Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.38 A 0.1 HN Overlap>> 1.R47 1.R47 1.K131 1.K131 C Shift Assignments>> C :: 176.704 CA :: 55.819 CB :: 32.867 CG :: 32.144 CE :: 16.890 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 :: 8.118 HA :: 4.416 HB2 :: 2.055 HB3 :: 1.946 HG2 :: 2.529 HG3 :: 2.465 HE1 :: 2.006 HE2 :: 2.006 HE3 :: 2.006 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 :: 119.504 Ave N Shift Values>> N :: 120.09(3.57) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.062 CA :: 45.575 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.406 HA2 :: 4.000 HA3 :: 3.929 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.803 Ave N Shift Values>> N :: 109.67(3.87) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.404 CA :: 58.502 CB :: 64.144 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.119 HA :: 4.447 HB2 :: 3.857 HB3 :: 3.796 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 :: 115.150 Ave N Shift Values>> N :: 116.28(3.52) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.21 R 0.09 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.647 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.195 HA2 :: 4.042 HA3 :: 4.042 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.964 Ave N Shift Values>> N :: 109.67(3.87) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.746 CA :: 63.104 CB :: 32.320 CG :: 27.166 CD :: 49.775 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 :: 4.410 HB2 :: 2.173 HB3 :: 1.845 HG2 :: 1.942 HG3 :: 1.942 HD2 :: 3.544 HD3 :: 3.544 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.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.006 CA :: 60.351 CB :: 39.373 CG1 :: 27.459 CG2 :: 17.652 CD1 :: 13.131 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 :: 8.024 HA :: 4.109 HB :: 1.716 HG12 :: 1.386 HG13 :: 1.108 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 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 :: 120.234 Ave N Shift Values>> N :: 121.46(4.28) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.25 N 0.11 R 0.06 K 0.06 C 0.05 G 0.04 F 0.03 Y 0.01 C Shift Assignments>> CA :: 51.240 CB :: 42.223 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 :: 8.326 HA :: 4.861 HB2 :: 2.758 HB3 :: 2.567 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 :: 125.995 Ave N Shift Values>> N :: 120.65(3.86) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.800 CA :: 64.857 CB :: 32.484 CG :: 27.384 CD :: 51.124 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 :: 4.089 HB2 :: 2.205 HB3 :: 1.888 HG2 :: 1.988 HG3 :: 1.863 HD2 :: 3.882 HD3 :: 3.882 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.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.1 C Shift Assignments>> C :: 179.046 CA :: 58.941 CB :: 31.827 CG :: 25.171 CD :: 29.093 CE :: 41.896 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 :: 8.271 HA :: 3.960 HB2 :: 1.853 HB3 :: 1.747 HG2 :: 1.440 HG3 :: 1.364 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.967 HE3 :: 2.967 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 :: 116.728 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 K 0.08 I 0.08 Q 0.05 M 0.04 HN Overlap>> 1.Y50 1.Y50 C Shift Assignments>> C :: 178.525 CA :: 58.010 CB :: 29.745 CG :: 36.285 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 :: 7.810 HA :: 4.078 HB2 :: 2.103 HB3 :: 2.036 HG2 :: 2.311 HG3 :: 2.214 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 :: 118.719 Ave N Shift Values>> N :: 120.67(3.48) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.32 G 0.01 C Shift Assignments>> C :: 178.512 CA :: 57.078 CB :: 42.125 CD1 :: 23.618 CD2 :: 25.062 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 :: 7.609 HA :: 4.117 HB2 :: 1.665 HB3 :: 1.493 HD11 :: 0.701 HD12 :: 0.701 HD13 :: 0.701 HD21 :: 0.781 HD22 :: 0.781 HD23 :: 0.781 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 :: 119.807 Ave N Shift Values>> N :: 121.86(3.9) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.27 A 0.02 C Shift Assignments>> C :: 178.266 CA :: 55.628 CB :: 41.686 CD1 :: 23.291 CD2 :: 25.089 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 :: 7.738 HA :: 4.150 HB2 :: 1.673 HB3 :: 1.505 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 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 :: 117.147 Ave N Shift Values>> N :: 121.86(3.9) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.06 HN Overlap>> 1.I54 1.I54 C Shift Assignments>> C :: 178.279 CA :: 58.503 CB :: 32.374 CG :: 24.844 CE :: 42.087 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 :: 7.539 HA :: 4.097 HB2 :: 1.868 HB3 :: 1.868 HG2 :: 1.418 HG3 :: 1.418 HE2 :: 2.936 HE3 :: 2.936 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 :: 120.758 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.376 CA :: 45.849 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.333 HA2 :: 4.082 HA3 :: 3.976 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.148 Ave N Shift Values>> N :: 109.67(3.87) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.27 G 0.02 K 0.02 A 0.02 C Shift Assignments>> C :: 177.184 CA :: 54.778 CB :: 42.508 CD1 :: 23.618 CD2 :: 25.961 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 :: 7.806 HA :: 4.598 HB2 :: 1.778 HB3 :: 1.778 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.869 HD22 :: 0.869 HD23 :: 0.869 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 :: 119.487 Ave N Shift Values>> N :: 121.86(3.9) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.19 K 0.16 L 0.13 C 0.09 D 0.08 I 0.04 R 0.01 C Shift Assignments>> C :: 177.608 CA :: 57.735 CB :: 41.085 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 :: 7.995 HA :: 4.197 HB2 :: 2.740 HB3 :: 2.613 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 :: 118.764 Ave N Shift Values>> N :: 120.65(3.86) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.911 CA :: 60.584 CB :: 62.939 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.142 HA :: 4.172 HB2 :: 3.547 HB3 :: 3.472 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 :: 112.376 Ave N Shift Values>> N :: 116.28(3.52) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.4 C 0.17 C Shift Assignments>> C :: 174.828 CA :: 57.900 CB :: 40.481 CD1 :: 131.869 CE1 :: 131.055 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 :: 8.032 HA :: 4.723 HB2 :: 3.409 HB3 :: 2.979 HD1 :: 7.225 HD2 :: 7.225 HE1 :: 7.225 HE2 :: 7.225 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 :: 117.568 Ave N Shift Values>> N :: 120.45(4.18) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.16 C 0.12 A 0.01 C Shift Assignments>> C :: 178.197 CA :: 53.163 CB :: 45.248 CD1 :: 23.945 CD2 :: 26.179 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 :: 7.458 HA :: 5.503 HB2 :: 1.729 HB3 :: 1.430 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 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 :: 119.690 Ave N Shift Values>> N :: 121.86(3.9) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.42 T 0.4 C 0.12 L 0.02 K 0.01 C Shift Assignments>> CA :: 60.610 CG2 :: 22.351 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 :: 9.174 HA :: 4.612 HG21 :: 1.320 HG22 :: 1.320 HG23 :: 1.320 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 :: 111.883 Ave N Shift Values>> N :: 115.42(4.75) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.42 R 0.42 K 0.06 G 0.06 L 0.01 C Shift Assignments>> C :: 176.623 CA :: 58.557 CB :: 29.690 CG :: 26.669 CD :: 43.394 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>> HA :: 4.148 HB2 :: 1.903 HB3 :: 1.903 HG2 :: 1.692 HG3 :: 1.692 HD2 :: 3.205 HD3 :: 3.205 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) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.12 N 0.09 F 0.08 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 175.760 CA :: 54.066 CB :: 41.386 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 :: 7.598 HA :: 4.750 HB2 :: 2.870 HB3 :: 2.471 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 :: 115.054 Ave N Shift Values>> N :: 120.65(3.86) 1.G23 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 :: 172.062 CA :: 46.068 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.901 HA2 :: 4.062 HA3 :: 3.393 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.781 Ave N Shift Values>> N :: 109.67(3.87) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.31 M 0.25 Q 0.01 C Shift Assignments>> C :: 177.062 CA :: 54.519 CB :: 31.551 CG :: 36.666 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 :: 7.227 HA :: 4.332 HB2 :: 1.966 HB3 :: 1.966 HG2 :: 2.339 HG3 :: 2.076 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 :: 114.564 Ave N Shift Values>> N :: 120.67(3.48) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.869 CA :: 64.164 CB :: 30.973 CG1 :: 22.583 CG2 :: 22.637 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 :: 8.257 HA :: 4.136 HB :: 1.958 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 1.042 HG22 :: 1.042 HG23 :: 1.042 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 :: 123.037 Ave N Shift Values>> N :: 121.14(4.54) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.41 R 0.11 C Shift Assignments>> C :: 176.390 CA :: 58.886 CB :: 34.319 CG :: 25.198 CD :: 29.638 CE :: 42.046 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 :: 8.411 HA :: 4.082 HB2 :: 1.776 HB3 :: 1.776 HG2 :: 1.438 HG3 :: 1.379 HD2 :: 1.564 HD3 :: 1.564 HE2 :: 2.856 HE3 :: 2.856 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 :: 125.441 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.71 T 0.28 C Shift Assignments>> C :: 174.856 CA :: 56.339 CB :: 67.021 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.997 HA :: 4.903 HB2 :: 3.847 HB3 :: 4.238 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 :: 111.031 Ave N Shift Values>> N :: 116.28(3.52) 1.V28 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 :: 177.622 CA :: 65.788 CB :: 31.881 CG1 :: 20.376 CG2 :: 21.684 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 :: 8.865 HA :: 3.800 HB :: 2.115 HG11 :: 1.026 HG12 :: 1.026 HG13 :: 1.026 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 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 :: 118.934 Ave N Shift Values>> N :: 121.14(4.54) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 L 0.15 D 0.15 C 0.09 K 0.08 I 0.03 N 0.03 C Shift Assignments>> C :: 178.471 CA :: 56.804 CB :: 40.646 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 :: 8.228 HA :: 4.461 HB2 :: 2.658 HB3 :: 2.580 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 :: 120.101 Ave N Shift Values>> N :: 120.65(3.86) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 175.554 CA :: 46.616 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.995 HA2 :: 3.929 HA3 :: 3.546 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.357 Ave N Shift Values>> N :: 109.67(3.87) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.38 M 0.01 C Shift Assignments>> C :: 176.485 CA :: 60.529 CB :: 36.429 CG1 :: 29.475 CG2 :: 19.014 CD1 :: 11.714 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 :: 7.596 HA :: 4.148 HB :: 2.040 HG12 :: 1.639 HG13 :: 1.639 HG21 :: 1.139 HG22 :: 1.139 HG23 :: 1.139 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 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 :: 120.322 Ave N Shift Values>> N :: 121.46(4.28) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.28 I 0.05 C 0.02 HN Overlap>> 1.V135 1.V135 C Shift Assignments>> C :: 180.183 CA :: 55.654 CB :: 17.968 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.899 HA :: 4.089 HB1 :: 1.524 HB2 :: 1.524 HB3 :: 1.524 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.542 Ave N Shift Values>> N :: 123.23(3.54) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.36 R 0.23 C Shift Assignments>> C :: 179.142 CA :: 58.338 CB :: 31.608 CG :: 24.735 CD :: 28.412 CE :: 42.278 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 :: 7.366 HA :: 4.082 HB2 :: 1.571 HB3 :: 1.571 HG2 :: 1.189 HG3 :: 1.189 HD2 :: 1.537 HD3 :: 1.537 HE2 :: 2.911 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 :: 118.368 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I34 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 :: 177.362 CA :: 64.312 CB :: 37.247 CG1 :: 29.829 CG2 :: 16.890 CD1 :: 13.321 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 :: 8.107 HA :: 3.612 HB :: 1.946 HG12 :: 1.503 HG13 :: 1.264 HG21 :: 0.946 HG22 :: 0.946 HG23 :: 0.946 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 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 :: 119.288 Ave N Shift Values>> N :: 121.46(4.28) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.35 C 0.22 C Shift Assignments>> C :: 175.760 CA :: 62.063 CB :: 39.577 CD1 :: 130.805 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 :: 8.926 HA :: 4.093 HB2 :: 3.070 HB3 :: 3.070 HD1 :: 6.938 HD2 :: 6.938 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 :: 121.142 Ave N Shift Values>> N :: 120.45(4.18) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.321 CA :: 62.255 CB :: 62.994 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.541 HA :: 3.719 HB2 :: 3.963 HB3 :: 3.726 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 :: 112.777 Ave N Shift Values>> N :: 116.28(3.52) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.43 A 0.01 K 0.01 C Shift Assignments>> C :: 180.033 CA :: 57.216 CB :: 41.320 CD1 :: 22.637 CD2 :: 25.933 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 :: 7.246 HA :: 4.011 HB2 :: 1.661 HB3 :: 1.462 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 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 :: 120.812 Ave N Shift Values>> N :: 121.86(3.9) 1.M38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.32 C Shift Assignments>> C :: 178.005 CA :: 59.571 CB :: 33.179 CG :: 33.389 CE :: 17.543 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 :: 8.345 HA :: 3.264 HB2 :: 1.813 HB3 :: 1.813 HG2 :: 2.328 HG3 :: 2.183 HE1 :: 1.831 HE2 :: 1.831 HE3 :: 1.831 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 :: 121.291 Ave N Shift Values>> N :: 120.09(3.57) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.45 R 0.05 C Shift Assignments>> C :: 177.485 CA :: 59.050 CB :: 31.752 CG :: 24.490 CD :: 29.447 CE :: 41.733 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 :: 7.774 HA :: 3.796 HB2 :: 1.498 HB3 :: 1.323 HG2 :: 1.130 