Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.5 C 0.36 A 0.12 C Shift Assignments>> CA :: 55.569 CB :: 32.814 CG :: 31.919 CE :: 16.935 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>> HB2 :: 1.970 HB3 :: 2.077 HG2 :: 2.465 HG3 :: 2.543 HE1 :: 2.069 HE2 :: 2.069 HE3 :: 2.069 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.850 CA :: 45.306 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.949 HA3 :: 3.949 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 M 0.07 E 0.06 R 0.02 HN Overlap>> 1.V218 1.V218 C Shift Assignments>> C :: 175.820 CA :: 55.805 CB :: 29.464 CG :: 33.766 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 :: 8.200 HA :: 4.351 HB2 :: 1.961 HB3 :: 2.074 HG2 :: 2.334 HG3 :: 2.335 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 :: 119.746 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.28 C 0.21 M 0.06 R 0.05 E 0.02 HN Overlap>> 1.R29 1.R29 C Shift Assignments>> C :: 173.991 CA :: 53.754 CB :: 29.018 CG :: 33.566 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 :: 8.464 HA :: 4.598 HB2 :: 1.924 HB3 :: 2.086 HG2 :: 2.376 HG3 :: 2.377 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.833 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.410 CA :: 63.433 CB :: 32.073 CG :: 27.264 CD :: 50.623 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 :: 4.402 HB2 :: 1.919 HB3 :: 2.265 HG2 :: 1.979 HG3 :: 2.001 HD2 :: 3.645 HD3 :: 3.744 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.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.991 CA :: 45.256 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.420 HA2 :: 3.922 HA3 :: 3.922 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.055 Ave N Shift Values>> N :: 109.67(3.87) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.11 G 0.01 HN Overlap>> 1.K28 1.K28 C Shift Assignments>> C :: 176.273 CA :: 56.134 CB :: 33.223 CG :: 24.784 CD :: 29.120 CE :: 42.306 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 :: 8.145 HA :: 4.352 HB2 :: 1.766 HB3 :: 1.766 HG2 :: 1.414 HG3 :: 1.414 HD2 :: 1.666 HD3 :: 1.666 HE2 :: 2.981 HE3 :: 2.981 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.846 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 HN Overlap>> 1.R33 1.R33 C Shift Assignments>> C :: 176.098 CA :: 62.333 CB :: 32.709 CG1 :: 20.679 CG2 :: 21.251 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 :: 8.163 HA :: 4.095 HB :: 2.048 HG11 :: 0.910 HG12 :: 0.910 HG13 :: 0.910 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 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 :: 121.920 Ave N Shift Values>> N :: 121.14(4.54) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.27 R 0.04 G 0.02 A 0.01 HN Overlap>> 1.E120 1.E120 C Shift Assignments>> C :: 177.772 CA :: 55.283 CB :: 42.506 CG :: 26.929 CD1 :: 24.963 CD2 :: 23.512 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.347 HA :: 4.358 HB2 :: 1.589 HB3 :: 1.631 HG :: 1.617 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.837 HD22 :: 0.837 HD23 :: 0.837 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.358 Ave N Shift Values>> N :: 121.86(3.9) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.861 CA :: 45.347 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.307 HA2 :: 3.949 HA3 :: 3.949 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.451 Ave N Shift Values>> N :: 109.67(3.87) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.08 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.V190 1.V190 C Shift Assignments>> C :: 176.476 CA :: 54.353 CB :: 41.312 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 :: 8.210 HA :: 4.580 HB2 :: 2.663 HB3 :: 2.684 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 :: 120.414 Ave N Shift Values>> N :: 120.65(3.86) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 E 0.08 M 0.05 R 0.03 C Shift Assignments>> C :: 175.960 CA :: 55.958 CB :: 29.290 CG :: 33.917 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 :: 4.293 HB2 :: 1.977 HB3 :: 2.138 HG2 :: 2.336 HG3 :: 2.336 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 :: 120.642 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 G 0.06 K 0.04 HN Overlap>> 1.H34 1.H34 C Shift Assignments>> C :: 175.954 CA :: 56.122 CB :: 30.645 CG :: 27.100 CD :: 43.362 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 :: 8.269 HA :: 4.289 HB2 :: 1.786 HB3 :: 1.799 HG2 :: 1.587 HG3 :: 1.587 HD2 :: 3.147 HD3 :: 3.147 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 :: 121.603 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.