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 0.39 Q 0.38 K 0.16 E 0.04 C Shift Assignments>> CA :: 55.079 CB :: 33.407 CG :: 30.760 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 :: 4.083 HB2 :: 2.135 HB3 :: 2.135 HG2 :: 2.564 HG3 :: 2.564 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.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.2 F 0.06 Y 0.06 L 0.05 C Shift Assignments>> CA :: 52.829 CB :: 38.929 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>> HA :: 4.845 HB2 :: 2.869 HB3 :: 2.830 HD21 :: 7.727 HD22 :: 7.034 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>> ND2 :: 113.521 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.168 CA :: 61.953 CB :: 38.497 CG1 :: 27.528 CG2 :: 17.504 CD1 :: 13.143 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 :: 8.494 HA :: 4.122 HB :: 1.887 HG12 :: 1.232 HG13 :: 1.461 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 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 :: 122.072 Ave N Shift Values>> N :: 121.46(4.28) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.17 Y 0.11 F 0.1 L 0.05 E 0.01 M 0.01 C Shift Assignments>> C :: 175.802 CA :: 53.900 CB :: 38.586 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 :: 8.516 HA :: 4.682 HB2 :: 2.874 HB3 :: 2.874 HD21 :: 7.732 HD22 :: 7.004 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 :: 121.656 ND2 :: 113.349 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 K 0.11 I 0.1 M 0.07 Q 0.07 C Shift Assignments>> C :: 177.370 CA :: 57.851 CB :: 29.890 CG :: 36.320 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 :: 8.356 HA :: 4.171 HB2 :: 2.089 HB3 :: 2.048 HG2 :: 2.322 HG3 :: 2.322 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 :: 121.155 Ave N Shift Values>> N :: 120.67(3.48) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.35 E 0.14 R 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 177.436 CA :: 57.326 CB :: 29.022 CG :: 34.115 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 :: 8.381 HA :: 4.346 HB2 :: 2.133 HB3 :: 2.100 HG2 :: 2.404 HG3 :: 2.404 HE21 :: 7.565 HE22 :: 6.918 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 :: 120.087 NE2 :: 112.177 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.N89 1.N89 C Shift Assignments>> C :: 175.997 CA :: 64.081 CB :: 69.335 CG2 :: 21.881 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 :: 8.011 HA :: 4.126 HB :: 4.380 HG21 :: 1.247 HG22 :: 1.247 HG23 :: 1.247 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 :: 115.591 Ave N Shift Values>> N :: 115.42(4.75) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 R 0.01 C Shift Assignments>> C :: 178.344 CA :: 57.936 CB :: 41.491 CG :: 27.011 CD1 :: 24.234 CD2 :: 24.465 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 :: 8.387 HA :: 4.082 HB2 :: 1.763 HB3 :: 1.630 HG :: 1.646 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.950 HD22 :: 0.950 HD23 :: 0.950 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 :: 122.591 Ave N Shift Values>> N :: 121.86(3.9) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 L 0.14 K 0.13 D 0.11 I 0.05 N 0.01 C Shift Assignments>> C :: 178.748 CA :: 57.633 CB :: 40.841 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.242 HA :: 4.362 HB2 :: 2.709 HB3 :: 2.689 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 :: 118.046 Ave N Shift Values>> N :: 120.65(3.86) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 C Shift Assignments>> C :: 179.980 CA :: 59.199 CB :: 32.026 CG :: 25.272 CD :: 28.922 CE :: 41.982 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 :: 7.847 HA :: 4.035 HB2 :: 1.927 HB3 :: 1.927 HG2 :: 1.585 HG3 :: 1.458 HD2 :: 1.692 HD3 :: 1.692 HE2 :: 2.969 HE3 :: 2.969 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.372 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.11 G 0.03 C Shift Assignments>> C :: 178.596 CA :: 57.761 CB :: 42.500 CG :: 27.184 CD1 :: 24.576 CD2 :: 25.223 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 :: 8.156 HA :: 4.170 HB2 :: 1.918 HB3 :: 1.600 HG :: 1.723 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 HD21 :: 0.900 HD22 :: 0.900 HD23 :: 0.900 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 :: 122.319 Ave N Shift Values>> N :: 121.86(3.9) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 R 0.24 K 0.1 C Shift Assignments>> C :: 178.990 CA :: 60.716 CB :: 29.769 CG :: 29.911 CD :: 43.620 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 :: 8.722 HA :: 3.801 HB2 :: 1.495 HB3 :: 1.901 HG2 :: 2.006 HG3 :: 2.006 HD2 :: 3.170 HD3 :: 3.170 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 :: 119.024 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.