Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 L 0.42 G 0.05 I 0.03 K 0.02 C Shift Assignments>> CA :: 43.281(A) CB :: 26.862 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.259 HA :: 3.263 HB2 :: 1.755 HB3 :: 1.755 HG2 :: 1.916 HG3 :: 1.916 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 :: 115.193 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>> L 0.33 R 0.3 K 0.1 D 0.09 F 0.07 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 168.722 CA :: 42.837 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.187 HA2 :: 3.801 HA3 :: 3.801 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.627 Ave N Shift Values>> N :: 109.67(3.87) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.18 C Shift Assignments>> CA :: 50.904 CB :: 17.001 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.373 HA :: 3.550 HB1 :: 0.892 HB2 :: 0.892 HB3 :: 0.892 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.583 Ave N Shift Values>> N :: 123.23(3.54) 1.P4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.753 CB :: 29.578 CG :: 26.463 CD :: 49.738 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 :: 4.524 HB2 :: 2.246 HB3 :: 2.246 HG2 :: 1.545 HG3 :: 1.655 HD2 :: 2.634 HD3 :: 2.145(S) 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.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.185 CA :: 62.967 CB :: 31.137 CG :: 27.134 CD :: 50.210 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 :: 4.348 HB2 :: 2.237 HB3 :: 1.774 HG2 :: 1.943 HG3 :: 1.943 HD2 :: 3.682 HD3 :: 3.465 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.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> CA :: 52.516 CB :: 41.309 CG :: 27.036 CD1 :: 25.157 CD2 :: 24.788 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 :: 8.284 HA :: 4.296 HB2 :: 1.382 HB3 :: 1.592 HG :: 1.810 HD11 :: 1.059 HD12 :: 1.059 HD13 :: 1.059 HD21 :: 0.743 HD22 :: 0.743 HD23 :: 0.743 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 :: 122.369 Ave N Shift Values>> N :: 121.86(3.9) 1.P7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.165 CB :: 30.373 CG :: 26.565 CD :: 49.926 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 :: 4.517 HB2 :: 1.866 HB3 :: 1.655 HG2 :: 1.298 HG3 :: 0.540(S) HD2 :: 3.324 HD3 :: 2.880 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.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.451 CA :: 63.232 CB :: 30.239 CG :: 27.001 CD :: 50.350 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 :: 4.454 HB2 :: 2.047 HB3 :: 2.153 HG2 :: 1.956 HG3 :: 1.956 HD2 :: 3.500 HD3 :: 3.696 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.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.699 CA :: 56.082 CB :: 39.416 CD1 :: 133.465 CD2 :: 133.435 CE1 :: 117.959 CE2 :: 117.959 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 :: 7.485 HA :: 4.655 HB2 :: 2.949 HB3 :: 2.988 HD1 :: 6.893 HD2 :: 6.893 HE1 :: 6.761 HE2 :: 6.761 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 :: 118.183 Ave N Shift Values>> N :: 120.52(4.2) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.693 CA :: 57.758 CB :: 64.015 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.120 HA :: 4.240 HB2 :: 3.781 HB3 :: 3.677 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 :: 116.751 Ave N Shift Values>> N :: 116.28(3.52) 1.A11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.83 M 0.16 C Shift Assignments>> C :: 177.520 CA :: 52.080 CB :: 18.165 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.808 HA :: 2.994 HB1 :: -0.044(S) HB2 :: -0.044(S) HB3 :: -0.044(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.966 Ave N Shift Values>> N :: 123.23(3.54) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.871 CA :: 45.020 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.803 HA2 :: 3.700 HA3 :: 3.629 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.312 Ave N Shift Values>> N :: 109.67(3.87) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.26 R 0.14 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.291 CA :: 44.438 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.132 HA2 :: 4.115 HA3 :: 3.970 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.157 Ave N Shift Values>> N :: 109.67(3.87) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.23 G 0.06 C Shift Assignments>> C :: 176.185 CA :: 56.301 CB :: 30.773 CG :: 27.826 CD :: 43.072 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 :: 8.534 HA :: 4.347 HB2 :: 1.913 HB3 :: 1.948 HG2 :: 1.641 HG3 :: 1.711 HD2 :: 3.268 HD3 :: 3.268 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.715 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.