Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.36 E 0.35 I 0.13 K 0.07 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.223 CA :: 59.088 CB :: 29.546 CG :: 36.156 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>> HA :: 4.105 HB2 :: 2.141 HB3 :: 2.141 HG2 :: 2.396 HG3 :: 2.396 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) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 C 0.24 Y 0.15 F 0.1 M 0.07 N 0.05 I 0.04 K 0.02 D 0.01 C Shift Assignments>> C :: 177.151 CA :: 56.552 CB :: 36.901 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 :: 8.639 HA :: 4.524 HB2 :: 3.051 HB3 :: 3.063 HD21 :: 7.960 HD22 :: 7.060 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 :: 117.703 ND2 :: 113.100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.32 R 0.15 C Shift Assignments>> C :: 178.916 CA :: 60.061 CB :: 32.691 CG :: 26.381 CD :: 29.546 CE :: 41.835 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 :: 7.559 HA :: 4.059 HB2 :: 1.941 HB3 :: 1.939 HG2 :: 1.426 HG3 :: 1.618 HD2 :: 1.719 HD3 :: 1.719 HE2 :: 3.021 HE3 :: 3.053 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 :: 119.205 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 HN Overlap>> 1.E80 1.E80 C Shift Assignments>> C :: 179.607 CA :: 59.430 CB :: 32.412 CG :: 25.429 CD :: 29.360 CE :: 41.928 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.907 HA :: 4.055 HB2 :: 1.964 HB3 :: 1.964 HG2 :: 1.570 HG3 :: 1.408 HD2 :: 1.759 HD3 :: 1.759 HE2 :: 3.022 HE3 :: 3.022 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 :: 119.881 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.25 R 0.08 E 0.04 M 0.01 I 0.01 C Shift Assignments>> C :: 178.532 CA :: 58.458 CB :: 28.259 CG :: 33.677 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 :: 8.338 HA :: 4.104 HB2 :: 2.158 HB3 :: 2.268 HG2 :: 2.541 HG3 :: 2.541 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.409 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.38 C 0.05 I 0.05 V 0.01 C Shift Assignments>> C :: 178.458 CA :: 55.800 CB :: 18.915 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.327 HA :: 3.772 HB1 :: 1.735 HB2 :: 1.735 HB3 :: 1.735 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.211 Ave N Shift Values>> N :: 123.23(3.54) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.39 R 0.04 C Shift Assignments>> C :: 179.730 CA :: 57.941 CB :: 42.085 CG :: 27.012 CD1 :: 25.212 CD2 :: 23.940 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 :: 7.655 HA :: 4.165 HB2 :: 1.677 HB3 :: 1.954 HG :: 1.905 HD11 :: 0.994 HD12 :: 0.994 HD13 :: 0.994 HD21 :: 0.995 HD22 :: 0.995 HD23 :: 0.995 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 :: 117.307 Ave N Shift Values>> N :: 121.86(3.9) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.13 HN Overlap>> 1.K127 1.K127 C Shift Assignments>> C :: 179.415 CA :: 58.944 CB :: 31.595 CG :: 24.705 CD :: 28.781 CE :: 41.907 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 :: 7.367 HA :: 4.111 HB2 :: 1.992 HB3 :: 1.987 HG2 :: 1.436 HG3 :: 1.537 HD2 :: 1.709 HD3 :: 1.709 HE2 :: 2.962 HE3 :: 2.962 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 :: 119.952 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.29 I 0.2 K 0.08 Q 0.04 HN Overlap>> 1.R94 1.R94 C Shift Assignments>> C :: 179.079 CA :: 59.337 CB :: 28.601 CG :: 36.063 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 :: 7.980 HA :: 3.975 HB2 :: 1.857 HB3 :: 2.730 HG2 :: 2.032 HG3 :: 2.404 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 :: 119.005 Ave N Shift Values>> N :: 120.67(3.48) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.36 R 0.05 G 0.01 HN Overlap>> 1.A89 1.A89 C Shift Assignments>> C :: 178.069 CA :: 60.251 CB :: 31.055 CG :: 24.232 CD :: 29.750 CE :: 42.091 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 :: 8.613 HA :: 3.783 HB2 :: 2.038 HB3 :: 2.208 HG2 :: 1.593 HG3 :: 1.691 HD2 :: 1.844 HD3 :: 1.844 HE2 :: 2.982 HE3 :: 3.083 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 :: 120.489 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.17 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.398 CA :: 59.448 CB :: 29.267 CG :: 36.171 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 :: 7.922 HA :: 4.087 HB2 :: 2.188 HB3 :: 2.188 HG2 :: 2.497 HG3 :: 2.334 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 :: 119.479 Ave N Shift Values>> N :: 120.67(3.48) 1.L20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 L 0.34 A 0.01 C Shift Assignments>> C :: 181.275 CA :: 57.742 CB :: 40.112 CG :: 26.239 CD1 :: 22.326 CD2 :: 22.326 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 :: 7.863 HA :: 3.904 HB2 :: 1.106 HB3 :: 0.072(S) HG :: 1.615 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 HD21 :: 0.678 HD22 :: 0.678 HD23 :: 0.678 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.554 Ave N Shift Values>> N :: 121.86(3.9) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 P 0.25 A 0.11 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 174.385 CA :: 48.076 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.665 HA2 :: 3.151 HA3 :: 3.512 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.231 Ave N Shift Values>> N :: 109.67(3.87) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 N 0.18 Y 0.17 E 0.15 F 0.12 M 0.05 D 0.04 I 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 177.991 CA :: 55.520 CB :: 37.460 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 :: 9.024 HA :: 4.626 HB2 :: 2.991 HB3 :: 3.232 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 :: 122.002 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 K 0.14 L 0.13 C 0.1 D 0.08 I 0.05 R 0.01 C Shift Assignments>> C :: 178.140 CA :: 57.755 CB :: 40.997 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 :: 8.195 HA :: 4.415 HB2 :: 2.630 HB3 :: 2.770 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 :: 121.793 Ave N Shift Values>> N :: 120.65(3.86) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.3 I 0.03 C 0.01 C Shift Assignments>> C :: 179.327 CA :: 55.091 CB :: 17.389 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.467 HA :: 4.195 HB1 :: 1.606 HB2 :: 1.606 HB3 :: 1.606 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.170 Ave N Shift Values>> N :: 123.23(3.54) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 179.867 CA :: 61.572 CB :: 39.214 CD1 :: 132.900 CD2 :: 132.900 CE1 :: 119.200 CE2 :: 119.200 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 :: 9.096 HA :: 3.831 HB2 :: 3.268 HB3 :: 3.500 HD1 :: 7.170 HD2 :: 7.170 HE1 :: 6.810 HE2 :: 6.810 