HG3 :: 0.984 HD2 :: 1.426 HD3 :: 1.426 HE2 :: 2.854 HE3 :: 2.778 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 :: 115.736 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.27 M 0.15 Q 0.13 K 0.08 C Shift Assignments>> C :: 176.020 CA :: 54.941 CB :: 30.324 CG :: 35.685 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 :: 6.953 HA :: 4.395 HB2 :: 2.294 HB3 :: 1.786 HG2 :: 2.348 HG3 :: 2.171 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 :: 115.229 Ave N Shift Values>> N :: 120.67(3.48) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.01 C Shift Assignments>> CA :: 53.269 CB :: 18.756 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.590 HA :: 4.389 HB1 :: 1.554 HB2 :: 1.554 HB3 :: 1.554 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.551 Ave N Shift Values>> N :: 123.23(3.54) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.4 R 0.39 K 0.15 G 0.04 C Shift Assignments>> C :: 176.217 CA :: 56.415 CB :: 32.852 CG :: 27.323 CD :: 43.122 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>> HA :: 4.149 HB2 :: 1.803 HB3 :: 1.671 HG2 :: 1.607 HG3 :: 1.510 HD2 :: 3.084 HD3 :: 3.084 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) 1.K43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.963 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 :: 119.837 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.65 M 0.33 C Shift Assignments>> C :: 178.115 CA :: 59.817 CB :: 31.772 CG :: 32.716 CE :: 17.843 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 :: 3.820 HB2 :: 2.126 HB3 :: 2.126 HG2 :: 2.570 HG3 :: 2.570 HE1 :: 1.996 HE2 :: 1.996 HE3 :: 1.996 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.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 178.183 CA :: 65.788 CB :: 31.169 CG1 :: 20.540 CG2 :: 21.956 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 :: 8.685 HA :: 3.773 HB :: 2.017 HG11 :: 0.882 HG12 :: 0.882 HG13 :: 0.882 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 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 :: 116.452 Ave N Shift Values>> N :: 121.14(4.54) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.676 CA :: 60.926 CB :: 62.270 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.802 HA :: 4.015 HB2 :: 3.924 HB3 :: 3.924 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 :: 117.562 Ave N Shift Values>> N :: 116.28(3.52) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.16 I 0.14 W 0.13 P 0.09 E 0.05 R 0.04 H 0.03 Q 0.02 K 0.02 M 0.01 HN Overlap>> 1.M1 1.K131 1.M1 1.K131 C Shift Assignments>> C :: 178.129 CA :: 61.625 CB :: 30.238 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 :: 8.025 HA :: 3.827 HB2 :: 1.571 HB3 :: 1.571 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 :: 119.493 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.C48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 I 0.36 C 0.08 C Shift Assignments>> C :: 176.746 CA :: 64.090 CB :: 27.142 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.480 HA :: 4.031 HB2 :: 2.854 HB3 :: 2.854 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 :: 114.227 Ave N Shift Values>> N :: 120.17(4.64) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.321 CA :: 67.514 CB :: 68.253 CG2 :: 22.222 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 :: 7.702 HA :: 3.848 HB :: 4.003 HG21 :: 0.890 HG22 :: 0.890 HG23 :: 0.890 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 :: 117.977 Ave N Shift Values>> N :: 115.42(4.75) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 HN Overlap>> 1.E10 1.E10 C Shift Assignments>> C :: 178.307 CA :: 62.282 CB :: 37.688 CD1 :: 132.119 CE1 :: 117.913 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 :: 7.761 HA :: 4.305 HB2 :: 3.389 HB3 :: 2.998 HD1 :: 6.944 HD2 :: 6.944 HE1 :: 6.605 HE2 :: 6.605 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 :: 118.707 Ave N Shift Values>> N :: 120.52(4.2) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 L 0.27 K 0.03 I 0.03 C Shift Assignments>> C :: 178.211 CA :: 58.557 CB :: 39.907 CD1 :: 23.046 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 :: 8.251 HA :: 3.992 HB2 :: 1.931 HB3 :: 1.931 HD11 :: 1.001 HD12 :: 1.001 HD13 :: 1.001 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 :: 117.362 Ave N Shift Values>> N :: 121.86(3.9) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.22 C 0.18 N 0.09 D 0.07 I 0.05 E 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 177.307 CA :: 56.585 CB :: 38.455 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 :: 7.925 HA :: 4.395 HB2 :: 2.893 HB3 :: 2.732 HD21 :: 6.799 HD22 :: 7.406 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 :: 116.345 ND2 :: 112.257 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 178.622 CA :: 64.911 CB :: 38.071 CG1 :: 28.337 CG2 :: 18.007 CD1 :: 14.315 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 :: 7.440 HA :: 3.870 HB :: 2.122 HG12 :: 1.766 HG13 :: 1.191 HG21 :: 0.826 HG22 :: 0.826 HG23 :: 0.826 HD11 :: 0.790 HD12 :: 0.790 HD13 :: 0.790 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 :: 119.088 Ave N Shift Values>> N :: 121.46(4.28) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.17 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> C :: 178.403 CA :: 63.542 CB :: 35.113 CG1 :: 27.254 CG2 :: 18.034 CD1 :: 9.017 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 :: 7.495 HA :: 3.395 HB :: 2.091 HG12 :: 1.386 HG13 :: 0.736 HG21 :: 0.435 HG22 :: 0.435 HG23 :: 0.435 HD11 :: 0.065 HD12 :: 0.065 HD13 :: 0.065 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 :: 120.837 Ave N Shift Values>> N :: 121.46(4.28) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.39 R 0.03 G 0.01 C Shift Assignments>> C :: 177.608 CA :: 57.818 CB :: 42.289 CG :: 27.132 CD1 :: 24.762 CD2 :: 24.217 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 :: 8.356 HA :: 3.278 HB2 :: 1.798 HB3 :: 1.254 HG :: 1.571 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 HD21 :: 0.592 HD22 :: 0.592 HD23 :: 0.592 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 :: 119.216 Ave N Shift Values>> N :: 121.86(3.9) 1.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 E 0.08 M 0.04 R 0.03 C Shift Assignments>> C :: 176.390 CA :: 55.928 CB :: 29.088 CG :: 33.969 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 :: 7.608 HA :: 3.968 HB2 :: 2.025 HB3 :: 2.025 HG2 :: 2.407 HG3 :: 2.407 HE21 :: 6.764 HE22 :: 7.350 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 :: 114.622 NE2 :: 111.480 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T57 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 :: 174.486 CA :: 65.351 CB :: 69.549 CG2 :: 20.996 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 :: 7.603 HA :: 4.140 HB :: 4.564 HG21 :: 1.370 HG22 :: 1.370 HG23 :: 1.370 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 :: 116.734 Ave N Shift Values>> N :: 115.42(4.75) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.39 K 0.11 G 0.06 C Shift Assignments>> C :: 176.937 CA :: 56.394 CB :: 32.323 CG :: 27.486 CD :: 43.422 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 :: 8.855 HA :: 4.257 HB2 :: 1.942 HB3 :: 1.842 HG2 :: 1.771 HG3 :: 1.659 HD2 :: 3.229 HD3 :: 3.229 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 :: 126.278 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.