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.37 R 0.1 E 0.07 I 0.03 M 0.02 C Shift Assignments>> C :: 177.970 CA :: 58.893 CB :: 28.355 CG :: 33.783 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 :: 8.021 HA :: 4.020 HB2 :: 2.142 HB3 :: 2.142 HG2 :: 2.457 HG3 :: 2.511 HE21 :: 7.520 HE22 :: 6.832 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 :: 117.535 NE2 :: 112.176 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.45 I 0.03 HN Overlap>> 1.L28 1.L28 C Shift Assignments>> C :: 181.355 CA :: 54.989 CB :: 18.253 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.014 HA :: 4.170 HB1 :: 1.586 HB2 :: 1.586 HB3 :: 1.586 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.746 Ave N Shift Values>> N :: 123.23(3.54) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.413 CA :: 66.858 CB :: 31.144 CG1 :: 23.594 CG2 :: 24.787 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 :: 8.477 HA :: 3.508 HB :: 2.091 HG11 :: 0.936 HG12 :: 0.936 HG13 :: 0.936 HG21 :: 1.092 HG22 :: 1.092 HG23 :: 1.092 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.409 Ave N Shift Values>> N :: 121.14(4.54) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.03 C Shift Assignments>> C :: 178.277 CA :: 58.850 CB :: 41.437 CG :: 26.928 CD1 :: 25.367 CD2 :: 24.513 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 :: 8.289 HA :: 3.819 HB2 :: 1.989 HB3 :: 1.989 HG :: 1.587 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 HD21 :: 0.886 HD22 :: 0.886 HD23 :: 0.886 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 :: 121.990 Ave N Shift Values>> N :: 121.86(3.9) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.34 R 0.11 E 0.08 I 0.05 M 0.01 HN Overlap>> 1.S29 1.S29 C Shift Assignments>> C :: 178.471 CA :: 59.027 CB :: 28.118 CG :: 33.912 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 :: 8.161 HA :: 3.892 HB2 :: 2.135 HB3 :: 2.135 HG2 :: 2.535 HG3 :: 2.457 HE21 :: 7.473 HE22 :: 6.915 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 :: 115.467 NE2 :: 112.018 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.22 G 0.02 HN Overlap>> 1.A86 1.A86 C Shift Assignments>> C :: 178.771 CA :: 59.490 CB :: 32.953 CG :: 24.964 CD :: 30.496 CE :: 42.165 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 :: 7.666 HA :: 4.048 HB2 :: 2.064 HB3 :: 1.921 HG2 :: 1.563 HG3 :: 1.359 HD2 :: 1.780 HD3 :: 1.630 HE2 :: 3.089 HE3 :: 3.089 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 :: 120.623 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.26 C Shift Assignments>> C :: 180.010 CA :: 58.387 CB :: 31.908 CG :: 25.010 CD :: 28.525 CE :: 41.817 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 :: 8.468 HA :: 4.126 HB2 :: 2.053 HB3 :: 1.782 HG2 :: 1.501 HG3 :: 1.501 HD2 :: 1.672 HD3 :: 1.582 HE2 :: 2.785 HE3 :: 2.785 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 :: 118.640 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.714 CA :: 64.480 CB :: 37.434 CG1 :: 28.818 CG2 :: 17.194 CD1 :: 12.831 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 :: 8.610 HA :: 3.693 HB :: 1.910 HG12 :: 1.158 HG13 :: 1.594 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 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 :: 120.618 Ave N Shift Values>> N :: 121.46(4.28) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.21 C Shift Assignments>> C :: 179.014 CA :: 59.705 CB :: 32.103 CG :: 25.149 CD :: 28.592 CE :: 41.923 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 :: 7.896 HA :: 3.945 HB2 :: 1.943 HB3 :: 1.943 HG2 :: 1.587 HG3 :: 1.403 HD2 :: 1.682 HD3 :: 1.682 HE2 :: 2.949 HE3 :: 2.949 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 :: 120.118 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.21 K 0.1 Q 0.04 M 0.03 C Shift Assignments>> C :: 178.249 CA :: 58.921 CB :: 29.669 CG :: 36.407 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 :: 7.974 HA :: 4.048 HB2 :: 2.103 HB3 :: 2.103 HG2 :: 2.498 HG3 :: 2.251 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.377 Ave N Shift Values>> N :: 120.67(3.48) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 G 0.09 K 0.07 L 0.01 C Shift Assignments>> C :: 178.771 CA :: 58.350 CB :: 29.928 CG :: 27.236 CD :: 43.213 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 :: 7.851 HA :: 4.143 HB2 :: 1.926 HB3 :: 1.926 HG2 :: 1.717 HG3 :: 1.649 HD2 :: 3.089 HD3 :: 3.089 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 :: 119.541 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.