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 :: 121.325 Ave N Shift Values>> N :: 120.52(4.2) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.11 HN Overlap>> 1.A55 1.A55 C Shift Assignments>> C :: 177.839 CA :: 59.247 CB :: 32.440 CG :: 25.436 CD :: 29.349 CE :: 42.091 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 :: 8.366 HA :: 3.994 HB2 :: 2.048 HB3 :: 2.048 HG2 :: 1.626 HG3 :: 1.626 HD2 :: 1.767 HD3 :: 1.767 HE2 :: 3.031 HE3 :: 3.031 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 :: 120.929 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.38 R 0.14 C Shift Assignments>> C :: 175.324 CA :: 56.265 CB :: 32.526 CG :: 25.336 CD :: 29.174 CE :: 42.021 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 :: 7.177 HA :: 4.232 HB2 :: 1.787 HB3 :: 2.003 HG2 :: 1.480 HG3 :: 1.540 HD2 :: 1.688 HD3 :: 1.607 HE2 :: 2.962 HE3 :: 2.957 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 :: 117.106 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K28 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.21 G 0.01 C Shift Assignments>> C :: 174.474 CA :: 56.903 CB :: 32.21 CG :: 25.078 CD :: 28.895 CE :: 42.473 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 :: 7.723 HA :: 2.681(S) HB2 :: 1.980 HB3 :: 1.545 HG2 :: 1.250 HG3 :: 1.130 HD2 :: 1.659 HD3 :: 1.667 HE2 :: 3.025 HE3 :: 3.029 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 :: 113.543 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.1 C 0.1 F 0.03 Y 0.03 L 0.01 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 177.042 CA :: 51.142 CB :: 38.331 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 :: 7.992 HA :: 4.797 HB2 :: 2.399 HB3 :: 2.860 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.251 Ave N Shift Values>> N :: 120.65(3.86) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 F 0.35 Y 0.08 C Shift Assignments>> C :: 177.308 CA :: 60.132 CB :: 37.682 CD1 :: 130.100 CD2 :: 130.100 CE1 :: 130.400 CE2 :: 130.400 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 :: 7.265 HA :: 4.255 HB2 :: 3.011 HB3 :: 3.091 HD1 :: 7.140 HD2 :: 7.140 HE1 :: 7.310 HE2 :: 7.310 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.112 Ave N Shift Values>> N :: 120.45(4.18) 1.D31 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 L 0.08 I 0.08 D 0.08 K 0.01 N 0.01 C Shift Assignments>> C :: 179.221 CA :: 57.756 CB :: 39.998 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 :: 8.665 HA :: 4.466 HB2 :: 2.670 HB3 :: 2.675 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.332 Ave N Shift Values>> N :: 120.65(3.86) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 C 0.27 C Shift Assignments>> C :: 175.714 CA :: 65.831 CB :: 67.220 CG2 :: 23.430 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 :: 7.344 HA :: 3.793 HB :: 3.791 HG21 :: 1.266 HG22 :: 1.266 HG23 :: 1.266 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 :: 118.678 Ave N Shift Values>> N :: 115.42(4.75) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.19 I 0.1 C 0.03 C Shift Assignments>> C :: 178.029 CA :: 56.260 CB :: 18.047 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.030 HA :: 3.894 HB1 :: 1.536 HB2 :: 1.536 HB3 :: 1.536 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.065 Ave N Shift Values>> N :: 123.23(3.54) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.42 G 0.01 C Shift Assignments>> C :: 178.161 CA :: 58.525 CB :: 42.114 CG :: 26.847 CD1 :: 24.240 CD2 :: 24.226 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 :: 8.137 HA :: 3.999 HB2 :: 1.731 HB3 :: 1.939 HG :: 1.891 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 HD21 :: 0.857 HD22 :: 0.857 HD23 :: 0.857 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.841 Ave N Shift Values>> N :: 121.86(3.9) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 180.071 CA :: 59.562 CB :: 31.857 CG :: 24.734 CD :: 29.148 CE :: 41.904 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 :: 7.282 HA :: 4.054 HB2 :: 1.756 HB3 :: 1.822 HG2 :: 1.201 HG3 :: 1.201 HD2 :: 1.539 HD3 :: 1.539 HE2 :: 2.835 HE3 :: 2.835 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.138 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 H 0.11 C Shift Assignments>> C :: 177.998 CA :: 59.763 CB :: 28.203 CD2 :: 127.400 CE1 :: 139.700 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 :: 7.441 HA :: 4.476 HB2 :: 2.528 HB3 :: 3.683 HD2 :: 6.520 HE1 :: 7.900 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.114 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.23 I 0.17 F 0.16 E 0.12 M 0.02 C Shift Assignments>> C :: 178.102 CA :: 58.850 CB :: 37.550 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 :: 8.687 HA :: 4.526 HB2 :: 2.991 HB3 :: 3.412 HD1 :: 6.790 HD2 :: 6.790 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 :: 118.564 Ave N Shift Values>> N :: 120.52(4.2) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.2 L 0.13 K 0.13 C 0.1 D 0.09 I 0.04 N 0.01 R 0.01 C Shift Assignments>> C :: 178.674 CA :: 57.648 CB :: 40.916 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 :: 8.889 HA :: 4.466 HB2 :: 2.620 HB3 :: 2.911 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.837 Ave N Shift Values>> N :: 120.65(3.86) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.36 R 0.21 C Shift Assignments>> C :: 178.441 CA :: 58.144 CB :: 31.169 CG :: 24.433 CD :: 28.045 CE :: 41.790 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 :: 7.491 HA :: 4.135 HB2 :: 1.967 HB3 :: 1.967 HG2 :: 1.473 HG3 :: 1.462 HD2 :: 1.735 HD3 :: 1.637 HE2 :: 2.907 HE3 :: 2.907 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 :: 120.361 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.79 A 0.12 I 0.06 C 0.01 C Shift Assignments>> C :: 177.643 CA :: 55.836 CB :: 16.420 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.268 HA :: 3.651 HB1 :: 0.743 HB2 :: 0.743 HB3 :: 0.743 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.644 Ave N Shift Values>> N :: 123.23(3.54) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.43 R 0.03 HN Overlap>> 1.F111 1.F111 1.C67 1.C67 C Shift Assignments>> C :: 177.820 CA :: 58.598 CB :: 32.158 CG :: 24.032 CD :: 29.951 CE :: 41.890 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 :: 7.843 HA :: 4.185 HB2 :: 1.887 HB3 :: 1.996 HG2 :: 1.604 HG3 :: 1.534 HD2 :: 1.724 HD3 :: 1.724 HE2 :: 3.031 HE3 :: 3.029 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 :: 116.080 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.38 I 0.08 K 0.05 M 0.05 Q 0.04 C Shift Assignments>> C :: 179.200 CA :: 58.659 CB :: 30.102 CG :: 36.272 