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.06 C 0.01 C Shift Assignments>> CA :: 50.654 CB :: 18.538 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.654 HA :: 4.620 HB1 :: 1.472 HB2 :: 1.472 HB3 :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.546 Ave N Shift Values>> N :: 123.23(3.54) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 178.293 CA :: 65.897 CB :: 31.936 CD :: 51.471 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 :: 4.058 HB2 :: 2.357 HB3 :: 2.025 HD2 :: 4.241 HD3 :: 3.929 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.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.27 E 0.26 K 0.06 Q 0.02 C Shift Assignments>> C :: 179.416 CA :: 59.543 CB :: 28.376 CG :: 36.366 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 :: 9.627 HA :: 4.046 HB2 :: 2.029 HB3 :: 2.029 HG2 :: 2.374 HG3 :: 2.284 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 :: 115.384 Ave N Shift Values>> N :: 120.67(3.48) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 176.924 CA :: 66.007 CB :: 31.498 CG1 :: 22.637 CG2 :: 23.455 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 :: 7.054 HA :: 3.573 HB :: 2.126 HG11 :: 0.824 HG12 :: 0.824 HG13 :: 0.824 HG21 :: 1.090 HG22 :: 1.090 HG23 :: 1.090 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 :: 119.798 Ave N Shift Values>> N :: 121.14(4.54) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.42 A 0.03 C Shift Assignments>> C :: 179.087 CA :: 57.790 CB :: 41.796 CD1 :: 25.062 CD2 :: 21.057 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 :: 7.416 HA :: 3.964 HB2 :: 1.899 HB3 :: 1.156 HD11 :: 0.618 HD12 :: 0.618 HD13 :: 0.618 HD21 :: 0.728 HD22 :: 0.728 HD23 :: 0.728 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 :: 119.324 Ave N Shift Values>> N :: 121.86(3.9) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.923 CA :: 66.828 CB :: 31.936 CG1 :: 21.520 CG2 :: 23.672 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 :: 8.636 HA :: 3.565 HB :: 1.958 HG11 :: 0.962 HG12 :: 0.962 HG13 :: 0.962 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 :: 118.167 Ave N Shift Values>> N :: 121.14(4.54) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.33 R 0.24 C Shift Assignments>> C :: 177.348 CA :: 57.790 CB :: 30.731 CG :: 23.945 CD :: 28.358 CE :: 41.978 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 :: 7.305 HA :: 4.176 HB2 :: 2.181 HB3 :: 2.181 HG2 :: 1.624 HG3 :: 1.340 HD2 :: 1.870 HD3 :: 1.621 HE2 :: 2.700 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 :: 120.134 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 C 0.3 F 0.28 C Shift Assignments>> C :: 176.376 CA :: 61.406 CB :: 38.126 CD1 :: 132.432 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 :: 7.993 HA :: 3.870 HB2 :: 3.522 HB3 :: 3.092 HD1 :: 7.014 HD2 :: 7.014 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 :: 116.849 Ave N Shift Values>> N :: 120.45(4.18) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> 1.N76 1.N76 C Shift Assignments>> C :: 179.027 CA :: 66.263 CB :: 37.903 CG1 :: 29.039 CG2 :: 16.717 CD1 :: 14.293 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 :: 7.500 HA :: 3.014 HB :: 1.978 HG12 :: 1.908 HG13 :: 0.503 HG21 :: 0.250 HG22 :: 0.250 HG23 :: 0.250 HD11 :: 0.514 HD12 :: 0.514 HD13 :: 0.514 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 :: 118.123 Ave N Shift Values>> N :: 121.46(4.28) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 L 0.12 K 0.12 C 0.1 D 0.08 I 0.06 C Shift Assignments>> C :: 178.868 CA :: 57.900 CB :: 40.865 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 :: 8.513 HA :: 4.289 HB2 :: 2.717 HB3 :: 2.623 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 :: 122.451 Ave N Shift Values>> N :: 120.65(3.86) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 174.596 CA :: 62.095 CB :: 31.383 CG1 :: 18.633 CG2 :: 20.731 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 :: 7.969 HA :: 4.066 HB :: 2.072 HG11 :: 0.347 HG12 :: 0.347 HG13 :: 0.347 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 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 :: 111.259 Ave N Shift Values>> N :: 121.14(4.54) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.21 R 0.09 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 176.321 CA :: 44.644 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.050 HA2 :: 4.263 HA3 :: 3.644 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.372 Ave N Shift Values>> N :: 109.67(3.87) 1.G71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 174.445 CA :: 47.302 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.929 HA2 :: 2.904 HA3 :: 1.755(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.931 Ave N Shift Values>> N :: 109.67(3.87) 1.Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 177.211 CA :: 60.717 CB :: 39.107 CD1 :: 132.307 CE1 :: 118.727 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 :: 7.424 HA :: 4.179 HB2 :: 3.096 HB3 :: 2.646 HD1 :: 6.818 HD2 :: 6.818 HE1 :: 6.777 HE2 :: 6.777 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 :: 120.063 Ave N Shift Values>> N :: 120.52(4.2) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.41 R 0.1 G 0.01 C Shift Assignments>> C :: 178.813 CA :: 59.817 CB :: 31.827 CG :: 24.926 CD :: 29.257 CE :: 42.305 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 :: 7.529 HA :: 3.648 HB2 :: 1.821 HB3 :: 1.821 HG2 :: 1.438 HG3 :: 1.354 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 2.983 HE3 :: 2.983 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 :: 122.621 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.5 C 0.42 R 0.05 G 0.01 C Shift Assignments>> C :: 178.430 CA :: 57.900 CB :: 42.070 CG :: 26.315 CD1 :: 24.272 CD2 :: 26.151 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 :: 7.951 HA :: 3.980 HB2 :: 1.630 HB3 :: 1.630 HG :: 0.345(S) HD11 :: 0.701 HD12 :: 0.701 HD13 :: 0.701 HD21 :: 0.201 HD22 :: 0.201 HD23 :: 0.201 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 :: 120.664 Ave N Shift Values>> N :: 121.86(3.9) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.28 K 0.11 C Shift Assignments>> C :: 178.526 CA :: 58.010 CB :: 41.084 CD1 :: 23.400 CD2 :: 26.723 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 :: 7.804 HA :: 3.702 HB2 :: 1.872 HB3 :: 1.872 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 HD21 :: 0.933 HD22 :: 0.933 HD23 :: 0.933 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 :: 116.519 Ave N Shift Values>> N :: 121.86(3.9) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 C 0.14 I 0.12 L 0.05 D 0.05 K 0.01 HN Overlap>> 1.I67 1.I67 C Shift Assignments>> C :: 177.047 CA :: 58.338 CB :: 39.879 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 :: 7.544 HA :: 4.074 HB2 :: 2.729 HB3 :: 2.377 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 :: 118.088 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.786 CA :: 61.845 CB :: 62.775 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.864 HA :: 4.379 HB2 :: 4.231 HB3 :: 4.231 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 :: 117.476 Ave N Shift Values>> N :: 116.28(3.52) 1.W78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 W 0.46 C Shift Assignments>> C :: 179.128 CA :: 58.910 CB :: 29.258 CD1 :: 124.942 CE3 :: 118.727 CZ2 :: 116.007 CZ3 :: 120.917 CH2 :: 123.733 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 :: 8.780 HA :: 4.723 HB2 :: 3.284 HB3 :: 3.284 HD1 :: 7.080 HE1 :: 10.416 HE3 :: 7.228 HZ2 :: 8.029 HZ3 :: 6.985 HH2 :: 7.005 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 :: 122.638 NE1 :: 130.127 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.36 L 0.1 R 0.03 G 0.01 C Shift Assignments>> C :: 177.745 CA :: 59.050 CB :: 42.344 CD1 :: 24.708 CD2 :: 27.459 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 :: 9.221 HA :: 4.046 HB2 :: 2.154 HB3 :: 2.154 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 HD21 :: 0.941 HD22 :: 0.941 HD23 :: 0.941 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 :: 125.479 Ave N Shift Values>> N :: 121.86(3.9) 1.T80 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 :: 176.951 CA :: 67.389 CB :: 68.582 CG2 :: 21.590 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 :: 8.265 HA :: 3.816 HB :: 4.370 HG21 :: 1.294 HG22 :: 1.294 HG23 :: 1.294 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 :: 115.626 Ave N Shift Values>> N :: 115.42(4.75) 1.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 C 0.28 F 0.26 C Shift Assignments>> C :: 178.457 CA :: 61.460 CB :: 38.674 CD1 :: 132.870 CE2 :: 118.351 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 :: 8.052 HA :: 4.361 HB2 :: 3.405 HB3 :: 3.026 HD1 :: 7.014 HD2 :: 7.014 HE1 :: 6.712 HE2 :: 6.712 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 :: 122.413 Ave N Shift Values>> N :: 120.52(4.2) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.033 CA :: 62.392 CB :: 62.919 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.642 HA :: 4.007 HB2 :: 3.894 HB3 :: 3.894 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 :: 117.200 Ave N Shift Values>> N :: 116.28(3.52) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.32 R 0.15 G 0.02 C Shift Assignments>> C :: 179.539 CA :: 59.434 CB :: 32.813 CG :: 25.034 CD :: 30.156 CE :: 42.735 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 :: 8.512 HA :: 4.172 HB2 :: 2.115 HB3 :: 1.790 HG2 :: 1.517 HG3 :: 1.428 HD2 :: 1.681 HD3 :: 1.525 HE2 :: 3.116 HE3 :: 2.912 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 :: 122.276 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T84 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 :: 175.760 CA :: 66.226 CB :: 69.075 CG2 :: 21.609 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 :: 8.219 HA :: 4.001 HB :: 4.278 HG21 :: 1.257 HG22 :: 1.257 HG23 :: 1.257 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 :: 116.428 Ave N Shift Values>> N :: 115.42(4.75) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.911 CA :: 61.707 CB :: 69.595 CG2 :: 21.704 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 :: 7.448 HA :: 4.215 HB :: 4.277 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 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 :: 107.855 Ave N Shift Values>> N :: 115.42(4.75) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.14 Y 0.1 D 0.09 F 0.08 E 0.04 M 0.02 L 0.02 HN Overlap>> 1.L136 1.L136 C Shift Assignments>> C :: 173.267 CA :: 54.011 CB :: 37.907 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 :: 7.608 HA :: 4.187 HB2 :: 3.190 HB3 :: 2.474 HD21 :: 6.799 HD22 :: 7.461 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 :: 121.264 ND2 :: 111.539 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 C 0.16 M 0.04 D 0.03 Y 0.03 E 0.02 F 0.02 C Shift Assignments>> C :: 174.445 CA :: 51.639 CB :: 37.125 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 :: 8.309 HA :: 4.727 HB2 :: 2.889 HB3 :: 2.525 HD21 :: 6.511 HD22 :: 7.744 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 :: 117.552 ND2 :: 111.920 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> CA :: 65.745 CB :: 34.364 CG1 :: 28.708 CG2 :: 17.612 CD1 :: 11.432 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 :: 8.100 HA :: 3.793 HB :: 2.145 HG12 :: 1.538 HG13 :: 1.269 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 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 :: 124.034 Ave N Shift Values>> N :: 121.46(4.28) 1.P89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.2 C Shift Assignments>> C :: 179.840 CA :: 66.062 CB :: 31.156 CG :: 28.419 CD :: 49.585 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 :: 4.324 HB2 :: 2.285 HB3 :: 1.652 HG2 :: 2.105 HG3 :: 1.917 HD2 :: 3.999 HD3 :: 3.702 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.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.42 K 0.09 C Shift Assignments>> C :: 178.142 CA :: 57.253 CB :: 41.765 CD1 :: 23.781 CD2 :: 26.233 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 :: 7.134 HA :: 4.109 HB2 :: 1.661 HB3 :: 1.160 HD11 :: 0.837 HD12 :: 0.837 HD13 :: 0.837 HD21 :: 0.783 HD22 :: 0.783 HD23 :: 0.783 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 :: 117.342 Ave N Shift Values>> N :: 121.86(3.9) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.41 G 0.06 R 0.02 K 0.01 C Shift Assignments>> C :: 178.704 CA :: 58.949 CB :: 42.891 CD1 :: 25.334 CD2 :: 25.715 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 :: 8.457 HA :: 3.861 HB2 :: 2.126 HB3 :: 1.399 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 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 :: 120.457 Ave N Shift Values>> N :: 121.86(3.9) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.2 Q 0.18 R 0.08 I 0.03 P 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 177.430 CA :: 60.091 CB :: 28.102 CG :: 33.479 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 :: 8.780 HA :: 3.632 HB2 :: 2.173 HB3 :: 2.075 HG2 :: 2.257 HG3 :: 2.125 HE21 :: 6.501 HE22 :: 6.854 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 :: 117.488 NE2 :: 109.136 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>> C 0.31 Q 0.25 K 0.23 E 0.11 I 0.02 M 0.02 R 0.02 C Shift Assignments>> C :: 180.087 CA :: 58.734 CB :: 29.174 CG :: 34.214 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 :: 7.580 HA :: 4.078 HB2 :: 2.158 HB3 :: 2.158 HG2 :: 2.395 HG3 :: 2.395 HE21 :: 6.553 HE22 :: 6.706 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 :: 116.529 NE2 :: 109.488 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.27 C Shift Assignments>> C :: 177.745 CA :: 66.653 CB :: 38.267 CG1 :: 30.692 CG2 :: 18.143 CD1 :: 15.877 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 :: 9.040 HA :: 3.659 HB :: 2.079 HG12 :: 2.182 HG13 :: 0.994 HG21 :: 1.005 HG22 :: 1.005 HG23 :: 1.005 HD11 :: 0.966 HD12 :: 0.966 HD13 :: 0.966 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 :: 122.411 Ave N Shift Values>> N :: 121.46(4.28) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 L 0.31 C Shift Assignments>> C :: 179.101 CA :: 59.817 CB :: 40.098 CD1 :: 24.299 CD2 :: 25.389 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 :: 8.682 HA :: 3.964 HB2 :: 1.993 HB3 :: 1.313 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 