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 Q 0.34 E 0.19 K 0.11 HN Overlap>> 1.N31 1.N31 C Shift Assignments>> C :: 175.918 CA :: 55.791 CB :: 30.865 CG :: 34.393 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 :: 8.633 HA :: 5.145 HB2 :: 2.075 HB3 :: 2.417 HG2 :: 2.322 HG3 :: 2.322 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.761 Ave N Shift Values>> N :: 120.67(3.48) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 I 0.05 M 0.04 C Shift Assignments>> C :: 172.825 CA :: 60.734 CB :: 34.538 CG1 :: 20.385 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 :: 7.880 HA :: 4.385 HB :: 1.779 HG11 :: 0.659 HG12 :: 0.659 HG13 :: 0.659 HG21 :: 0.659 HG22 :: 0.659 HG23 :: 0.659 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 :: 118.566 Ave N Shift Values>> N :: 121.14(4.54) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.004 CA :: 61.251 CB :: 70.639 CG2 :: 21.946 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 :: 7.527 HA :: 4.849 HB :: 4.102 HG1 :: 4.655 HG21 :: 1.251 HG22 :: 1.251 HG23 :: 1.251 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 :: 116.529 Ave N Shift Values>> N :: 115.42(4.75) 1.M18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 M 0.38 Q 0.06 K 0.02 C Shift Assignments>> C :: 173.693 CA :: 54.626 CB :: 36.248 CG :: 31.244 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 :: 9.283 HA :: 4.861 HB2 :: 2.180 HB3 :: 1.957 HG2 :: 2.557 HG3 :: 2.728 HE1 :: 1.964 HE2 :: 1.964 HE3 :: 1.964 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 :: 119.983 Ave N Shift Values>> N :: 120.09(3.57) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.1 A 0.05 G 0.01 C Shift Assignments>> C :: 175.095 CA :: 53.535 CB :: 34.233 CG :: 23.792 CD :: 28.334 CE :: 41.820 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 :: 8.896 HA :: 4.895 HB2 :: 1.681 HB3 :: 1.681 HG2 :: 1.419 HG3 :: 1.419 HD2 :: 1.681 HD3 :: 1.681 HE2 :: 2.988 HE3 :: 2.988 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 :: 124.615 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 G 0.01 C Shift Assignments>> C :: 177.142 CA :: 58.630 CB :: 32.284 CG :: 24.005 CD :: 29.250 CE :: 42.064 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 :: 8.941 HA :: 4.561 HB2 :: 1.831 HB3 :: 1.831 HG2 :: 1.446 HG3 :: 1.446 HD2 :: 1.648 HD3 :: 1.718 HE2 :: 2.834 HE3 :: 2.834 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 :: 122.217 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.21 R 0.09 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.004 CA :: 44.657 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.865 HA2 :: 4.482 HA3 :: 3.503 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.664 Ave N Shift Values>> N :: 109.67(3.87) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.23 K 0.17 F 0.14 Y 0.11 N 0.04 R 0.02 I 0.01 C Shift Assignments>> C :: 174.249 CA :: 55.646 CB :: 41.236 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 :: 8.527 HA :: 4.501 HB2 :: 2.801 HB3 :: 2.553 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 :: 122.284 Ave N Shift Values>> N :: 120.65(3.86) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.R42 1.R42 C Shift Assignments>> C :: 176.296 CA :: 60.085 CB :: 38.616 CG1 :: 27.411 CG2 :: 18.292 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 :: 8.105 HA :: 5.054 HB :: 1.754 HG12 :: 1.092 HG13 :: 1.679 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 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 :: 120.167 Ave N Shift Values>> N :: 121.46(4.28) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.31 R 0.29 C Shift Assignments>> C :: 175.562 CA :: 53.902 CB :: 43.929 CG :: 27.269 CD1 :: 26.715 CD2 :: 27.312 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 :: 9.282 HA :: 4.974 HB2 :: 1.566 HB3 :: 1.411 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 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 :: 127.196 Ave N Shift Values>> N :: 121.86(3.9) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.671 CA :: 63.361 CB :: 69.690 CG2 :: 21.662 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 :: 8.515 HA :: 4.565 HB :: 4.127 HG21 :: 1.140 HG22 :: 1.140 HG23 :: 1.140 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 :: 117.801 Ave N Shift Values>> N :: 115.42(4.75) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 G 0.1 A 0.05 R 0.03 C Shift Assignments>> C :: 174.561 CA :: 54.772 CB :: 43.201 CG :: 26.341 CD1 :: 23.131 CD2 :: 24.910 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 :: 8.848 HA :: 4.393 HB2 :: 1.777 HB3 :: 1.777 HG :: 1.132 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 HD21 :: 0.393 HD22 :: 0.393 HD23 :: 0.393 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 :: 129.213 Ave N Shift Values>> N :: 121.86(3.9) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 A 0.34 G 0.19 C Shift Assignments>> C :: 177.476 CA :: 55.131 CB :: 43.360 CG :: 26.469 CD1 :: 21.454 CD2 :: 22.254 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 :: 9.099 HA :: 4.523 HB2 :: 1.391 HB3 :: 1.167 HG :: 1.391 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 HD21 :: 0.729 HD22 :: 0.729 HD23 :: 0.729 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 :: 126.293 Ave N Shift Values>> N :: 121.86(3.9) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 N 0.11 F 0.11 K 0.1 Y 0.08 R 0.01 C Shift Assignments>> C :: 174.316 CA :: 54.479 CB :: 41.016 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 :: 7.655 HA :: 4.707 HB2 :: 2.763 HB3 :: 2.660 HD21 :: 7.919 HD22 :: 7.205 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 :: 113.997 ND2 :: 114.735 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.381 CA :: 56.952 CB :: 62.219 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.126 HA :: 3.920 HB2 :: 2.041(S) HB3 :: 2.892(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.485 Ave N Shift Values>> N :: 116.28(3.52) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> C :: 175.317 CA :: 65.326 CB :: 69.544 CG2 :: 21.662 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 :: 8.217 HA :: 3.984 HB :: 4.269 HG1 :: 4.089 HG21 :: 1.308 HG22 :: 1.308 HG23 :: 1.308 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 :: 115.195 Ave N Shift Values>> N :: 115.42(4.75) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.28 L 0.15 F 0.09 Y 0.07 K 0.02 HN Overlap>> 1.E15 1.E61 1.E15 1.E61 C Shift Assignments>> C :: 174.472 CA :: 53.535 CB :: 40.290 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 :: 8.667 HA :: 4.861 HB2 :: 3.775 HB3 :: 2.892 HD21 :: 7.973 HD22 :: 7.327 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 :: 122.788 ND2 :: 113.751 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.25 G 0.01 C Shift Assignments>> C :: 176.207 CA :: 58.193 CB :: 32.575 CG :: 23.721 CD :: 28.973 CE :: 42.246 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 :: 8.502 HA :: 4.269 HB2 :: 1.848 HB3 :: 1.778 HG2 :: 1.438 HG3 :: 1.438 HD2 :: 1.697 HD3 :: 1.697 HE2 :: 2.981 HE3 :: 2.981 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 :: 120.948 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.31 D 0.11 K 0.08 F 0.07 Y 0.04 G 0.03 HN Overlap>> 1.T30 1.T30 C Shift Assignments>> C :: 176.630 CA :: 55.644 CB :: 43.199 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 :: 8.323 HA :: 4.539 HB2 :: 2.750 HB3 :: 1.964 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 :: 115.183 Ave N Shift Values>> N :: 120.65(3.86) 1.W34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.182 CA :: 55.791 CB :: 32.648 CD1 :: 127.468 CE3 :: 119.448 CZ2 :: 114.450 CZ3 :: 120.887 CH2 :: 124.256 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 :: 8.356 HA :: 5.145 HB2 :: 2.925 HB3 :: 2.852 HD1 :: 6.972 HE1 :: 9.144 HE3 :: 7.076 HZ2 :: 7.491 HZ3 :: 6.622 HH2 :: 7.208 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 :: 122.165 NE1 :: 127.314 