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.167 CA :: 63.986 CB :: 37.901 CG1 :: 28.282 CG2 :: 17.187 CD1 :: 13.577 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 :: 8.149 HA :: 3.773 HB :: 1.888 HG12 :: 1.592 HG13 :: 0.970 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 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 :: 120.313 Ave N Shift Values>> N :: 121.46(4.28) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.37 E 0.1 R 0.08 M 0.03 I 0.02 HN Overlap>> 1.I69 1.I69 1.Q92 1.Q92 C Shift Assignments>> C :: 177.503 CA :: 57.900 CB :: 28.598 CG :: 33.905 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 :: 8.243 HA :: 4.102 HB2 :: 2.126 HB3 :: 2.126 HG2 :: 2.420 HG3 :: 2.420 HE21 :: 7.528 HE22 :: 6.846 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 :: 120.536 NE2 :: 112.176 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.17 Y 0.14 F 0.13 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 176.254 CA :: 54.392 CB :: 38.604 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 :: 8.257 HA :: 4.671 HB2 :: 2.868 HB3 :: 2.868 HD21 :: 7.675 HD22 :: 7.025 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 :: 117.846 ND2 :: 112.910 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.944 CA :: 59.780 CB :: 63.609 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.074 HA :: 4.421 HB2 :: 3.988 HB3 :: 3.988 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 :: 116.057 Ave N Shift Values>> N :: 116.28(3.52) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.05 A 0.03 G 0.01 HN Overlap>> 1.A14 1.A14 C Shift Assignments>> C :: 177.976 CA :: 55.656 CB :: 42.087 CG :: 26.700 CD1 :: 23.070 CD2 :: 25.193 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 :: 4.369 HB2 :: 1.745 HB3 :: 1.605 HG :: 1.742 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.888 HD22 :: 0.888 HD23 :: 0.888 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 :: 122.682 Ave N Shift Values>> N :: 121.86(3.9) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q17 1.Q17 C Shift Assignments>> C :: 175.265 CA :: 58.728 CB :: 63.541 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.162 HA :: 4.481 HB2 :: 3.998 HB3 :: 3.947 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 :: 115.496 Ave N Shift Values>> N :: 116.28(3.52) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.057 CA :: 62.383 CB :: 69.399 CG2 :: 21.622 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 :: 8.119 HA :: 4.310 HB :: 4.312 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 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 :: 115.243 Ave N Shift Values>> N :: 115.42(4.75) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 K 0.16 Q 0.15 M 0.08 I 0.05 C Shift Assignments>> C :: 176.637 CA :: 56.922 CB :: 29.752 CG :: 35.888 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 :: 8.298 HA :: 4.223 HB2 :: 1.989 HB3 :: 1.989 HG2 :: 2.232 HG3 :: 2.232 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 :: 122.771 Ave N Shift Values>> N :: 120.67(3.48) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.21 C Shift Assignments>> C :: 176.516 CA :: 56.556 CB :: 32.834 CG :: 24.568 CD :: 28.891 CE :: 42.017 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 :: 8.176 HA :: 4.196 HB2 :: 1.629 HB3 :: 1.629 HG2 :: 1.265 HG3 :: 1.175 HD2 :: 1.585 HD3 :: 1.585 HE2 :: 2.923 HE3 :: 2.923 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 :: 121.350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.37 M 0.08 E 0.07 R 0.04 HN Overlap>> 1.I61 1.I61 C Shift Assignments>> C :: 175.846 CA :: 55.564 CB :: 29.303 CG :: 33.665 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 :: 8.314 HA :: 4.320 HB2 :: 2.068 HB3 :: 1.949 HG2 :: 2.273 HG3 :: 2.273 HE21 :: 7.509 HE22 :: 6.847 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 :: 122.498 NE2 :: 112.532 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q60 1.Q60 C Shift