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 :: 121.171 Ave N Shift Values>> N :: 121.86(3.9) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.43 G 0.01 C Shift Assignments>> C :: 180.210 CA :: 58.119 CB :: 42.234 CD1 :: 23.318 CD2 :: 25.361 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 :: 8.390 HA :: 4.011 HB2 :: 1.923 HB3 :: 1.399 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 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 :: 118.503 Ave N Shift Values>> N :: 121.86(3.9) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 176.540 CA :: 68.540 CB :: 67.074 CG2 :: 22.004 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 :: 7.993 HA :: 3.796 HB :: 4.420 HG21 :: 1.098 HG22 :: 1.098 HG23 :: 1.098 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 :: 118.051 Ave N Shift Values>> N :: 115.42(4.75) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.27 L 0.18 R 0.01 G 0.01 HN Overlap>> 1.A114 1.A114 C Shift Assignments>> C :: 178.772 CA :: 58.886 CB :: 42.344 CD1 :: 24.408 CD2 :: 27.050 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 :: 8.836 HA :: 4.082 HB2 :: 1.727 HB3 :: 1.727 HD11 :: 1.186 HD12 :: 1.186 HD13 :: 1.186 HD21 :: 1.016 HD22 :: 1.016 HD23 :: 1.016 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 :: 121.613 Ave N Shift Values>> N :: 121.86(3.9) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.27 K 0.22 E 0.1 M 0.06 R 0.01 I 0.01 C Shift Assignments>> C :: 175.432 CA :: 58.174 CB :: 29.745 CG :: 33.997 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 :: 8.192 HA :: 3.972 HB2 :: 1.943 HB3 :: 2.381 HG2 :: 2.373 HG3 :: 2.274 HE21 :: 6.329 HE22 :: 7.699 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 :: 117.166 NE2 :: 110.133 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 M 0.14 C 0.13 W 0.11 E 0.1 K 0.1 Q 0.08 HN Overlap>> 1.K109 1.K109 C Shift Assignments>> C :: 174.062 CA :: 55.764 CB :: 31.224 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 :: 7.450 HA :: 4.567 HB2 :: 3.538 HB3 :: 3.194 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 :: 115.776 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.21 A 0.13 G 0.04 K 0.01 C Shift Assignments>> CA :: 52.234 CB :: 42.346 CD1 :: 23.141 CD2 :: 26.042 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 :: 7.475 HA :: 4.371 HB2 :: 2.061 HB3 :: 2.061 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.960 HD22 :: 0.960 HD23 :: 0.960 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 :: 116.926 Ave N Shift Values>> N :: 121.86(3.9) 1.P102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.99 C Shift Assignments>> C :: 176.746 CA :: 61.496 CB :: 27.554(S) CD :: 50.681 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 :: 4.813 HB2 :: 2.227 HB3 :: 1.777 HD2 :: 3.542 HD3 :: 3.151 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.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.35 A 0.1 K 0.06 G 0.02 C Shift Assignments>> C :: 178.389 CA :: 54.340 CB :: 42.318 CD1 :: 22.855 CD2 :: 26.696 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 :: 7.649 HA :: 4.707 HB2 :: 1.607 HB3 :: 1.607 HD11 :: 0.064 HD12 :: 0.064 HD13 :: 0.064 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 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 :: 122.774 Ave N Shift Values>> N :: 121.86(3.9) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.37 C Shift Assignments>> C :: 175.828 CA :: 59.366 CB :: 72.361 CG2 :: 21.377 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 :: 10.157 HA :: 4.550 HB :: 4.527 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 :: 116.966 Ave N Shift Values>> N :: 115.42(4.75) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 175.746 CA :: 65.733 CB :: 31.224 CG1 :: 20.513 CG2 :: 22.828 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 :: 8.557 HA :: 3.479 HB :: 1.958 HG11 :: 0.898 HG12 :: 0.898 HG13 :: 0.898 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 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 :: 118.023 Ave N Shift Values>> N :: 121.14(4.54) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 L 0.13 D 0.12 C 0.1 K 0.07 I 0.04 N 0.02 HN Overlap>> 1.K122 1.K122 C Shift Assignments>> C :: 179.074 CA :: 57.243 CB :: 40.591 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 :: 7.258 HA :: 4.164 HB2 :: 2.294 HB3 :: 2.013 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 :: 117.701 Ave N Shift Values>> N :: 120.65(3.86) 1.H107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.12 V 0.12 K 0.11 R 0.1 E 0.08 H 0.08 M 0.08 Q 0.03 C Shift Assignments>> C :: 178.663 CA :: 59.434 CB :: 31.881 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 :: 6.978 HA :: 4.109 HB2 :: 2.220 HB3 :: 2.220 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 :: 119.132 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 L 0.18 A 0.14 R 0.02 C Shift Assignments>> C :: 179.498 CA :: 56.859 CB :: 41.796 CG :: 26.424 CD1 :: 20.458 CD2 :: 24.926 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 :: 7.742 HA :: 3.847 HB2 :: 1.610 HB3 :: 1.020 HG :: 1.240 HD11 :: -0.453(S) HD12 :: -0.453(S) HD13 :: -0.453(S) 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 :: 116.399 Ave N Shift Values>> N :: 121.86(3.9) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.43 R 0.1 HN Overlap>> 1.H100 1.H100 C Shift Assignments>> C :: 177.663 CA :: 57.133 CB :: 33.141 CG :: 25.007 CD :: 29.529 CE :: 41.951 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 :: 7.469 HA :: 4.344 HB2 :: 1.946 HB3 :: 1.790 HG2 :: 1.420 HG3 :: 1.420 HD2 :: 1.615 HD3 :: 1.615 HE2 :: 2.860 HE3 :: 2.860 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 :: 115.853 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.25 K 0.16 E 0.14 M 0.1 I 0.01 C Shift Assignments>> C :: 175.787 CA :: 58.174 CB :: 30.183 CG :: 34.242 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 :: 7.703 HA :: 4.125 HB2 :: 2.236 HB3 :: 2.298 HG2 :: 2.687 HG3 :: 2.621 HE21 :: 6.751 HE22 :: 7.235 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 :: 117.596 NE2 :: 109.693 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.15 C 0.08 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> CA :: 52.234 CB :: 38.750 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 :: 7.424 HA :: 4.700 HB2 :: 3.168 HB3 :: 2.960 HD21 :: 6.814 HD22 :: 7.460 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 :: 111.282 ND2 :: 111.011 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.13 D 0.08 Y 0.07 F 0.06 E 0.02 M 0.02 L 0.02 C Shift Assignments>> C :: 176.417 CA :: 53.134 CB :: 37.879 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 :: 4.891 HB2 :: 3.190 HB3 :: 2.825 HD21 :: 6.940 HD22 :: 7.469 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 :: 109.283 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 175.198 CA :: 68.253 CB :: 67.801 CG2 :: 23.141 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 :: 8.173 HA :: 3.563 HB :: 4.289 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 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 :: 118.247 Ave N Shift Values>> N :: 115.42(4.75) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 A 0.11 I 0.11 C 0.02 HN Overlap>> 