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 C 0.28 G 0.13 K 0.02 HN Overlap>> 1.A19 1.A19 C Shift Assignments>> C :: 173.932 CA :: 53.832 CB :: 30.318 CG :: 26.787 CD :: 43.571 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 :: 8.197 HA :: 4.360 HB2 :: 1.606 HB3 :: 1.734 HG2 :: 1.566 HG3 :: 1.566 HD2 :: 3.202 HD3 :: 3.202 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.986 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.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.584 CA :: 62.801 CB :: 32.057 CG :: 27.130 CD :: 50.464 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.410 HB2 :: 1.817 HB3 :: 2.213 HG2 :: 1.777 HG3 :: 1.777 HD2 :: 3.147 HD3 :: 3.418 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.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.023 CA :: 58.437 CB :: 63.834 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.401 HA :: 4.392 HB2 :: 3.847 HB3 :: 3.847 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.789 Ave N Shift Values>> N :: 116.28(3.52) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 C 0.17 A 0.02 R 0.02 G 0.01 HN Overlap>> 1.L99 1.L99 C Shift Assignments>> C :: 175.140 CA :: 53.029 CB :: 42.033 CG :: 27.033 CD1 :: 23.839 CD2 :: 25.235 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 :: 8.282 HA :: 4.493 HB2 :: 1.405 HB3 :: 1.569 HG :: 1.632 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.417 Ave N Shift Values>> N :: 121.86(3.9) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 176.228 CA :: 62.649 CB :: 32.117 CG :: 26.984 CD :: 50.365 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 :: 4.408 HB2 :: 1.811 HB3 :: 2.230 HG2 :: 1.568 HG3 :: 1.730 HD2 :: 3.243 HD3 :: 3.657 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.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.13 C 0.01 HN Overlap>> 1.R14 1.R14 C Shift Assignments>> C :: 178.298 CA :: 52.682 CB :: 18.962 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.278 HA :: 4.203 HB1 :: 1.266 HB2 :: 1.266 HB3 :: 1.266 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.932 Ave N Shift Values>> N :: 123.23(3.54) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.66 C 0.29 R 0.02 A 0.01 C Shift Assignments>> CA :: 55.338 CB :: 42.065 CG :: 26.945 CD1 :: 24.778 CD2 :: 23.824 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>> HA :: 4.067 HB2 :: 1.333 HB3 :: 1.424 HG :: 1.460 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 HD21 :: 0.705 HD22 :: 0.705 HD23 :: 0.705 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) 1.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.37 W 0.32 C 0.29 C Shift Assignments>> C :: 174.785 CA :: 56.218 CB :: 30.621 CD2 :: 119.368 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>> HA :: 4.431 HB2 :: 2.935 HB3 :: 2.936 HD2 :: 6.803 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) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 HN Overlap>> 1.R189 1.Y158 1.R189 1.Y158 C Shift Assignments>> C :: 175.314 CA :: 57.501 CB :: 39.274 CD1 :: 131.247 CD2 :: 131.247 CE1 :: 131.242 CE2 :: 131.242 CZ :: 129.559 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 :: 7.729 HA :: 4.445 HB2 :: 2.695 HB3 :: 2.795 HD1 :: 6.872 HD2 :: 6.872 HE1 :: 6.948 HE2 :: 6.948 HZ :: 6.835 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 :: 120.234 Ave N Shift Values>> N :: 120.45(4.18) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.792 CA :: 60.968 CB :: 38.654 CG1 :: 27.088 CG2 :: 17.324 CD1 :: 12.761 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 :: 7.827 HA :: 3.959 HB :: 1.585 HG12 :: 0.770 HG13 :: 1.153 HG21 :: 0.571 HG22 :: 0.571 HG23 :: 0.571 HD11 :: 0.522 HD12 :: 0.522 HD13 :: 0.522 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 :: 121.545 Ave N Shift Values>> N :: 121.46(4.28) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.41 R 0.11 C Shift Assignments>> C :: 177.012 CA :: 56.888 CB :: 32.833 CG :: 24.951 CD :: 29.219 CE :: 42.186 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 :: 4.205 HB2 :: 1.742 HB3 :: 1.817 HG2 :: 1.400 HG3 :: 1.462 HD2 :: 1.677 HD3 :: 1.677 HE2 :: 2.970 HE3 :: 2.970 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.136 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.772 CA :: 45.286 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.435 HA2 :: 3.934 HA3 :: 3.934 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.662 Ave N Shift Values>> N :: 109.67(3.87) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 C Shift Assignments>> C :: 178.203 CA :: 52.591 CB :: 19.436 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.120 HA :: 4.330 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.681 Ave N Shift Values>> N :: 123.23(3.54) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.926 CA :: 45.240 