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 :: 7.648 HA :: 3.964 HB2 :: 2.178 HB3 :: 2.178 HG2 :: 2.399 HG3 :: 2.399 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.455 Ave N Shift Values>> N :: 120.67(3.48) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 L 0.34 G 0.13 R 0.12 A 0.01 C Shift Assignments>> C :: 177.325 CA :: 56.839 CB :: 43.710 CG :: 26.955 CD1 :: 22.527 CD2 :: 25.837 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 :: 7.896 HA :: 4.155 HB2 :: 1.616 HB3 :: 1.897 HG :: 1.789 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 0.776 HD22 :: 0.776 HD23 :: 0.776 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 :: 118.635 Ave N Shift Values>> N :: 121.86(3.9) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.19 C 0.06 K 0.05 F 0.03 Y 0.02 R 0.02 C Shift Assignments>> C :: 173.760 CA :: 51.218 CB :: 41.574 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 :: 8.135 HA :: 5.126 HB2 :: 2.228 HB3 :: 3.260 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 :: 115.803 Ave N Shift Values>> N :: 120.65(3.86) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.821 CA :: 64.370 CB :: 32.727 CG :: 26.957 CD :: 50.795 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 :: 4.942 HB2 :: 2.085 HB3 :: 2.489 HG2 :: 1.946 HG3 :: 2.154 HD2 :: 3.845 HD3 :: 3.574 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.T46 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 :: 172.614 CA :: 61.468 CB :: 69.093 CG2 :: 21.437 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 :: 7.774 HA :: 4.294 HB :: 4.447 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 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 :: 107.971 Ave N Shift Values>> N :: 115.42(4.75) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.24 C 0.06 L 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.334 CA :: 51.636 CB :: 39.596 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 :: 6.934 HA :: 4.697 HB2 :: 2.399 HB3 :: 2.971 HD21 :: 7.470 HD22 :: 6.890 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.032 ND2 :: 112.200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.42 C Shift Assignments>> C :: 176.775 CA :: 58.860 CB :: 33.061 CG :: 31.255 CE :: 16.900 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 :: 9.810 HA :: 3.894 HB2 :: 1.897 HB3 :: 2.312 HG2 :: 2.541 HG3 :: 2.541 HE1 :: 1.710 HE2 :: 1.710 HE3 :: 1.710 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 :: 126.118 Ave N Shift Values>> N :: 120.09(3.57) 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 :: 176.164 CA :: 64.980 CB :: 68.242 CG2 :: 21.236 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 :: 8.090 HA :: 4.011 HB :: 3.706 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 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 :: 115.234 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>> C 0.67 Y 0.31 C Shift Assignments>> C :: 177.042 CA :: 58.458 CB :: 35.984 CD1 :: 131.490 CD2 :: 131.490 CE1 :: 118.900 CE2 :: 118.900 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 :: 6.527 HA :: 4.486 HB2 :: 2.941 HB3 :: 3.412 HD1 :: 7.050 HD2 :: 7.050 HE1 :: 6.880 HE2 :: 6.880 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 :: 120.071 Ave N Shift Values>> N :: 120.52(4.2) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 179.150 CA :: 64.224 CB :: 38.432 CG1 :: 28.346 CG2 :: 20.219 CD1 :: 14.500 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 :: 7.199 HA :: 4.126 HB :: 1.909 HG12 :: 0.897 HG13 :: 1.771 HG21 :: 1.041 HG22 :: 1.041 HG23 :: 1.041 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 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 :: 117.326 Ave N Shift Values>> N :: 121.46(4.28) 1.T52 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 :: 177.878 CA :: 65.977 CB :: 67.512 CG2 :: 23.229 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 :: 8.208 HA :: 3.858 HB :: 4.204 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 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 :: 113.374 Ave N Shift Values>> N :: 115.42(4.75) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 C 0.24 M 0.15 Y 0.07 K 0.07 Q 0.05 F 0.03 N 0.03 I 0.01 C Shift Assignments>> C :: 177.323 CA :: 56.151 CB :: 35.884 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 :: 8.241 HA :: 4.165 HB2 :: 2.098 HB3 :: 2.085 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 :: 121.924 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.3 I 0.14 K 0.08 Q 0.06 M 0.01 C Shift Assignments>> C :: 178.282 CA :: 59.963 CB :: 29.591 CG :: 35.709 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 :: 7.182 HA :: 3.934 HB2 :: 2.138 HB3 :: 2.138 HG2 :: 2.247 HG3 :: 2.247 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 :: 117.889 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 M 0.37 C 0.08 I 0.04 V 0.04 L 0.02 HN Overlap>> 1.K26 1.K26 C Shift Assignments>> C :: 179.380 CA :: 55.950 CB :: 19.430 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.342 HA :: 4.114 HB1 :: 1.777 HB2 :: 1.777 HB3 :: 1.777 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.928 Ave N Shift Values>> N :: 123.23(3.54) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.31 I 0.05 C 0.02 C Shift Assignments>> C :: 179.699 CA :: 55.448 CB :: 17.911 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.054 HA :: 3.994 HB1 :: 1.576 HB2 :: 1.576 HB3 :: 1.576 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.262 Ave N Shift Values>> N :: 123.23(3.54) 1.V57 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 :: 177.644 CA :: 67.187 CB :: 30.667 CG1 :: 22.239 CG2 :: 23.343 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 :: 7.432 HA :: 3.372 HB :: 2.329 HG11 :: 0.700 HG12 :: 0.700 HG13 :: 0.700 HG21 :: 1.277 HG22 :: 1.277 HG23 :: 1.277 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.872 Ave N Shift Values>> N :: 121.14(4.54) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.49 C Shift Assignments>> C :: 177.325 CA :: 64.370 CB :: 37.190 CD1 :: 133.600 CD2 :: 133.600 CE1 :: 118.600 CE2 :: 118.600 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 :: 7.658 HA :: 3.954 HB2 :: 2.539 HB3 :: 3.402 HD1 :: 7.100 HD2 :: 7.100 HE1 :: 6.780 HE2 :: 6.780 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 :: 116.392 Ave N Shift Values>> N :: 120.52(4.2) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 178.548 CA :: 62.070 CB :: 38.693 CD1 :: 132.000 CD2 :: 132.000 CE1 :: 131.500 CE2 :: 131.500 CZ :: 130.200 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 :: 8.591 HA :: 3.813 HB2 :: 3.593 HB3 :: 