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.W35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.160 CA :: 53.899 CB :: 31.483 CD1 :: 125.239 CE3 :: 121.683 CZ2 :: 114.480 CZ3 :: 120.335 CH2 :: 124.734 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 :: 9.498 HA :: 5.531 HB2 :: 2.983 HB3 :: 2.828 HD1 :: 7.582 HE1 :: 9.291 HE3 :: 7.082 HZ2 :: 7.552 HZ3 :: 6.707 HH2 :: 7.217 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 :: 124.706 NE1 :: 129.359 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.12 HN Overlap>> 1.V39 1.V39 C Shift Assignments>> C :: 175.429 CA :: 55.500 CB :: 34.322 CG :: 25.140 CD :: 28.689 CE :: 41.749 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 :: 8.852 HA :: 4.361 HB2 :: 1.655 HB3 :: 1.655 HG2 :: 1.434 HG3 :: 1.340 HE2 :: 2.974 HE3 :: 2.974 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 :: 124.398 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 A 0.14 I 0.03 C Shift Assignments>> C :: 173.381 CA :: 59.207 CB :: 36.794 CG1 :: 21.307 CG2 :: 18.539 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 :: 9.433 HA :: 5.363 HB :: 2.125 HG11 :: 0.835 HG12 :: 0.835 HG13 :: 0.835 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.097 Ave N Shift Values>> N :: 121.14(4.54) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 Q 0.2 E 0.03 HN Overlap>> 1.K52 1.K52 C Shift Assignments>> C :: 174.561 CA :: 54.046 CB :: 32.357 CG :: 33.661 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 :: 8.711 HA :: 5.383 HB2 :: 1.867 HB3 :: 1.867 HG2 :: 2.196 HG3 :: 2.196 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 :: 118.261 Ave N Shift Values>> N :: 120.67(3.48) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K36 1.K36 C Shift Assignments>> C :: 174.449 CA :: 60.959 CB :: 33.521 CG1 :: 20.810 CG2 :: 18.823 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 :: 8.793 HA :: 4.476 HB :: 2.106 HG11 :: 1.037 HG12 :: 1.037 HG13 :: 1.037 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 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 :: 124.388 Ave N Shift Values>> N :: 121.14(4.54) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 E 0.21 Y 0.19 F 0.13 M 0.08 D 0.04 I 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 174.004 CA :: 55.355 CB :: 37.306 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.452 HA :: 4.295 HB2 :: 3.020 HB3 :: 2.853 HD21 :: 7.602 HD22 :: 7.040 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 :: 126.491 ND2 :: 113.222 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 Y 0.19 F 0.17 D 0.17 L 0.06 E 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 174.538 CA :: 54.986 CB :: 38.688 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 :: 8.741 HA :: 4.411 HB2 :: 2.950 HB3 :: 2.950 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 :: 112.534 Ave N Shift Values>> N :: 120.65(3.86) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.17 G 0.09 HN Overlap>> 1.I23 1.I23 C Shift Assignments>> C :: 174.338 CA :: 55.282 CB :: 32.211 CG :: 26.702 CD :: 43.240 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 :: 8.177 HA :: 4.630 HB2 :: 1.926 HB3 :: 1.784 HG2 :: 1.655 HG3 :: 1.655 HD2 :: 3.265 HD3 :: 3.265 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.189 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.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 Q 0.27 E 0.04 K 0.02 C Shift Assignments>> C :: 176.141 CA :: 53.751 CB :: 31.701 CG :: 33.720 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 :: 8.367 HA :: 5.454 HB2 :: 1.835 HB3 :: 1.694 HG2 :: 2.273 HG3 :: 2.080 HE21 :: 7.351 HE22 :: 6.717 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.640 NE2 :: 110.387 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 170.244 CA :: 45.238 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.608 HA2 :: 3.999 HA3 :: 3.870 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.501 Ave N Shift Values>> N :: 109.67(3.87) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.89 G 0.1 C Shift Assignments>> C :: 175.584 CA :: 58.553 CB :: 42.835 CD1 :: 131.510 CD2 :: 131.510 CE1 :: 129.577 CE2 :: 129.577 CZ :: 131.544 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 :: 9.303 HA :: 