Assignments>> C :: 176.426 CA :: 62.141 CB :: 38.527 CG1 :: 27.751 CG2 :: 17.530 CD1 :: 13.208 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 :: 8.239 HA :: 4.031 HB :: 1.855 HG12 :: 1.496 HG13 :: 1.197 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 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 :: 122.419 Ave N Shift Values>> N :: 121.46(4.28) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 K 0.12 I 0.1 Q 0.08 M 0.07 C Shift Assignments>> C :: 177.053 CA :: 57.686 CB :: 29.785 CG :: 36.274 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 :: 8.670 HA :: 4.180 HB2 :: 1.983 HB3 :: 1.940 HG2 :: 2.247 HG3 :: 2.247 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 :: 123.204 Ave N Shift Values>> N :: 120.67(3.48) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.732 CA :: 62.729 CB :: 69.402 CG2 :: 21.620 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 :: 7.942 HA :: 4.155 HB :: 4.061 HG21 :: 1.054 HG22 :: 1.054 HG23 :: 1.054 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 :: 114.078 Ave N Shift Values>> N :: 115.42(4.75) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 F 0.44 C Shift Assignments>> C :: 175.762 CA :: 58.573 CB :: 39.226 CD2 :: 133.148 CE1 :: 131.522 CZ :: 129.682 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 :: 8.077 HA :: 4.470 HB2 :: 2.961 HB3 :: 2.961 HD1 :: 6.772 HD2 :: 6.772 HE1 :: 7.205 HE2 :: 7.205 HZ :: 7.193 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 :: 121.990 Ave N Shift Values>> N :: 120.45(4.18) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.76 F 0.23 C Shift Assignments>> C :: 175.778 CA :: 58.061 CB :: 39.163 CD1 :: 133.234 CE2 :: 131.661 CZ :: 131.552 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 :: 8.170 HA :: 4.595 HB2 :: 3.218 HB3 :: 2.959 HD1 :: 6.809 HD2 :: 6.809 HE1 :: 7.294 HE2 :: 7.294 HZ :: 7.028 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 :: 120.090 Ave N Shift Values>> N :: 120.45(4.18) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.27 C Shift Assignments>> C :: 178.701 CA :: 54.024 CB :: 18.831 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.087 HA :: 4.120 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.876 Ave N Shift Values>> N :: 123.23(3.54) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.36 E 0.12 R 0.05 M 0.04 I 0.01 C Shift Assignments>> C :: 176.770 CA :: 57.146 CB :: 29.066 CG :: 33.971 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 :: 8.295 HA :: 4.214 HB2 :: 2.058 HB3 :: 2.058 HG2 :: 2.380 HG3 :: 2.380 HE21 :: 7.550 HE22 :: 6.852 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 :: 117.509 NE2 :: 112.352 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 F 0.15 Y 0.12 K 0.11 N 0.07 I 0.01 R 0.01 C Shift Assignments>> C :: 177.352 CA :: 55.348 CB :: 40.932 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 :: 8.158 HA :: 4.567 HB2 :: 2.754 HB3 :: 2.662 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 :: 120.806 Ave N Shift Values>> N :: 120.65(3.86) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q25 1.Q25 C Shift Assignments>> C :: 177.290 CA :: 63.900 CB :: 37.900 CG1 :: 28.694 CG2 :: 17.525 CD1 :: 12.960 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 :: 8.142 HA :: 3.725 HB :: 1.893 HG12 :: 1.533 HG13 :: 1.153 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 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 :: 120.546 Ave N Shift Values>> N :: 121.46(4.28) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.34 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.097 CA :: 59.537 CB :: 29.253 CG :: 36.526 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 :: 8.284 HA :: 4.093 HB2 :: 2.074 HB3 :: 2.074 HG2 :: 2.360 HG3 :: 2.268 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 :: 120.860 Ave N Shift Values>> N :: 120.67(3.48) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.074 CA :: 61.549 CB :: 62.519 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.017 HA :: 4.210 HB2 :: 4.003 HB3 :: 3.989 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 :: 114.790 Ave N Shift Values>> N :: 116.28(3.52) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.793 CA :: 65.788 CB :: 31.424 CG1 :: 22.095 CG2 :: 22.408 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.853 HA :: 3.754 HB :: 2.065 HG11 :: 0.870 HG12 :: 0.870 HG13 :: 0.870 HG21 :: 0.964 