3.673 HD1 :: 7.460 HD2 :: 7.460 HE1 :: 7.310 HE2 :: 7.310 HZ :: 7.330 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.039 Ave N Shift Values>> N :: 120.45(4.18) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.13 K 0.11 Q 0.07 C Shift Assignments>> C :: 178.836 CA :: 58.890 CB :: 28.860 CG :: 35.884 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 :: 8.085 HA :: 4.034 HB2 :: 1.681 HB3 :: 1.828 HG2 :: 2.301 HG3 :: 2.660 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.020 Ave N Shift Values>> N :: 120.67(3.48) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.46 R 0.01 C Shift Assignments>> C :: 176.582 CA :: 57.154 CB :: 32.774 CG :: 24.433 CD :: 29.363 CE :: 40.787 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 :: 7.675 HA :: 4.074 HB2 :: 1.655 HB3 :: 1.988 HG2 :: 1.370 HG3 :: 1.370 HD2 :: 1.451 HD3 :: 1.451 HE2 :: 2.965 HE3 :: 2.791 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 :: 115.767 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.52 L 0.23 R 0.12 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.915 CA :: 44.512 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.488 HA2 :: 2.740(S) HA3 :: 3.864 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.292 Ave N Shift Values>> N :: 109.67(3.87) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.21 C 0.07 L 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.962 CA :: 50.920 CB :: 39.482 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 :: 7.865 HA :: 4.696 HB2 :: 2.349 HB3 :: 2.981 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 :: 120.929 Ave N Shift Values>> N :: 120.65(3.86) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.48 C Shift Assignments>> C :: 177.839 CA :: 60.908 CB :: 36.905 CD1 :: 131.800 CD2 :: 131.800 CE1 :: 118.200 CE2 :: 118.200 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 :: 7.103 HA :: 3.974 HB2 :: 2.720 HB3 :: 2.961 HD1 :: 6.880 HD2 :: 6.880 HE1 :: 6.240 HE2 :: 6.240 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 :: 122.072 Ave N Shift Values>> N :: 120.52(4.2) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.21 C 0.2 I 0.07 E 0.07 N 0.06 D 0.04 L 0.02 M 0.02 C Shift Assignments>> C :: 177.432 CA :: 56.990 CB :: 38.213 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 :: 8.742 HA :: 4.315 HB2 :: 2.750 HB3 :: 2.820 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 :: 118.456 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 K 0.26 R 0.25 C Shift Assignments>> C :: 178.193 CA :: 57.756 CB :: 31.757 CG :: 23.329 CD :: 27.591 CE :: 41.742 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 :: 7.619 HA :: 3.884 HB2 :: 0.921(S) HB3 :: 1.355 HG2 :: 0.286(S) HG3 :: 0.601 HD2 :: 1.255 HD3 :: 1.136 HE2 :: 2.508 HE3 :: 2.617 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 :: 121.459 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.4 I 0.4 C 0.15 R 0.01 K 0.01 HN Overlap>> 1.K41 1.K41 C Shift Assignments>> C :: 176.346 CA :: 62.672 CB :: 26.239 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.860 HA :: 4.034 HB2 :: 3.051 HB3 :: 3.392 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 :: 116.063 Ave N Shift Values>> N :: 120.17(4.64) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.41 G 0.07 K 0.04 HN Overlap>> 1.K101 1.K101 C Shift Assignments>> C :: 177.441 CA :: 59.337 CB :: 29.733 CG :: 27.871 CD :: 43.325 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 :: 8.257 HA :: 4.183 HB2 :: 2.085 HB3 :: 1.908 HG2 :: 1.789 HG3 :: 1.789 HD2 :: 3.182 HD3 :: 3.258 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 :: 118.942 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.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.12 K 0.06 Q 0.03 M 0.02 C Shift Assignments>> C :: 180.035 CA :: 59.261 CB :: 29.764 CG :: 36.185 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.974 HA :: 3.994 HB2 :: 2.048 HB3 :: 2.138 HG2 :: 2.388 HG3 :: 2.388 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 :: 119.700 Ave N Shift Values>> N :: 120.67(3.48) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.36 R 0.19 HN Overlap>> 1.D29 1.D29 C Shift Assignments>> C :: 179.038 CA :: 57.555 CB :: 42.105 CG :: 27.443 CD1 :: 26.941 CD2 :: 22.828 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 :: 8.078 HA :: 4.104 HB2 :: 1.456 HB3 :: 1.967 HG :: 1.713 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 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 :: 119.268 Ave N Shift Values>> N :: 121.86(3.9) 1.C71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 P 0.29 C 0.12 V 0.05 C Shift Assignments>> C :: 176.670 CA :: 65.758 CB :: 28.359 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.525 HA :: 3.904 HB2 :: 2.312 HB3 :: 3.091 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.150 Ave N Shift Values>> N :: 120.17(4.64) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.27 E 0.27 K 0.03 C Shift Assignments>> C :: 179.660 CA :: 60.351 CB :: 29.563 CG :: 36.687 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 :: 8.300 HA :: 3.934 HB2 :: 2.098 HB3 :: 2.188 HG2 :: 2.486 HG3 :: 2.486 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 :: 118.476 Ave N Shift Values>> N :: 120.67(3.48) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.37 R 0.22 C Shift Assignments>> C :: 178.193 CA :: 58.232 CB :: 31.369 CG :: 24.547 CD :: 28.259 CE :: 41.991 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 :: 7.705 HA :: 4.205 HB2 :: 2.048 HB3 :: 2.048 HG2 :: 1.543 HG3 :: 1.612 HD2 :: 1.756 HD3 :: 1.756 HE2 :: 2.976 HE3 :: 2.900 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 :: 120.889 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.45 C 0.03 I 0.03 C Shift Assignments>> C :: 179.242 CA :: 55.135 CB :: 18.527 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.790 HA :: 3.914 HB1 :: 1.506 HB2 :: 1.506 HB3 :: 1.506 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.229 Ave N Shift Values>> N :: 123.23(3.54) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 176.836 CA :: 66.184 CB :: 38.392 CG1 :: 31.068 CG2 :: 17.109 CD1 :: 13.109 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 :: 8.043 HA :: 3.312 HB :: 1.797 HG12 :: 0.482 HG13 :: 0.482 HG21 :: 0.817 HG22 :: 0.817 HG23 :: 0.817 HD11 :: 0.068 HD12 :: 0.068 HD13 :: 0.068 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 :: 118.494 Ave N Shift Values>> N :: 121.46(4.28) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 I 0.19 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.716 CA :: 59.986 CB :: 29.664 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 :: 7.515 HA :: 4.044 HB2 :: 2.268 HB3 :: 2.278 HG2 :: 2.464 HG3 :: 2.464 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 :: 119.775 Ave N Shift Values>> N :: 120.67(3.48) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 179.291 CA :: 66.413 CB :: 32.432 CG1 :: 20.835 CG2 :: 22.841 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 :: 8.211 HA :: 3.743 HB :: 2.088 HG11 :: 0.809 HG12 :: 0.809 HG13 :: 0.809 HG21 :: 1.070 HG22 :: 1.070 HG23 :: 1.070 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.392 Ave N Shift Values>> N :: 121.14(4.54) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 P 0.24 A 0.11 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 176.722 CA :: 48.073 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.230 HA2 :: 4.033 HA3 :: 4.031 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.996 Ave N Shift Values>> N :: 109.67(3.87) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.42 G 0.07 K 0.04 C Shift Assignments>> C :: 180.549 CA :: 59.337 CB :: 29.764 CG :: 27.778 CD :: 43.325 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 :: 8.932 HA :: 4.185 HB2 :: 1.911 HB3 :: 2.095 HG2 :: 1.799 HG3 :: 1.799 HD2 :: 3.182 HD3 :: 3.262 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.556 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.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.1 K 0.06 Q 0.04 M 0.03 HN Overlap>> 1.K12 1.K12 C Shift Assignments>> C :: 177.361 CA :: 59.103 CB :: 29.867 CG :: 36.142 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 :: 7.995 HA :: 4.155 HB2 :: 2.128 HB3 :: 2.228 HG2 :: 2.406 HG3 :: 2.335 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 :: 119.918 Ave N Shift Values>> N :: 120.67(3.48) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.28 L 0.11 F 0.1 Y 0.08 C 0.07 C Shift Assignments>> C :: 173.323 CA :: 53.843 CB :: 39.797 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 :: 7.745 HA :: 4.827 HB2 :: 2.740 HB3 :: 2.981 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 L 0.31 R 0.16 G 0.08 K 0.05 C Shift Assignments>> C :: 175.855 CA :: 57.010 CB :: 26.741 CG :: 27.591 CD :: 43.418 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.844 HA :: 4.040 HB2 :: 2.011 HB3 :: 2.011 HG2 :: 1.658 HG3 :: 1.658 HD2 :: 3.285 HD3 :: 3.285 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 :: 116.935 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.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.4 M 0.12 I 0.02 K 0.01 Q 0.01 C Shift Assignments>> C :: 175.359 CA :: 56.058 CB :: 30.757 CG :: 36.994 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 :: 8.500 HA :: 4.152 HB2 :: 1.722 HB3 :: 1.983 HG2 :: 2.527 HG3 :: 2.315 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 :: 118.693 Ave N Shift Values>> N :: 120.67(3.48) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.25 D 0.14 K 0.1 F 0.06 C 0.04 Y 0.04 G 0.02 C Shift Assignments>> C :: 178.282 CA :: 55.170 CB :: 42.922 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 :: 8.688 HA :: 4.413 HB2 :: 2.672 HB3 :: 2.811 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 :: 122.634 Ave N Shift Values>> N :: 120.65(3.86) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Y 0.43 C Shift Assignments>> C :: 177.239 CA :: 60.059 CB :: 37.482 CD1 :: 134.220 CD2 :: 134.220 CE1 :: 118.630 CE2 :: 118.630 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 :: 8.028 HA :: 4.319 HB2 :: 3.333 HB3 :: 3.407 HD1 :: 7.280 HD2 :: 7.280 HE1 :: 6.880 HE2 :: 6.880 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 :: 126.492 Ave N Shift Values>> N :: 120.52(4.2) 1.R86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.43 R 0.38 K 0.13 G 0.03 L 0.01 C Shift Assignments>> C :: 180.383 CA :: 59.255 CB :: 29.453 CG :: 26.660 CD :: 42.859 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 :: 8.143 HA :: 3.659 HB2 :: 1.490 HB3 :: 1.482 HG2 :: 0.647(S) HG3 :: 0.647 HD2 :: 2.841 HD3 :: 2.837 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.266 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.Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 C 0.28 Q 0.26 R 0.08 M 0.05 E 0.02 C Shift Assignments>> C :: 179.575 CA :: 57.661 CB :: 28.787 CG :: 33.177 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 :: 7.778 HA :: 4.200 HB2 :: 2.197 HB3 :: 2.197 HG2 :: 2.456 HG3 :: 2.315 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 :: 117.112 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I88 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 :: 178.069 CA :: 64.830 CB :: 36.994 CG1 :: 28.522 CG2 :: 18.002 CD1 :: 11.765 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 :: 7.240 HA :: 3.446 HB :: 2.236 HG12 :: 1.143 HG13 :: 1.567 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.842 Ave N Shift Values>> N :: 121.46(4.28) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.3 M 0.18 C 0.16 V 0.13 L 0.12 T 0.06 I 0.02 HN Overlap>> 1.K18 1.K18 C Shift Assignments>> C :: 182.001 CA :: 56.408 CB :: 20.312 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.583 HA :: 4.355 HB1 :: 2.008 HB2 :: 2.008 HB3 :: 2.008 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.560 Ave N Shift Values>> N :: 123.23(3.54) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 C Shift Assignments>> C :: 178.884 CA :: 59.523 CB :: 32.805 CG :: 25.429 CD :: 29.432 CE :: 41.928 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 :: 7.604 HA :: 4.165 HB2 :: 1.951 HB3 :: 1.947 HG2 :: 1.496 HG3 :: 1.496 HD2 :: 1.749 HD3 :: 1.668 HE2 :: 2.932 HE3 :: 2.932 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 :: 120.302 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A91 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 C Shift Assignments>> C :: 179.770 CA :: 55.520 CB :: 17.816 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.595 HA :: 4.183 HB1 :: 1.285 HB2 :: 1.285 HB3 :: 1.285 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.336 Ave N Shift Values>> N :: 123.23(3.54) 1.Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 178.689 CA :: 61.813 CB :: 38.578 CD1 :: 132.030 CD2 :: 132.030 CE1 :: 119.180 CE2 :: 119.180 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 :: 7.915 HA :: 4.571 HB2 :: 2.942 HB3 :: 3.621 HD1 :: 7.160 HD2 :: 7.160 HE1 :: 7.000 HE2 :: 7.000 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.829 Ave N Shift Values>> N :: 120.52(4.2) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.24 I 0.07 C 0.03 C Shift Assignments>> C :: 178.416 CA :: 55.950 CB :: 18.002 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.221 HA :: 4.185 HB1 :: 1.724 HB2 :: 1.724 HB3 :: 1.724 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.944 Ave N Shift Values>> N :: 123.23(3.54) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.27 L 0.09 K 0.06 G 0.02 HN Overlap>> 1.E17 1.E17 C Shift Assignments>> C :: 179.238 CA :: 59.223 CB :: 27.950 CG :: 27.591 CD :: 42.394 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>> H :: 7.999 HA :: 4.047 HB2 :: 2.150 HB3 :: 2.148 HG2 :: 1.474 HG3 :: 1.394 HD2 :: 2.841 HD3 :: 2.719 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 :: 119.009 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.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 180.301 CA :: 66.708 CB :: 37.811 CG1 :: 30.456 CG2 :: 17.351 CD1 :: 14.279 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 :: 7.833 HA :: 3.370 HB :: 1.974 HG12 :: 2.022 HG13 :: 2.019 HG21 :: -0.050 HG22 :: -0.050 HG23 :: -0.050 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 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 :: 120.696 Ave N Shift Values>> N :: 121.46(4.28) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.68 A 0.14 N 0.06 G 0.03 C 0.02 D 0.01 C Shift Assignments>> C :: 174.651 CA :: 48.910 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.647 HA2 :: 3.751 HA3 :: 3.374 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.871 Ave N Shift Values>> N :: 109.67(3.87) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.19 Y 0.17 F 0.13 E 0.1 D 0.06 M 0.04 I 0.02 L 0.02 C Shift Assignments>> C :: 178.056 CA :: 55.334 CB :: 37.739 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 :: 9.392 HA :: 4.859 HB2 :: 3.007 HB3 :: 3.007 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.231 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.046 CA :: 62.700 CB :: 62.675 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.485 HA :: 3.983 HB2 :: 3.891 HB3 :: 4.059 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.411 Ave N Shift Values>> N :: 116.28(3.52) 1.Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 178.606 CA :: 62.037 CB :: 37.277 CD1 :: 132.310 CD2 :: 132.310 CE1 :: 118.630 CE2 :: 118.630 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 :: 7.370 HA :: 4.385 HB2 :: 2.616 HB3 :: 3.621 HD1 :: 6.920 HD2 :: 6.920 HE1 :: 6.610 HE2 :: 6.610 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 :: 121.027 Ave N Shift Values>> N :: 120.52(4.2) 1.F100 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 179.898 CA :: 62.062 CB :: 40.139 CD1 :: 132.000 CD2 :: 132.000 CE1 :: 131.500 CE2 :: 131.500 CZ :: 131.600 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 :: 9.013 HA :: 3.635 HB2 :: 3.680 HB3 :: 3.430 HD1 :: 7.380 HD2 :: 7.380 HE1 :: 7.480 HE2 :: 7.480 HZ :: 7.380 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 :: 123.698 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HA > HB2 : 0.9952) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.23 HN Overlap>> 1.R68 1.R68 C Shift Assignments>> C :: 177.609 CA :: 57.734 CB :: 31.574 CG :: 25.150 CD :: 28.222 CE :: 42.021 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 :: 8.164 HA :: 4.105 HB2 :: 1.546 HB3 :: 1.545 HG2 :: 1.698 HG3 :: 1.386 HD2 :: 1.860 HD3 :: 1.779 HE2 :: 3.103 HE3 :: 3.103 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 :: 118.902 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 E 0.2 M 0.08 I 0.03 C Shift Assignments>> C :: 174.433 CA :: 56.337 CB :: 31.222 CG :: 38.297 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.833 HA :: 4.272 HB2 :: 2.029 HB3 :: 2.244 HG2 :: 2.335 HG3 :: 2.335 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 :: 115.711 Ave N Shift Values>> N :: 120.67(3.48) 1.E103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 I 0.17 E 0.1 K 0.07 L 0.02 Q 0.01 C Shift Assignments>> C :: 174.956 CA :: 57.082 CB :: 26.081 CG :: 36.863 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 :: 7.640 HA :: 2.649(S) HB2 :: 2.011 HB3 :: 2.011 HG2 :: 2.010 HG3 :: 2.140 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 :: 112.620 Ave N Shift Values>> N :: 120.67(3.48) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.36 R 0.13 G 0.03 C Shift Assignments>> C :: 177.520 CA :: 53.824 CB :: 30.922 CG :: 24.591 CD :: 29.805 CE :: 42.487 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 :: 7.772 HA :: 4.468 HB2 :: 1.759 HB3 :: 2.150 HG2 :: 1.466 HG3 :: 1.324 HD2 :: 1.830 HD3 :: 1.830 HE2 :: 3.063 HE3 :: 2.992 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 :: 121.427 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Y 0.44 C Shift Assignments>> C :: 177.255 CA :: 62.596 CB :: 38.484 CD1 :: 131.500 CD2 :: 131.500 CE1 :: 119.500 CE2 :: 119.500 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 :: 6.795 HA :: 3.947 HB2 :: 2.709 HB3 :: 3.128 HD1 :: 6.880 HD2 :: 6.880 HE1 :: 6.170 HE2 :: 6.170 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 :: 117.967 Ave N Shift Values>> N :: 120.52(4.2) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.41 R 0.09 C Shift Assignments>> C :: 179.224 CA :: 60.318 CB :: 31.858 CG :: 25.522 CD :: 29.153 CE :: 41.928 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 :: 8.743 HA :: 3.975 HB2 :: 1.810 HB3 :: 1.843 HG2 :: 1.522 HG3 :: 1.385 HD2 :: 1.678 HD3 :: 1.678 HE2 :: 2.972 HE3 :: 2.972 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 :: 119.458 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.13 D 0.1 L 0.09 I 0.06 N 0.03 K 0.01 C Shift Assignments>> C :: 177.520 CA :: 57.196 CB :: 39.787 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 :: 7.483 HA :: 4.195 HB2 :: 1.688(S) HB3 :: 1.688(S) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.634 Ave N Shift Values>> N :: 120.65(3.86) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.2 I 0.08 C 0.03 C Shift Assignments>> C :: 177.963 CA :: 56.058 CB :: 17.795 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.039 HA :: 4.053 HB1 :: 1.597 HB2 :: 1.597 HB3 :: 1.597 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.467 Ave N Shift Values>> N :: 123.23(3.54) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 HN Overlap>> 1.H119 1.H119 C Shift Assignments>> C :: 177.475 CA :: 65.947 CB :: 39.394 CG1 :: 30.757 CG2 :: 17.351 CD1 :: 15.117 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 :: 8.305 HA :: 3.882 HB :: 1.918 HG12 :: 2.083 HG13 :: 1.426 HG21 :: 1.011 HG22 :: 1.011 HG23 :: 1.011 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 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 :: 116.973 Ave N Shift Values>> N :: 