179.100 CA :: 58.159 CB :: 41.993 CG :: 27.118 CD1 :: 24.514 CD2 :: 25.794 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.791 HA :: 3.994 HB2 :: 1.605 HB3 :: 1.605 HG :: 1.597 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 HD21 :: 0.691 HD22 :: 0.691 HD23 :: 0.691 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.478 Ave N Shift Values>> N :: 121.86(3.9) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.24 L 0.23 G 0.07 C Shift Assignments>> C :: 179.600 CA :: 58.111 CB :: 43.230 CG :: 27.110 CD1 :: 23.054 CD2 :: 26.858 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.279 HA :: 4.014 HB2 :: 1.785 HB3 :: 1.254 HG :: 1.730 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.656 HD22 :: 0.656 HD23 :: 0.656 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.106 Ave N Shift Values>> N :: 121.86(3.9) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.46 R 0.06 C Shift Assignments>> C :: 179.141 CA :: 57.797 CB :: 41.635 CG :: 26.838 CD1 :: 23.690 CD2 :: 26.294 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.413 HA :: 3.803 HB2 :: 1.785 HB3 :: 1.306 HG :: 1.619 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: 0.598 HD22 :: 0.598 HD23 :: 0.598 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.654 Ave N Shift Values>> N :: 121.86(3.9) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.24 K 0.23 E 0.11 I 0.03 R 0.02 M 0.02 C Shift Assignments>> C :: 178.200 CA :: 58.961 CB :: 29.107 CG :: 34.221 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.951 HA :: 4.286 HB2 :: 2.135 HB3 :: 2.170 HG2 :: 2.234 HG3 :: 2.427 HE21 :: 7.205 HE22 :: 6.734 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.143 NE2 :: 110.751 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.900 CA :: 65.518 CB :: 32.992 CG1 :: 22.264 CG2 :: 21.267 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.110 HA :: 3.798 HB :: 2.045 HG11 :: 1.021 HG12 :: 1.021 HG13 :: 1.021 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.600 Ave N Shift Values>> N :: 121.14(4.54) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.37 I 0.07 M 0.07 K 0.01 C Shift Assignments>> C :: 177.700 CA :: 58.539 CB :: 30.781 CG :: 37.004 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.595 HA :: 4.260 HB2 :: 2.030 HB3 :: 2.139 HG2 :: 2.158 HG3 :: 2.419 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.946 Ave N Shift Values>> N :: 120.67(3.48) 1.Q120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.29 C 0.21 R 0.06 M 0.05 E 0.03 C Shift Assignments>> C :: 174.700 CA :: 54.736 CB :: 28.781 CG :: 33.613 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.324 HA :: 4.419 HB2 :: 2.066 HB3 :: 2.408 HG2 :: 2.071 HG3 :: 2.160 HE21 :: 7.150 HE22 :: 6.715 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.246 NE2 :: 110.720 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.34 L 0.18 G 0.08 K 0.02 C Shift Assignments>> C :: 175.600 CA :: 56.717 CB :: 27.780 CG :: 27.551 CD :: 43.415 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.410 HA :: 4.094 HB2 :: 1.832 HB3 :: 1.908 HG2 :: 1.495 HG3 :: 1.495 HD2 :: 3.143 HD3 :: 3.143 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.800 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 A 0.39 C 0.2 C Shift Assignments>> C :: 174.054 CA :: 53.753 CB :: 34.451 CG :: 32.063 CE :: 17.784 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.755 HA :: 4.612 HB2 :: 1.595 HB3 :: 1.773 HG2 :: 2.479 HG3 :: 2.479 HE1 :: 2.001 HE2 :: 2.001 HE3 :: 2.001 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.009 Ave N Shift Values>> N :: 120.09(3.57) 1.P123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.300 CA :: 62.958 CB :: 31.371 CG :: 27.659 CD :: 50.813 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.438 HB2 :: 2.140 HB3 :: 1.885 HG2 :: 1.948 HG3 :: 1.948 HD2 :: 3.824 HD3 :: 3.622 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.800 CA :: 61.788 CB :: 33.426 CG1 :: 21.680 CG2 :: 20.965 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.062 HA :: 4.062 HB :: 1.943 HG11 :: 0.837 HG12 :: 0.837 HG13 :: 0.837 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.957 Ave N Shift Values>> N :: 121.14(4.54) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.114 CA :: 56.296 CB :: 63.769 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.417 HA :: 4.751 HB2 :: 3.841 HB3 :: 3.841 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.207 Ave N Shift Values>> N :: 116.28(3.52) 1.P126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.100 CA :: 63.695 CB :: 32.224 CG :: 27.754 CD :: 50.989 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.440 HB2 :: 2.214 HB3 :: 2.214 HG2 :: 1.959 HG3 :: 1.959 HD2 :: 3.774 HD3 :: 3.713 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 1.I8 1.I8 C Shift Assignments>> C :: 176.300 CA :: 61.569 CB :: 38.759 CG1 :: 27.534 CG2 :: 17.776 CD1 :: 13.245 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.012 HA :: 4.094 HB :: 1.765 HG12 :: 1.063 HG13 :: 1.327 HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 HD11 :: 0.681 HD12 :: 0.681 HD13 :: 0.681 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.775 Ave N Shift Values>> N :: 121.46(4.28) 1.