5.634 HB2 :: 2.994 HB3 :: 2.557 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 7.323 HE2 :: 7.323 HZ :: 7.322 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.029 Ave N Shift Values>> N :: 120.45(4.18) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 V 0.2 I 0.01 C Shift Assignments>> CA :: 57.829 CB :: 33.376 CG1 :: 17.123 CG2 :: 22.105 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 :: 9.143 HA :: 4.844 HB :: 1.817 HG11 :: 0.698 HG12 :: 0.698 HG13 :: 0.698 HG21 :: 1.094 HG22 :: 1.094 HG23 :: 1.094 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 :: 111.131 Ave N Shift Values>> N :: 121.14(4.54) 1.P47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.654 CA :: 61.541 CB :: 29.418 CG :: 27.213 CD :: 49.846 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 :: 3.851 HB2 :: 1.143 HB3 :: 1.080 HG2 :: 0.379(S) HG3 :: 0.624(S) HD2 :: 2.458(S) HD3 :: 2.286(S) 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.A48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.78 A 0.18 I 0.03 C Shift Assignments>> C :: 178.744 CA :: 54.554 CB :: 15.256 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.631 HA :: 2.643(S) HB1 :: -0.099(S) HB2 :: -0.099(S) HB3 :: -0.099(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.207 Ave N Shift Values>> N :: 123.23(3.54) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.28 C Shift Assignments>> C :: 177.342 CA :: 52.805 CB :: 17.727 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.389 HA :: 4.063 HB1 :: 1.243 HB2 :: 1.243 HB3 :: 1.243 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 113.960 Ave N Shift Values>> N :: 123.23(3.54) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.538 CA :: 57.462 CB :: 37.390 CD1 :: 130.736 CD2 :: 130.736 CE1 :: 118.560 CE2 :: 118.560 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 :: 7.830 HA :: 4.681 HB2 :: 3.330 HB3 :: 3.086 HD1 :: 6.828 HD2 :: 6.828 HE1 :: 6.782 HE2 :: 6.782 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 :: 116.306 Ave N Shift Values>> N :: 120.52(4.2) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 A 0.44 I 0.02 C Shift Assignments>> C :: 173.381 CA :: 58.118 CB :: 36.377 CG1 :: 21.676 CG2 :: 18.546 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 :: 7.472 HA :: 5.531 HB :: 1.936 HG11 :: 0.750 HG12 :: 0.750 HG13 :: 0.750 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 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 :: 110.732 Ave N Shift Values>> N :: 121.14(4.54) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 A 0.17 L 0.05 HN Overlap>> 1.E38 1.E38 C Shift Assignments>> C :: 175.851 CA :: 54.062 CB :: 36.814 CG :: 23.932 CD :: 29.245 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 :: 8.697 HA :: 4.831 HB2 :: 1.728 HB3 :: 1.728 HG2 :: 1.439 HG3 :: 1.382 HD2 :: 1.634 HD3 :: 1.634 HE2 :: 2.953 HE3 :: 2.953 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 :: 118.323 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.36 G 0.04 C Shift Assignments>> C :: 176.029 CA :: 58.266 CB :: 33.012 CG :: 25.495 CD :: 29.257 CE :: 42.814 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 :: 9.191 HA :: 4.539 HB2 :: 1.698 HB3 :: 1.829 HG2 :: 1.413 HG3 :: 1.413 HE2 :: 2.982 HE3 :: 2.982 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 :: 125.862 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 G 0.21 A 0.17 C Shift Assignments>> C :: 176.630 CA :: 53.826 CB :: 43.565 CG :: 26.347 CD1 :: 22.514 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 :: 4.565 HB2 :: 1.566 HB3 :: 1.566 HG :: 1.490 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 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 :: 125.645 Ave N Shift Values>> N :: 121.86(3.9) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.3 L 0.14 F 0.11 Y 0.09 K 0.01 C Shift Assignments>> C :: 175.718 CA :: 53.899 CB :: 39.999 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 :: 8.631 HA :: 4.784 HB2 :: 2.827 HB3 :: 2.686 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 :: 121.805 Ave N Shift Values>> N :: 120.65(3.86) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.184 CA :: 58.118 CB :: 64.523 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.370 