1.L98 1.L98 C Shift Assignments>> C :: 179.567 CA :: 56.421 CB :: 17.119 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.896 HA :: 4.324 HB1 :: 1.432 HB2 :: 1.432 HB3 :: 1.432 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.626 Ave N Shift Values>> N :: 123.23(3.54) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.41 R 0.1 G 0.01 C Shift Assignments>> C :: 179.193 CA :: 59.598 CB :: 32.484 CG :: 25.089 CD :: 29.638 CE :: 42.278 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 :: 7.624 HA :: 4.050 HB2 :: 1.939 HB3 :: 1.939 HG2 :: 1.574 HG3 :: 1.379 HD2 :: 1.708 HD3 :: 1.708 HE2 :: 2.959 HE3 :: 2.959 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 :: 119.202 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.4 G 0.02 K 0.01 C Shift Assignments>> C :: 180.073 CA :: 58.192 CB :: 42.284 CD1 :: 22.801 CD2 :: 25.852 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 :: 8.311 HA :: 4.086 HB2 :: 2.087 HB3 :: 2.087 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 HD21 :: 0.791 HD22 :: 0.791 HD23 :: 0.791 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 :: 120.842 Ave N Shift Values>> N :: 121.86(3.9) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 177.880 CA :: 67.585 CB :: 31.881 CG1 :: 24.136 CG2 :: 23.291 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 :: 8.642 HA :: 3.577 HB :: 2.322 HG11 :: 1.172 HG12 :: 1.172 HG13 :: 1.172 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 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 :: 119.545 Ave N Shift Values>> N :: 121.14(4.54) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.38 R 0.12 C Shift Assignments>> C :: 180.511 CA :: 59.956 CB :: 31.790 CG :: 25.470 CD :: 29.802 CE :: 42.087 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 :: 8.291 HA :: 3.942 HB2 :: 2.158 HB3 :: 2.027 HG2 :: 1.502 HG3 :: 1.449 HD2 :: 1.714 HD3 :: 1.714 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 :: 121.179 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.2 K 0.19 R 0.07 I 0.05 E 0.05 P 0.01 C Shift Assignments>> C :: 179.690 CA :: 59.708 CB :: 27.992 CG :: 33.969 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 :: 8.263 HA :: 4.062 HB2 :: 2.165 HB3 :: 2.326 HG2 :: 2.603 HG3 :: 2.389 HE21 :: 6.775 HE22 :: 7.361 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 :: 120.566 NE2 :: 110.616 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.26 K 0.18 G 0.03 C Shift Assignments>> C :: 178.759 CA :: 57.955 CB :: 42.618 CD1 :: 23.727 CD2 :: 26.941 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 :: 8.154 HA :: 4.089 HB2 :: 2.083 HB3 :: 2.083 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 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 :: 121.097 Ave N Shift Values>> N :: 121.86(3.9) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.048 CA :: 61.515 CB :: 62.720 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.065 HA :: 4.219 HB2 :: 3.995 HB3 :: 3.995 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 :: 113.251 Ave N Shift Values>> N :: 116.28(3.52) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.4 R 0.1 HN Overlap>> 1.D106 1.D106 C Shift Assignments>> C :: 178.307 CA :: 56.312 CB :: 33.909 CG :: 24.435 CD :: 28.685 CE :: 42.141 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 :: 7.160 HA :: 4.500 HB2 :: 1.911 HB3 :: 1.822 HG2 :: 1.512 HG3 :: 1.445 HD2 :: 1.640 HD3 :: 1.640 HE2 :: 2.944 HE3 :: 2.944 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 :: 117.708 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S123 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 :: 175.171 CA :: 59.188 CB :: 65.569 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.090 HA :: 4.610 HB2 :: 3.906 HB3 :: 3.792 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 :: 111.561 Ave N Shift Values>> N :: 116.28(3.52) 1.S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.883 CA :: 60.064 CB :: 63.651 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.968 HA :: 4.293 HB2 :: 3.910 HB3 :: 3.667 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 :: 116.732 Ave N Shift Values>> N :: 116.28(3.52) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 K 0.08 I 0.07 Q 0.04 M 0.03 C Shift Assignments>> C :: 175.650 CA :: 57.517 CB :: 29.636 CG :: 36.394 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 :: 9.000 HA :: 4.191 HB2 :: 2.181 HB3 :: 1.986 HG2 :: 2.356 HG3 :: 2.278 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 :: 126.442 Ave N Shift Values>> N :: 120.67(3.48) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.24 R 0.2 D 0.1 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.362 CA :: 53.852 CB :: 44.054 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 :: 7.942 HA :: 4.707 HB2 :: 2.744 HB3 :: 2.396 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 :: 121.361 Ave N Shift Values>> N :: 120.65(3.86) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.33 I 0.13 K 0.05 Q 0.03 M 0.03 C Shift Assignments>> C :: 178.197 CA :: 59.927 CB :: 30.019 CG :: 36.067 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 :: 8.944 HA :: 3.812 HB2 :: 2.079 HB3 :: 1.982 HG2 :: 2.245 HG3 :: 2.245 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 :: 128.498 Ave N Shift Values>> N :: 120.67(3.48) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.3 I 0.23 K 0.06 Q 0.02 HN Overlap>> 1.R145 1.R145 C Shift Assignments>> C :: 179.854 CA :: 59.380 CB :: 28.758 CG :: 36.421 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 :: 8.160 HA :: 4.017 HB2 :: 2.111 HB3 :: 2.017 HG2 :: 2.319 HG3 :: 2.253 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 :: 119.097 Ave N Shift Values>> N :: 120.67(3.48) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.42 K 0.1 R 0.01 C Shift Assignments>> C :: 178.608 CA :: 57.955 CB :: 41.577 CD1 :: 25.252 CD2 :: 26.206 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 :: 8.836 HA :: 4.066 HB2 :: 1.903 HB3 :: 1.653 HD11 :: 0.923 HD12 :: 0.923 HD13 :: 0.923 HD21 :: 0.979 HD22 :: 0.979 HD23 :: 0.979 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 :: 123.602 Ave N Shift Values>> N :: 121.86(3.9) 1.R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.3 G 0.14 K 0.03 C Shift Assignments>> C :: 175.102 CA :: 60.707 CB :: 30.827 CG :: 28.140 CD :: 43.640 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 :: 8.332 HA :: 3.773 HB2 :: 1.935 HB3 :: 1.853 HG2 :: 1.871 HG3 :: 1.581 HD2 :: 3.326 HD3 :: 3.135 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 :: 118.115 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.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.07 HN Overlap>> 1.R47 1.M1 1.R47 1.M1 C Shift Assignments>> C :: 178.868 CA :: 59.817 CB :: 32.484 CG :: 25.116 CD :: 29.584 CE :: 41.978 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 :: 8.030 HA :: 3.941 HB2 :: 1.892 HB3 :: 1.892 HG2 :: 1.607 HG3 :: 1.607 HD2 :: 1.708 HD3 :: 1.708 HE2 :: 2.893 HE3 :: 2.893 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 :: 119.478 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 K 0.16 L 0.13 A 0.01 G 0.01 C Shift Assignments>> C :: 178.088 CA :: 57.727 CB :: 41.941 CD1 :: 22.501 CD2 :: 27.486 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 :: 7.843 HA :: 4.089 HB2 :: 1.774 HB3 :: 1.649 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 HD21 :: 0.892 HD22 :: 0.892 HD23 :: 0.892 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 :: 121.574 Ave N Shift Values>> N :: 121.86(3.9) 1.A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 178.581 CA :: 55.271 CB :: 17.860 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.688 HA :: 3.738 HB1 :: 1.322 HB2 :: 1.322 HB3 :: 1.322 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.329 Ave N Shift Values>> N :: 123.23(3.54) 1.