121.46(4.28) 1.H110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 H 0.44 HN Overlap>> 1.A117 1.A117 C Shift Assignments>> C :: 178.494 CA :: 59.968 CB :: 29.898 CD2 :: 120.800 CE1 :: 138.600 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 :: 7.644 HA :: 4.232 HB2 :: 3.037 HB3 :: 3.270 HD2 :: 5.500(S) HE1 :: 7.550 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 :: 119.014 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.38 C 0.21 HN Overlap>> 1.K41 1.K41 C Shift Assignments>> C :: 178.919 CA :: 63.889 CB :: 38.742 CD1 :: 131.800 CD2 :: 131.800 CE1 :: 132.000 CE2 :: 132.000 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 :: 7.731 HA :: 3.947 HB2 :: 2.653 HB3 :: 3.468 HD1 :: 7.650 HD2 :: 7.650 HE1 :: 7.160 HE2 :: 7.160 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 :: 116.069 Ave N Shift Values>> N :: 120.45(4.18) 1.Y112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 Y 0.14 C Shift Assignments>> C :: 178.759 CA :: 58.696 CB :: 36.262 CD1 :: 130.600 CD2 :: 130.600 CE1 :: 117.500 CE2 :: 117.500 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 :: 9.586 HA :: 4.592 HB2 :: 2.932 HB3 :: 3.323 HD1 :: 6.950 HD2 :: 6.950 HE1 :: 6.830 HE2 :: 6.830 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 :: 122.350 Ave N Shift Values>> N :: 120.52(4.2) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.21 E 0.17 F 0.15 N 0.06 I 0.05 M 0.04 D 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 179.016 CA :: 56.710 CB :: 37.532 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 :: 8.939 HA :: 4.536 HB2 :: 2.537 HB3 :: 2.894 HD21 :: 7.110 HD22 :: 6.890 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 :: 118.773 ND2 :: 111.500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.36 R 0.09 C Shift Assignments>> C :: 178.601 CA :: 59.409 CB :: 30.541 CG :: 24.405 CD :: 28.522 CE :: 41.370 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 :: 7.343 HA :: 3.761 HB2 :: 1.303 HB3 :: 1.303 HG2 :: 0.823 HG3 :: 0.897 HD2 :: 1.062 HD3 :: 1.021 HE2 :: 2.568 HE3 :: 2.446 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 :: 121.153 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.635 CA :: 62.616 CB :: 63.713 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.017 HA :: 4.208 HB2 :: 4.282 HB3 :: 4.712 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 :: 112.124 Ave N Shift Values>> N :: 116.28(3.52) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.36 R 0.06 C Shift Assignments>> C :: 178.034 CA :: 57.010 CB :: 42.114 CG :: 27.033 CD1 :: 24.519 CD2 :: 25.522 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 :: 8.741 HA :: 4.151 HB2 :: 1.424 HB3 :: 1.962 HG :: 2.043 HD11 :: 1.062 HD12 :: 1.062 HD13 :: 1.062 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 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 :: 117.778 Ave N Shift Values>> N :: 121.86(3.9) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.36 C 0.01 I 0.01 HN Overlap>> 1.H110 1.H110 C Shift Assignments>> C :: 179.291 CA :: 54.031 CB :: 18.189 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.657 HA :: 4.049 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.035 Ave N Shift Values>> N :: 123.23(3.54) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 Q 0.11 M 0.11 K 0.08 I 0.02 C Shift Assignments>> C :: 176.847 CA :: 57.641 CB :: 30.395 CG :: 35.577 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 :: 7.318 HA :: 4.352 HB2 :: 2.299 HB3 :: 2.513 HG2 :: 2.406 HG3 :: 2.612 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.735 Ave N Shift Values>> N :: 120.67(3.48) 1.H119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 H 0.42 Y 0.01 HN Overlap>> 1.I109 1.I109 C Shift Assignments>> C :: 172.886 CA :: 55.779 CB :: 33.689 CD2 :: 119.500 CE1 :: 138.300 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.399 HA :: 4.792 HB2 :: 2.948 HB3 :: 3.072 HD2 :: 7.136 HE1 :: 7.740 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 :: 117.007 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 K 0.07 G 0.06 C Shift Assignments>> C :: 175.063 CA :: 57.827 CB :: 29.737 CG :: 28.057 CD :: 43.304 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 :: 8.806 HA :: 4.152 HB2 :: 1.778 HB3 :: 1.778 HG2 :: 1.456 HG3 :: 1.648 HD2 :: 3.206 HD3 :: 3.204 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 :: 130.659 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.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 C 0.42 A 0.03 C Shift Assignments>> C :: 173.217 CA :: 57.638 CB :: 70.679 CG2 :: 22.148 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 :: 6.599 HA :: 4.787 HB :: 4.254 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 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 :: 113.999 Ave N Shift Values>> N :: 115.42(4.75) 1.P122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> CA :: 64.809 CB :: 31.760 CG :: 27.198 CD :: 50.938 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 :: 4.256 HB2 :: 2.012 HB3 :: 2.376 HG2 :: 2.075 HG3 :: 2.180 HD2 :: 3.822 HD3 :: 3.909 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.D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 D 0.14 L 0.12 C 0.11 I 0.04 N 0.04 K 0.03 C Shift Assignments>> C :: 178.477 CA :: 56.844 CB :: 40.159 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 :: 8.642 HA :: 4.292 HB2 :: 2.569 HB3 :: 2.569 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 :: 115.898 Ave N Shift Values>> N :: 120.65(3.86) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 177.166 CA :: 66.133 CB :: 31.129 CG1 :: 22.099 CG2 :: 24.426 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 :: 7.045 HA :: 3.332 HB :: 1.967 HG11 :: 0.957 HG12 :: 0.957 HG13 :: 0.957 HG21 :: 0.944 HG22 :: 0.944 HG23 :: 0.944 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 :: 119.650 Ave N Shift Values>> N :: 121.14(4.54) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.42 R 0.02 C Shift Assignments>> C :: 178.548 CA :: 58.671 CB :: 41.866 CG :: 26.754 CD1 :: 25.149 CD2 :: 24.054 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 :: 7.547 HA :: 3.927 HB2 :: 1.586 HB3 :: 1.723 HG :: 1.530 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 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 :: 121.626 Ave N Shift Values>> N :: 121.86(3.9) 1.K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.07 C Shift Assignments>> C :: 179.345 CA :: 59.462 CB :: 32.367 CG :: 25.115 CD :: 29.251 CE :: 42.021 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 :: 7.795 HA :: 4.014 HB2 :: 1.837 HB3 :: 1.837 HG2 :: 1.537 HG3 :: 1.386 HD2 :: 1.684 HD3 :: 1.680 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 :: 117.377 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 K 0.38 R 0.18 HN Overlap>> 1.K16 1.K16 C Shift Assignments>> C :: 177.910 CA :: 58.127 CB :: 31.595 CG :: 24.799 CD :: 27.964 CE :: 41.649 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 :: 7.342 HA :: 3.903 HB2 :: 1.366 HB3 :: 1.247 HG2 :: 1.256 HG3 :: 1.251 HD2 :: 1.366 HD3 :: 1.251 HE2 :: 2.289(S) HE3 :: 2.519 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 :: 119.985 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 I 0.38 C 0.13 R 0.01 C Shift Assignments>> C :: 176.718 CA :: 63.133 CB :: 26.288 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.271 HA :: 4.071 HB2 :: 2.516 HB3 :: 3.286 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.772 Ave N Shift Values>> N :: 120.17(4.64) 1.Q129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.22 K 0.19 E 0.09 I 0.05 R 0.05 C Shift Assignments>> C :: 179.492 CA :: 59.037 CB :: 28.057 CG :: 34.367 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 :: 8.277 HA :: 4.163 HB2 :: 2.038 HB3 :: 2.306 HG2 :: 2.679 HG3 :: 2.429 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 :: 117.454 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.23 K 0.23 R 0.06 E 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 178.388 CA :: 59.130 CB :: 28.336 CG :: 33.901 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 :: 8.209 HA :: 4.124 HB2 :: 2.311 HB3 :: 2.405 HG2 :: 2.637 HG3 :: 2.488 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 :: 120.672 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.39 I 0.04 C 0.04 C Shift Assignments>> C :: 178.280 CA :: 55.499 CB :: 18.589 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.488 HA :: 4.022 HB1 :: 1.938 HB2 :: 1.938 HB3 :: 1.938 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.550 Ave N Shift Values>> N :: 123.23(3.54) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.26 I 0.2 M 0.02 K 0.01 C Shift Assignments>> C :: 178.937 CA :: 59.803 CB :: 30.321 CG :: 37.367 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 :: 8.516 HA :: 3.882 HB2 :: 2.253 HB3 :: 2.039 HG2 :: 2.619 HG3 :: 2.612 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.853 Ave N Shift Values>> N :: 120.67(3.48) 1.K133 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 C Shift Assignments>> C :: 178.618 CA :: 59.503 CB :: 32.412 CG :: 25.078 CD :: 29.267 CE :: 41.928 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 :: 7.867 HA :: 3.994 HB2 :: 1.971 HB3 :: 1.974 HG2 :: 1.537 HG3 :: 1.405 HD2 :: 1.673 HD3 :: 1.673 HE2 :: 3.002 HE3 :: 3.005 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 :: 120.138 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 178.884 CA :: 64.902 CB :: 38.204 CG1 :: 29.153 CG2 :: 17.444 CD1 :: 13.813 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 :: 7.747 HA :: 3.612 HB :: 1.194 HG12 :: 1.643 HG13 :: 0.889 HG21 :: 0.374 HG22 :: 0.374 HG23 :: 0.374 HD11 :: 0.617 HD12 :: 0.617 HD13 :: 0.617 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 :: 119.746 Ave N Shift Values>> N :: 121.46(4.28) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.37 R 0.05 G 0.01 C Shift Assignments>> C :: 179.471 CA :: 57.661 CB :: 42.304 CG :: 26.754 CD1 :: 25.450 CD2 :: 24.841 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 :: 7.735 HA :: 4.007 HB2 :: 1.719 HB3 :: 1.723 HG :: 1.678 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 HD21 :: 0.950 HD22 :: 0.950 HD23 :: 0.950 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.242 Ave N Shift Values>> N :: 121.86(3.9) 1.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.43 R 0.12 C Shift Assignments>> C :: 178.246 CA :: 58.119 CB :: 32.440 CG :: 25.057 CD :: 28.874 CE :: 41.928 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 :: 7.810 HA :: 4.161 HB2 :: 1.961 HB3 :: 1.964 HG2 :: 1.542 HG3 :: 1.537 HD2 :: 1.631 HD3 :: 1.709 HE2 :: 2.997 HE3 :: 2.997 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 :: 117.964 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 I 0.08 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 177.095 CA :: 57.482 CB :: 29.640 CG :: 36.715 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 :: 7.793 HA :: 4.245 HB2 :: 2.150 HB3 :: 2.150 HG2 :: 2.497 HG3 :: 2.305 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.818 Ave N Shift Values>> N :: 120.67(3.48) 1.Q138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.25 C 0.23 E 0.09 M 0.07 R 0.02 C Shift Assignments>> C :: 175.413 CA :: 55.986 CB :: 29.498 CG :: 33.994 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 :: 7.737 HA :: 4.403 HB2 :: 2.141 HB3 :: 2.271 HG2 :: 2.497 HG3 :: 2.598 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.229 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.35 M 0.08 I 0.05 C Shift Assignments>> C :: 181.204 CA :: 58.583 CB :: 31.100 CG :: 37.056 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 :: 7.692 HA :: 4.116 HB2 :: 2.000 HB3 :: 2.000 HG2 :: 2.310 HG3 :: 2.270 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 :: 126.451 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 129 #Clerical: 0 #Suspicious: 10 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 131 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 137 #Suspicious: 2 C Shift Results: #Consistent: 607 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 923 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 131 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L20 HB3 = 0.072(S), Expected = 1.52, Std = 0.3600, ChiSquare = 5.7652e-05 1.K28 HA = 2.681(S), Expected = 4.27, Std = 0.4400, ChiSquare = 3.0459e-04 1.K28 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K28 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.G62 HA2 = 2.740(S), Expected = 3.97, Std = 0.3700, ChiSquare = 8.8633e-04 1.K66 HB2 = 0.921(S), Expected = 1.78, Std = 0.2500, ChiSquare = 5.9037e-04 1.K66 HG2 = 0.286(S), Expected = 1.37, Std = 0.2600, ChiSquare = 3.0563e-05 1.R86 HG2 = 0.647(S), Expected = 1.57, Std = 0.2700, ChiSquare = 6.2963e-04 1.F100 SRO Rule Break>> HA > HB2 : 0.995201919232307 1.E103 HA = 2.649(S), Expected = 4.25, Std = 0.4100, ChiSquare = 9.4273e-05 1.D107 HB2 = 1.688(S), Expected = 2.72, Std = 0.2600, ChiSquare = 7.2105e-05 1.D107 HB3 = 1.688(S), Expected = 2.66, Std = 0.2800, ChiSquare = 5.1770e-04 1.H110 HD2 = 5.500(S), Expected = 7.00, Std = 0.4300, ChiSquare = 4.8597e-04 1.K127 HE2 = 2.289(S), Expected = 2.92, Std = 0.1900, ChiSquare = 8.9679e-04