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.600 CA :: 58.565 CB :: 63.697 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.189 HA :: 4.347 HB2 :: 3.776 HB3 :: 3.815 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.734 Ave N Shift Values>> N :: 116.28(3.52) 1.Q129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.26 E 0.08 R 0.03 M 0.03 I 0.01 HN Overlap>> 1.V101 1.V101 C Shift Assignments>> C :: 176.200 CA :: 57.889 CB :: 29.100 CG :: 33.951 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.306 HA :: 4.159 HB2 :: 1.821 HB3 :: 1.821 HG2 :: 2.170 HG3 :: 2.170 HE21 :: 7.275 HE22 :: 6.620 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.493 NE2 :: 111.544 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 175.100 CA :: 45.409 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.138 HA2 :: 2.970 HA3 :: 3.569 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.162 Ave N Shift Values>> N :: 109.67(3.87) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.21 C 0.02 HN Overlap>> 1.A61 1.A61 C Shift Assignments>> C :: 178.700 CA :: 53.902 CB :: 19.082 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.057 HA :: 4.205 HB1 :: 1.374 HB2 :: 1.374 HB3 :: 1.374 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.751 Ave N Shift Values>> N :: 123.23(3.54) 1.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.700 CA :: 58.772 CB :: 63.999 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.324 HA :: 4.529 HB2 :: 3.942 HB3 :: 4.088 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.295 Ave N Shift Values>> N :: 116.28(3.52) 1.W133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 HN Overlap>> 1.L58 1.L58 1.A72 1.A72 C Shift Assignments>> C :: 178.200 CA :: 59.005 CB :: 29.037 CD1 :: 124.080 CE3 :: 121.507 CZ2 :: 113.728 CZ3 :: 121.501 CH2 :: 123.089 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.418 HA :: 4.489 HB2 :: 3.125 HB3 :: 3.125 HD1 :: 6.946 HE1 :: 9.969 HE3 :: 7.462 HZ2 :: 7.228 HZ3 :: 7.201 HH2 :: 6.749 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.866 NE1 :: 127.797 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.28 I 0.06 C 0.03 HN Overlap>> 1.H33 1.H33 C Shift Assignments>> C :: 180.700 CA :: 55.752 CB :: 18.126 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.386 HA :: 4.195 HB1 :: 1.456 HB2 :: 1.456 HB3 :: 1.456 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.478 Ave N Shift Values>> N :: 123.23(3.54) 1.Q135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 K 0.22 E 0.1 R 0.04 I 0.04 M 0.01 HN Overlap>> 1.A67 1.A67 C Shift Assignments>> C :: 179.200 CA :: 58.981 CB :: 28.461 CG :: 34.272 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.838 HA :: 4.055 HB2 :: 2.102 HB3 :: 2.155 HG2 :: 2.388 HG3 :: 2.388 HE21 :: 7.509 HE22 :: 6.844 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.881 NE2 :: 111.845 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.37 I 0.1 K 0.04 M 0.04 Q 0.02 C Shift Assignments>> C :: 177.800 CA :: 59.194 CB :: 30.178 CG :: 36.352 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.715 HA :: 3.780 HB2 :: 1.526 HB3 :: 1.884 HG2 :: 2.087 HG3 :: 2.449 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.900 Ave N Shift Values>> N :: 120.67(3.48) 1.D137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.12 L 0.11 D 0.1 I 0.06 K 0.03 N 0.02 C Shift Assignments>> C :: 178.100 CA :: 57.446 CB :: 40.253 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.778 HA :: 4.418 HB2 :: 2.600 HB3 :: 2.882 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.144 Ave N Shift Values>> N :: 120.65(3.86) 1.Q138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.24 Q 0.24 E 0.07 R 0.04 I 0.03 M 0.01 C Shift Assignments>> C :: 178.400 CA :: 59.096 CB :: 28.664 CG :: 34.001 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.497 HA :: 3.850 HB2 :: 2.155 HB3 :: 2.155 HG2 :: 2.378 HG3 :: 2.462 HE21 :: 7.482 HE22 :: 6.896 