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.718 CA :: 62.786 CB :: 62.941 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.119 HA :: 4.140 HB2 :: 3.953 HB3 :: 3.953 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 :: 112.174 Ave N Shift Values>> N :: 116.28(3.52) 1.V135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.09 HN Overlap>> 1.A32 1.A32 C Shift Assignments>> C :: 177.499 CA :: 66.281 CB :: 31.498 CG1 :: 21.057 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 :: 7.845 HA :: 3.628 HB :: 2.165 HG11 :: 0.857 HG12 :: 0.857 HG13 :: 0.857 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 :: 124.597 Ave N Shift Values>> N :: 121.14(4.54) 1.L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.31 K 0.22 HN Overlap>> 1.A142 1.A142 1.N86 1.N86 C Shift Assignments>> C :: 177.690 CA :: 57.845 CB :: 41.523 CD1 :: 24.762 CD2 :: 26.723 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 :: 7.653 HA :: 3.581 HB2 :: 1.164 HB3 :: 0.468 HD11 :: 0.501 HD12 :: 0.501 HD13 :: 0.501 HD21 :: 0.639 HD22 :: 0.639 HD23 :: 0.639 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 :: 121.361 Ave N Shift Values>> N :: 121.86(3.9) 1.V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 178.304 CA :: 66.774 CB :: 31.717 CG1 :: 22.692 CG2 :: 23.373 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 :: 8.004 HA :: 3.577 HB :: 2.130 HG11 :: 0.826 HG12 :: 0.826 HG13 :: 0.826 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 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 :: 115.266 Ave N Shift Values>> N :: 121.14(4.54) 1.S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.636 CA :: 61.872 CB :: 62.926 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.632 HA :: 4.215 HB2 :: 4.000 HB3 :: 4.000 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 :: 114.765 Ave N Shift Values>> N :: 116.28(3.52) 1.D139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.13 D 0.08 L 0.08 I 0.07 N 0.02 K 0.01 C Shift Assignments>> C :: 179.895 CA :: 57.633 CB :: 39.989 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 :: 8.453 HA :: 4.484 HB2 :: 2.752 HB3 :: 2.654 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 :: 124.438 Ave N Shift Values>> N :: 120.65(3.86) 1.W140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.43 C Shift Assignments>> C :: 179.142 CA :: 57.627 CB :: 28.720 CD1 :: 123.624 CE3 :: 119.415 CZ2 :: 114.200 CZ3 :: 119.509 CH2 :: 123.544 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 :: 8.933 HA :: 4.723 HB2 :: 3.495 HB3 :: 3.002 HD1 :: 7.036 HE1 :: 10.619 HE3 :: 7.300 HZ2 :: 7.140 HZ3 :: 6.734 HH2 :: 6.894 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 :: 121.746 NE1 :: 128.302 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.M141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.45 A 0.01 C Shift Assignments>> C :: 178.731 CA :: 58.119 CB :: 31.498 CG :: 32.417 CE :: 16.971 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 :: 8.826 HA :: 4.379 HB2 :: 2.118 HB3 :: 2.349 HG2 :: 2.864 HG3 :: 2.823 HE1 :: 2.101 HE2 :: 2.101 HE3 :: 2.101 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 :: 119.188 Ave N Shift Values>> N :: 120.09(3.57) 1.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.39 I 0.03 C 0.02 HN Overlap>> 1.L136 1.L136 C Shift Assignments>> C :: 180.333 CA :: 54.997 CB :: 17.969 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.676 HA :: 4.207 HB1 :: 1.604 HB2 :: 1.604 HB3 :: 1.604 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.361 Ave N Shift Values>> N :: 123.23(3.54) 1.V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.471 CA :: 65.952 CB :: 31.717 CG1 :: 21.439 CG2 :: 22.283 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 :: 7.746 HA :: 3.765 HB :: 2.345 HG11 :: 0.861 HG12 :: 0.861 HG13 :: 0.861 HG21 :: 1.186 HG22 :: 1.186 HG23 :: 1.186 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 :: 119.670 Ave N Shift Values>> N :: 121.14(4.54) 1.I144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 178.279 CA :: 64.671 CB :: 38.374 CG1 :: 29.424 CG2 :: 17.298 CD1 :: 13.403 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 :: 8.187 HA :: 3.663 HB :: 1.946 HG12 :: 1.705 HG13 :: 1.064 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 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 :: 119.755 Ave N Shift Values>> N :: 121.46(4.28) 1.R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 G 0.07 K 0.05 HN Overlap>> 1.E128 1.E128 C Shift Assignments>> C :: 177.444 CA :: 58.119 CB :: 30.348 CG :: 27.677 CD :: 43.476 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 :: 8.184 HA :: 4.203 HB2 :: 1.935 HB3 :: 1.935 HG2 :: 1.767 HG3 :: 1.672 HD2 :: 3.203 HD3 :: 3.203 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 :: 119.105 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.S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.787 CA :: 59.762 CB :: 63.816 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.853 HA :: 4.402 HB2 :: 4.009 HB3 :: 4.009 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 :: 114.074 Ave N Shift Values>> N :: 116.28(3.52) 1.Q147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.24 C 0.23 E 0.09 M 0.09 R 0.01 C Shift Assignments>> C :: 175.089 CA :: 55.811 CB :: 29.671 CG :: 33.997 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 :: 7.847 HA :: 4.465 HB2 :: 2.275 HB3 :: 1.935 HG2 :: 2.438 HG3 :: 2.409 HE21 :: 6.829 HE22 :: 7.525 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 :: 120.762 NE2 :: 112.418 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 60.542 CB :: 65.009 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.749 HA :: 4.283 HB2 :: 3.847 HB3 :: 3.847 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 :: 122.247 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 144 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 147 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 148 #Suspicious: 0 C Shift Results: #Consistent: 628 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1065 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 153 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G71 HA3 = 1.755(S), Expected = 3.90, Std = 0.3700, ChiSquare = 6.7392e-09 1.L74 HG = 0.345(S), Expected = 1.51, Std = 0.3300, ChiSquare = 4.1508e-04 1.P102 CB = 27.554(S), Expected = 31.85, Std = 1.1800, ChiSquare = 2.7192e-04 1.L108 HD11 = -0.453(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7357e-05 1.L108 HD12 = -0.453(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7357e-05 1.L108 HD13 = -0.453(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7357e-05