HG22 :: 0.964 HG23 :: 0.964 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 :: 123.163 Ave N Shift Values>> N :: 121.14(4.54) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.33 E 0.13 I 0.11 R 0.07 M 0.01 C Shift Assignments>> C :: 179.115 CA :: 59.803 CB :: 28.334 CG :: 34.217 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 :: 8.449 HA :: 3.823 HB2 :: 2.214 HB3 :: 2.124 HG2 :: 2.443 HG3 :: 2.339 HE21 :: 7.388 HE22 :: 6.740 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 :: 119.069 NE2 :: 110.908 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.25 C Shift Assignments>> C :: 179.116 CA :: 58.891 CB :: 31.991 CG :: 24.952 CD :: 28.592 CE :: 41.917 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 :: 7.865 HA :: 4.056 HB2 :: 1.922 HB3 :: 1.922 HG2 :: 1.578 HG3 :: 1.503 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 2.955 HE3 :: 2.955 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 :: 118.176 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.17 K 0.13 Q 0.08 M 0.03 C Shift Assignments>> C :: 179.297 CA :: 58.812 CB :: 29.461 CG :: 36.089 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 :: 7.697 HA :: 4.079 HB2 :: 2.226 HB3 :: 2.136 HG2 :: 2.439 HG3 :: 2.439 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 :: 119.114 Ave N Shift Values>> N :: 120.67(3.48) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.09 A 0.04 G 0.01 C Shift Assignments>> C :: 179.415 CA :: 55.847 CB :: 41.784 CG :: 26.087 CD1 :: 23.058 CD2 :: 26.479 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 :: 7.853 HA :: 4.235 HB2 :: 1.964 HB3 :: 1.443 HG :: 2.101 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 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 :: 116.287 Ave N Shift Values>> N :: 121.86(3.9) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.16 K 0.12 Q 0.08 M 0.05 C Shift Assignments>> C :: 176.233 CA :: 59.146 CB :: 29.781 CG :: 35.987 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 :: 7.519 HA :: 3.903 HB2 :: 2.147 HB3 :: 2.061 HG2 :: 2.418 HG3 :: 2.320 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.466 Ave N Shift Values>> N :: 120.67(3.48) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.24 F 0.07 Y 0.07 L 0.07 C Shift Assignments>> C :: 175.189 CA :: 52.982 CB :: 39.235 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 :: 8.075 HA :: 4.888 HB2 :: 3.002 HB3 :: 2.707 HD21 :: 7.622 HD22 :: 6.990 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.199 ND2 :: 114.138 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 R 0.29 A 0.1 G 0.04 C Shift Assignments>> C :: 177.043 CA :: 54.718 CB :: 42.659 CG :: 26.843 CD1 :: 27.264 CD2 :: 22.511 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 :: 7.161 HA :: 4.540 HB2 :: 1.776 HB3 :: 1.503 HG :: 0.841 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 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 :: 119.784 Ave N Shift Values>> N :: 121.86(3.9) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 174.620 CA :: 56.892 CB :: 66.007 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.179 HA :: 4.506 HB2 :: 4.415 HB3 :: 4.086 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 :: 118.074 Ave N Shift Values>> N :: 116.28(3.52) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.4 K 0.06 Q 0.03 M 0.02 C Shift Assignments>> C :: 177.717 CA :: 60.624 CB :: 29.743 CG :: 36.297 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 :: 9.218 HA :: 3.759 HB2 :: 2.007 HB3 :: 2.121 HG2 :: 2.143 HG3 :: 2.143 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 :: 121.086 Ave N Shift Values>> N :: 120.67(3.48) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 E 0.4 K 0.05 Q 0.01 C Shift Assignments>> C :: 179.932 CA :: 60.253 CB :: 29.136 CG :: 36.695 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 :: 8.819 HA :: 3.935 HB2 :: 2.057 HB3 :: 1.963 HG2 :: 2.368 HG3 :: 2.313 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 :: 116.597 Ave N Shift Values>> N :: 120.67(3.48) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.3 M 0.08 K 0.01 HN Overlap>> 1.A86 1.A86 C Shift Assignments>> C :: 179.740 CA :: 59.029 CB :: 30.720 CG :: 37.708 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 :: 7.757 HA :: 4.030 HB2 :: 2.383 HB3 :: 1.996 HG2 :: 2.256 HG3 :: 2.348 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 :: 120.529 