HA :: 4.552 HB2 :: 3.961 HB3 :: 3.814 HG :: 5.042 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 :: 116.751 Ave N Shift Values>> N :: 116.28(3.52) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.01 C Shift Assignments>> C :: 174.605 CA :: 45.301 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.656 HA2 :: 4.052 HA3 :: 4.052 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.683 Ave N Shift Values>> N :: 109.67(3.87) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.251 CA :: 61.780 CB :: 69.843 CG2 :: 21.307 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 :: 8.181 HA :: 4.409 HB :: 4.366 HG21 :: 1.184 HG22 :: 1.184 HG23 :: 1.184 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 :: 111.906 Ave N Shift Values>> N :: 115.42(4.75) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.13 R 0.02 F 0.01 C Shift Assignments>> C :: 173.693 CA :: 45.093 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.449 HA2 :: 4.100 HA3 :: 3.862 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.941 Ave N Shift Values>> N :: 109.67(3.87) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.17 G 0.01 C Shift Assignments>> C :: 175.429 CA :: 55.791 CB :: 33.303 CG :: 24.005 CD :: 28.902 CE :: 42.033 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 :: 7.738 HA :: 4.333 HB2 :: 1.765 HB3 :: 1.765 HG2 :: 1.333 HG3 :: 1.333 HD2 :: 1.629 HD3 :: 1.629 HE2 :: 2.948 HE3 :: 2.948 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 :: 120.070 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.33 E 0.11 M 0.1 R 0.02 HN Overlap>> 1.N31 1.N31 C Shift Assignments>> C :: 174.338 CA :: 55.719 CB :: 29.586 CG :: 33.941 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 :: 8.686 HA :: 4.514 HB2 :: 2.091 HB3 :: 2.091 HG2 :: 2.302 HG3 :: 2.434 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.891 Ave N Shift Values>> N :: 120.67(3.48) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 A 0.2 L 0.12 C Shift Assignments>> C :: 177.097 CA :: 53.390 CB :: 46.185 CG :: 25.495 CD1 :: 22.585 CD2 :: 22.500 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 :: 8.489 HA :: 5.402 HB2 :: 1.703 HB3 :: 1.382 HG :: 1.573 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.795 HD22 :: 0.795 HD23 :: 0.795 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 :: 123.976 Ave N Shift Values>> N :: 121.86(3.9) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 A 0.41 I 0.11 C Shift Assignments>> C :: 172.402 CA :: 57.902 CB :: 35.920 CG1 :: 23.508 CG2 :: 19.604 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 :: 9.149 HA :: 5.262 HB :: 2.006 HG11 :: 1.073 HG12 :: 1.073 HG13 :: 1.073 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 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 :: 111.328 Ave N Shift Values>> N :: 121.14(4.54) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 A 0.11 C Shift Assignments>> C :: 176.519 CA :: 52.225 CB :: 46.840 CG :: 26.418 CD1 :: 23.508 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 :: 8.976 HA :: 5.132 HB2 :: 1.707 HB3 :: 1.372 HG :: 1.241 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 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 :: 123.325 Ave N Shift Values>> N :: 121.86(3.9) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 178.232 CA :: 52.513 CB :: 19.254 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.215 HA :: 4.552 HB1 :: 1.669 HB2 :: 1.669 HB3 :: 1.669 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.315 Ave N Shift Values>> N :: 123.23(3.54) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 G 0.22 A 0.14 R 0.03 C Shift Assignments>> C :: 173.376 CA :: 55.683 CB :: 43.863 CG :: 26.428 CD1 :: 24.988 CD2 :: 21.510 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 :: 9.292 HA :: 3.917 HB2 :: 1.280 HB3 :: 0.724 HG :: 1.406 HD11 :: 0.694 HD12 :: 0.694 HD13 :: 0.694 HD21 :: 0.624 HD22 :: 0.624 HD23 :: 0.624 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 :: 127.760 Ave N Shift Values>> N :: 121.86(3.9) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.8 G 0.19 C Shift Assignments>> C :: 173.353 CA :: 54.649 CB :: 42.903 CD1 :: 133.795 CD2 :: 133.795 