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.856 NE2 :: 113.038 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.24 K 0.23 E 0.09 R 0.04 I 0.03 M 0.01 C Shift Assignments>> C :: 178.900 CA :: 58.900 CB :: 28.600 CG :: 34.189 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.512 HA :: 4.074 HB2 :: 2.156 HB3 :: 2.156 HG2 :: 2.430 HG3 :: 2.492 HE21 :: 7.478 HE22 :: 6.901 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.420 NE2 :: 113.027 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 L 0.14 K 0.12 D 0.11 C 0.1 I 0.04 N 0.01 C Shift Assignments>> C :: 177.700 CA :: 57.444 CB :: 40.868 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.106 HA :: 3.981 HB2 :: 2.092 HB3 :: 2.772 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.597 Ave N Shift Values>> N :: 120.65(3.86) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.24 C 0.06 L 0.03 V 0.02 I 0.01 C Shift Assignments>> C :: 180.800 CA :: 55.042 CB :: 19.643 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.702 HA :: 4.211 HB1 :: 1.362 HB2 :: 1.362 HB3 :: 1.362 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.867 Ave N Shift Values>> N :: 123.23(3.54) 1.D142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.21 Y 0.16 L 0.14 C 0.08 D 0.07 R 0.04 I 0.03 C Shift Assignments>> C :: 178.600 CA :: 57.833 CB :: 41.480 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.833 HA :: 4.390 HB2 :: 2.694 HB3 :: 2.837 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.138 Ave N Shift Values>> N :: 120.65(3.86) 1.E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.3 I 0.22 K 0.03 M 0.01 Q 0.01 C Shift Assignments>> C :: 180.100 CA :: 59.969 CB :: 29.664 CG :: 36.675 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.835 HA :: 3.987 HB2 :: 2.033 HB3 :: 2.169 HG2 :: 2.218 HG3 :: 2.462 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.500 Ave N Shift Values>> N :: 120.67(3.48) 1.D144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.19 Y 0.17 L 0.15 D 0.09 C 0.09 I 0.03 R 0.02 C Shift Assignments>> C :: 179.500 CA :: 57.616 CB :: 41.294 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.834 HA :: 4.612 HB2 :: 2.779 HB3 :: 2.804 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.963 Ave N Shift Values>> N :: 120.65(3.86) 1.R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.34 G 0.17 C Shift Assignments>> C :: 178.700 CA :: 59.580 CB :: 29.698 CG :: 27.262 CD :: 44.012 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.507 HA :: 4.123 HB2 :: 2.040 HB3 :: 2.040 HG2 :: 1.724 HG3 :: 1.724 HD2 :: 3.194 HD3 :: 3.194 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.496 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.3 G 0.11 K 0.05 C Shift Assignments>> C :: 178.400 CA :: 59.405 CB :: 30.307 CG :: 28.675 CD :: 43.654 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.673 HA :: 4.110 HB2 :: 1.913 HB3 :: 1.913 HG2 :: 1.608 HG3 :: 1.829 HD2 :: 3.217 HD3 :: 3.217 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.361 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.26 C 0.03 I 0.01 C Shift Assignments>> C :: 179.620 CA :: 54.333 CB :: 19.073 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.849 HA :: 4.267 HB1 :: 1.621 HB2 :: 1.621 HB3 :: 1.621 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.151 Ave N Shift Values>> N :: 123.23(3.54) 1.F148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.34 C 0.18 C Shift Assignments>> C :: 176.900 CA :: 60.782 CB :: 39.849 CD1 :: 132.144 CE1 :: 131.013 CZ :: 129.509 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.223 HA :: 4.318 HB2 :: 3.064 HB3 :: 3.297 HD1 :: 7.220 HD2 :: 7.220 HE1 :: 7.038 HE2 :: 7.038 HZ :: 7.139 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.894 Ave N Shift Values>> N :: 120.45(4.18) 1.Q149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.26 E 0.1 R 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 176.579 CA :: 57.007 CB :: 28.945 CG :: 34.100 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.963 HA :: 4.082 HB2 :: 2.105 HB3 :: 2.105 HG2 :: 2.437 HG3 :: 2.517 HE21 :: 7.512 HE22 :: 6.785 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.416 NE2 :: 111.501 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.4 A 0.11 C Shift Assignments>> C :: 176.413 CA :: 56.207 CB :: 32.792 CG :: 32.396 CE :: 17.743 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.707 HA :: 4.308 HB2 :: 2.056 HB3 :: 2.153 HG2 :: 2.504 HG3 :: 2.656 HE1 :: 2.010 HE2 :: 2.010 HE3 :: 2.010 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.791 Ave N Shift Values>> N :: 120.09(3.57) 