Ave N Shift Values>> N :: 120.67(3.48) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.04 G 0.02 C Shift Assignments>> C :: 179.007 CA :: 58.052 CB :: 42.295 CG :: 26.847 CD1 :: 24.369 CD2 :: 24.798 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 :: 8.456 HA :: 4.032 HB2 :: 2.098 HB3 :: 1.264 HG :: 1.774 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 HD21 :: 0.948 HD22 :: 0.948 HD23 :: 0.948 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 :: 121.413 Ave N Shift Values>> N :: 121.86(3.9) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.04 C Shift Assignments>> C :: 179.740 CA :: 58.039 CB :: 41.720 CG :: 26.790 CD1 :: 25.382 CD2 :: 23.548 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 :: 8.651 HA :: 3.901 HB2 :: 1.823 HB3 :: 1.470 HG :: 1.764 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 119.270 Ave N Shift Values>> N :: 121.86(3.9) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.42 I 0.02 HN Overlap>> 1.K18 1.E83 1.K18 1.E83 C Shift Assignments>> C :: 180.656 CA :: 54.656 CB :: 17.704 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.662 HA :: 4.178 HB1 :: 1.490 HB2 :: 1.490 HB3 :: 1.490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.526 Ave N Shift Values>> N :: 123.23(3.54) 1.M87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 Q 0.19 E 0.04 C Shift Assignments>> C :: 178.213 CA :: 58.347 CB :: 33.369 CG :: 32.858 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 :: 7.614 HA :: 4.157 HB2 :: 2.303 HB3 :: 2.045 HG2 :: 2.850 HG3 :: 2.496 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 :: 117.188 Ave N Shift Values>> N :: 120.09(3.57) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 G 0.02 R 0.01 C Shift Assignments>> C :: 177.761 CA :: 56.655 CB :: 42.275 CG :: 26.390 CD1 :: 24.500 CD2 :: 24.172 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 :: 8.012 HA :: 4.062 HB2 :: 1.733 HB3 :: 1.648 HG :: 1.653 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.798 HD22 :: 0.798 HD23 :: 0.798 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 :: 119.902 Ave N Shift Values>> N :: 121.86(3.9) 1.N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.22 F 0.09 Y 0.09 L 0.07 HN Overlap>> 1.T7 1.T7 C Shift Assignments>> C :: 176.190 CA :: 53.560 CB :: 39.058 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 :: 8.029 HA :: 4.693 HB2 :: 2.882 HB3 :: 2.753 HD21 :: 7.570 HD22 :: 6.919 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 :: 115.508 ND2 :: 112.531 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.911 CA :: 45.583 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.979 HA2 :: 3.988 HA3 :: 3.988 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.566 Ave N Shift Values>> N :: 109.67(3.87) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.23 N 0.11 K 0.1 F 0.1 Y 0.07 R 0.01 HN Overlap>> 1.Q92 1.Q92 C Shift Assignments>> C :: 176.191 CA :: 54.340 CB :: 41.079 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 :: 8.283 HA :: 4.617 HB2 :: 2.699 HB3 :: 2.627 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 :: 120.372 Ave N Shift Values>> N :: 120.65(3.86) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.36 E 0.08 M 0.08 R 0.04 HN Overlap>> 1.D91 1.Q25 1.D91 1.Q25 C Shift Assignments>> C :: 175.136 CA :: 55.684 CB :: 29.346 CG :: 33.791 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 :: 8.300 HA :: 4.315 HB2 :: 2.130 HB3 :: 1.980 HG2 :: 2.361 HG3 :: 2.361 HE21 :: 7.569 HE22 :: 6.817 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 :: 120.448 NE2 :: 112.809 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.24 M 0.18 E 0.17 C Shift Assignments>> CA :: 57.308 CB :: 30.213 CG :: 34.136 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 :: 8.110 HA :: 4.136 HB2 :: 2.116 HB3 :: 1.911 HG2 :: 2.289 HG3 :: 2.289 HE21 :: 7.629 HE22 :: 6.861 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 :: 127.079 NE2 :: 113.177 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 93 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 66 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 27 Shift Relative Order (SRO) Results: #Consistent: 93 #Suspicious: 0 C Shift Results: #Consistent: 292 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 502 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 78 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0