CE1 :: 117.392 CE2 :: 117.392 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 :: 7.190 HA :: 4.575 HB2 :: 3.097 HB3 :: 2.177 HD1 :: 6.734 HD2 :: 6.734 HE1 :: 6.573 HE2 :: 6.573 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 :: 111.780 Ave N Shift Values>> N :: 120.52(4.2) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.25 K 0.15 F 0.1 Y 0.07 N 0.07 R 0.03 C Shift Assignments>> C :: 176.185 CA :: 54.627 CB :: 41.452 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 :: 8.353 HA :: 4.617 HB2 :: 2.827 HB3 :: 2.647 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 :: 117.825 Ave N Shift Values>> N :: 120.65(3.86) 1.Y69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.84 G 0.15 C Shift Assignments>> C :: 172.847 CA :: 59.139 CB :: 43.201 CD1 :: 133.263 CD2 :: 133.229 CE1 :: 118.046 CE2 :: 118.046 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 :: 8.842 HA :: 4.848 HB2 :: 3.084 HB3 :: 2.827 HD1 :: 7.220 HD2 :: 7.220 HE1 :: 6.923 HE2 :: 6.923 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 :: 120.102 Ave N Shift Values>> N :: 120.52(4.2) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 M 0.31 K 0.24 E 0.02 R 0.01 C Shift Assignments>> C :: 173.849 CA :: 54.190 CB :: 30.336 CG :: 33.102 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 :: 7.769 HA :: 4.282 HB2 :: 1.913 HB3 :: 1.823 HG2 :: 2.119 HG3 :: 2.119 HE21 :: 7.357 HE22 :: 6.819 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.190 NE2 :: 112.020 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.38 M 0.11 R 0.07 E 0.03 HN Overlap>> 1.S73 1.S73 C Shift Assignments>> C :: 175.273 CA :: 56.010 CB :: 29.227 CG :: 33.175 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 :: 8.055 HA :: 4.089 HB2 :: 1.961 HB3 :: 1.875 HG2 :: 2.272 HG3 :: 2.272 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.647 Ave N Shift Values>> N :: 120.67(3.48) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 C Shift Assignments>> C :: 175.673 CA :: 56.010 CB :: 33.085 CG :: 24.005 CD :: 28.618 CE :: 41.891 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 :: 8.277 HA :: 4.346 HB2 :: 1.784 HB3 :: 1.784 HG2 :: 1.411 HG3 :: 1.411 HD2 :: 1.642 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 :: 123.615 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> CA :: 59.503 CB :: 64.813 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.037 HA :: 4.256 HB2 :: 3.840 HB3 :: 3.840 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 :: 122.683 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 66 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 72 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 73 #Suspicious: 0 C Shift Results: #Consistent: 318 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 504 #Duplicate: 0 #Unknown: 0 #Suspicious: 15 #Anomalous: 0 N Shift Results: #Consistent: 75 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 Typing: Mistyped 1.M1 CA = 43.281(A), Expected = 56.11, Std = 2.2300, ChiSquare = 8.7718e-09 1.P4 HD3 = 2.145(S), Expected = 3.61, Std = 0.3900, ChiSquare = 1.7237e-04 1.P7 HG3 = 0.540(S), Expected = 1.90, Std = 0.3300, ChiSquare = 3.7688e-05 1.A11 HB1 = -0.044(S), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2516e-08 1.A11 HB2 = -0.044(S), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2516e-08 1.A11 HB3 = -0.044(S), Expected = 1.35, Std = 0.2600, ChiSquare = 8.2516e-08 1.S29 HB2 = 2.041(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.8950e-13 1.S29 HB3 = 2.892(S), Expected = 3.85, Std = 0.2700, ChiSquare = 3.8795e-04 1.P47 HG2 = 0.379(S), Expected = 1.93, Std = 0.3100, ChiSquare = 5.6379e-07 1.P47 HG3 = 0.624(S), Expected = 1.90, Std = 0.3300, ChiSquare = 1.1033e-04 1.P47 HD2 = 2.458(S), Expected = 3.65, Std = 0.3500, ChiSquare = 6.5991e-04 1.P47 HD3 = 2.286(S), Expected = 3.61, Std = 0.3900, ChiSquare = 6.8661e-04 1.A48 HA = 2.643(S), Expected = 4.26, Std = 0.4400, ChiSquare = 2.3785e-04 1.A48 HB1 = -0.099(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.5028e-08 1.A48 HB2 = -0.099(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.5028e-08 1.A48 HB3 = -0.099(S), Expected = 1.35, Std = 0.2600, ChiSquare = 2.5028e-08