1.L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.28 R 0.05 G 0.01 A 0.01 C Shift Assignments>> C :: 177.100 CA :: 55.523 CB :: 42.326 CG :: 26.748 CD1 :: 25.397 CD2 :: 23.582 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.642 HA :: 4.225 HB2 :: 1.561 HB3 :: 1.466 HG :: 1.650 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.987 Ave N Shift Values>> N :: 121.86(3.9) 1.R152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.38 G 0.08 K 0.05 C Shift Assignments>> C :: 176.340 CA :: 56.273 CB :: 31.267 CG :: 27.341 CD :: 43.575 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.086 HA :: 4.224 HB2 :: 1.745 HB3 :: 1.884 HG2 :: 1.573 HG3 :: 1.573 HD2 :: 3.116 HD3 :: 3.116 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.736 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 K 0.06 G 0.05 C Shift Assignments>> C :: 176.155 CA :: 56.045 CB :: 30.968 CG :: 26.929 CD :: 43.258 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.449 HA :: 4.083 HB2 :: 1.682 HB3 :: 1.748 HG2 :: 1.602 HG3 :: 1.602 HD2 :: 3.126 HD3 :: 3.126 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.473 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.22 K 0.13 F 0.11 Y 0.09 N 0.06 C 0.06 R 0.01 HN Overlap>> 1.I76 1.I76 C Shift Assignments>> C :: 175.934 CA :: 55.075 CB :: 41.221 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.324 HA :: 4.483 HB2 :: 2.578 HB3 :: 2.640 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.222 Ave N Shift Values>> N :: 120.65(3.86) 1.N155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.21 C 0.08 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> C :: 174.114 CA :: 53.535 CB :: 39.109 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.288 HA :: 4.638 HB2 :: 2.726 HB3 :: 2.780 HD21 :: 7.565 HD22 :: 6.828 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.219 ND2 :: 112.861 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.14 R 0.13 E 0.12 H 0.12 K 0.09 M 0.08 Q 0.07 V 0.03 C Shift Assignments>> C :: 181.062 CA :: 58.154 CB :: 31.143 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.789 HA :: 4.067 HB2 :: 1.854 HB3 :: 1.854 HG2 :: 2.169 HG3 :: 2.169 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.348 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 147 #Clerical: 0 #Suspicious: 8 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 156 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 155 #Suspicious: 1 C Shift Results: #Consistent: 696 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1135 #Duplicate: 0 #Unknown: 0 #Suspicious: 20 #Anomalous: 1 N Shift Results: #Consistent: 174 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K26 H = 10.578(S), Expected = 8.19, Std = 0.6000, ChiSquare = 6.8915e-05 1.Q27 HE21 = 9.237(S), Expected = 7.24, Std = 0.4500, ChiSquare = 9.0892e-06 1.L31 HD21 = -0.288(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4753e-04 1.L31 HD22 = -0.288(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4753e-04 1.L31 HD23 = -0.288(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4753e-04 1.R34 HD2 = 0.270(A), Expected = 3.12, Std = 0.2400, ChiSquare = 1.5963e-32 1.R34 HD3 = 2.130(S), Expected = 3.10, Std = 0.2600, ChiSquare = 1.9090e-04 1.R34 SRO Rule Break>> HD2 > HB2 : 0.994969040247678 1.R34 SRO Rule Break>> HD2 > HB3 : 0.995112016293279 1.R34 SRO Rule Break>> HD2 > HG2 : 0.997606701236538 1.R34 SRO Rule Break>> HD2 > HG3 : 0.998289867464728 1.K78 HG2 = 0.489(S), Expected = 1.37, Std = 0.2600, ChiSquare = 7.0286e-04 1.R82 HE = 9.966(S), Expected = 7.40, Std = 0.6300, ChiSquare = 4.6408e-05 1.S92 HB2 = 3.036(S), Expected = 3.88, Std = 0.2500, ChiSquare = 7.3548e-04 1.L97 HB2 = 0.445(S), Expected = 1.61, Std = 0.3400, ChiSquare = 6.1148e-04 1.L97 HB3 = 0.147(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.3680e-04 1.L97 HG = 0.052(S), Expected = 1.51, Std = 0.3300, ChiSquare = 9.9535e-06 1.L97 HD11 = -0.467(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3837e-05 1.L97 HD12 = -0.467(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3837e-05 1.L97 HD13 = -0.467(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3837e-05 1.L97 HD21 = -0.314(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.1822e-04 1.L97 HD22 = -0.314(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.1822e-04 1.L97 HD23 = -0.314(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.1822e-04 1.S113 HB2 = 2.485(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.4052e-08 1.S113 HB3 = 2.918(S), Expected = 3.85, Std = 0.2700, ChiSquare = 5.5675e-04