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.382 HA2 :: 3.931 HA3 :: 3.931 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.047 Ave N Shift Values>> N :: 109.67(3.87) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.39 R 0.11 HN Overlap>> 1.K7 1.K7 C Shift Assignments>> C :: 176.423 CA :: 56.154 CB :: 33.261 CG :: 24.756 CD :: 29.092 CE :: 42.228 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 :: 8.040 HA :: 4.374 HB2 :: 1.732 HB3 :: 1.792 HG2 :: 1.375 HG3 :: 1.375 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 2.982 HE3 :: 2.982 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.885 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 G 0.06 K 0.04 HN Overlap>> 1.Q4 1.Q4 C Shift Assignments>> C :: 176.043 CA :: 56.117 CB :: 30.790 CG :: 27.002 CD :: 43.346 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 :: 8.518 HA :: 4.363 HB2 :: 1.753 HB3 :: 1.812 HG2 :: 1.534 HG3 :: 1.584 HD2 :: 3.155 HD3 :: 3.155 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.784 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.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.15 Q 0.14 C 0.12 W 0.12 E 0.09 M 0.08 K 0.08 C Shift Assignments>> C :: 176.530 CA :: 54.270 CB :: 30.070 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 :: 8.423 HA :: 4.659 HB2 :: 2.689 HB3 :: 2.729 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 :: 121.880 Ave N Shift Values>> N :: 120.67(3.48) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.897 CA :: 58.805 CB :: 63.812 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.397 HA :: 4.454 HB2 :: 3.873 HB3 :: 3.946 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.441 Ave N Shift Values>> N :: 116.28(3.52) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.618 CA :: 59.081 CB :: 63.765 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.422 HA :: 4.398 HB2 :: 3.890 HB3 :: 3.890 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.910 Ave N Shift Values>> N :: 116.28(3.52) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.09 L 0.09 Q 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 HN Overlap>> 1.V8 1.V8 C Shift Assignments>> C :: 178.287 CA :: 56.072 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.127 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.023 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.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.16 C 0.14 R 0.13 H 0.12 W 0.08 Q 0.06 E 0.06 V 0.01 HN Overlap>> 1.R13 1.K238 1.R13 1.K238 C Shift Assignments>> C :: 176.563 CA :: 55.578 CB :: 32.195 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 :: 8.173 HA :: 4.464 HB2 :: 2.040 HB3 :: 2.040 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 :: 121.631 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.850 CA :: 45.378 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.402 HA2 :: 3.976 HA3 :: 3.976 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.058 Ave N Shift Values>> N :: 109.67(3.87) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.912 CA :: 45.315 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.322 HA2 :: 3.996 HA3 :: 3.996 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.704 Ave N Shift Values>> N :: 109.67(3.87) 1.P37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G76 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P77 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E79 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.17 C 0.09 F 0.06 Y 0.06 L 0.04 C Shift Assignments>> C :: 173.994 CA :: 53.038 CB :: 38.816 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 :: 8.584 HA :: 4.874 HB2 :: 3.019 HB3 :: 3.022 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 :: 119.994 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.24 G 0.15 R 0.02 C Shift Assignments>> C :: 176.017 CA :: 55.117 CB :: 43.883 CG :: 27.004 CD1 :: 24.584 CD2 :: 24.132 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 :: 7.981 HA :: 4.986 HB2 :: 1.614 HB3 :: 1.615 HG :: 1.609 HD11 :: 0.934 HD12 :: 0.934 HD13 :: 0.934 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 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 :: 121.448 Ave N Shift Values>> N :: 121.86(3.9) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 G 0.37 C 0.12 HN Overlap>> 1.Y186 1.Y186 C Shift Assignments>> C :: 173.903 CA :: 56.365 CB :: 44.170 CD1 :: 131.588 CD2 :: 131.627 CE1 :: 130.930 CE2 :: 130.892 CZ :: 130.603 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 :: 9.442 HA :: 5.237 HB2 :: 2.647 HB3 :: 2.792 HD1 :: 6.935 HD2 :: 6.935 HE1 :: 7.290 HE2 :: 7.290 HZ :: 7.349 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 :: 125.605 Ave N Shift Values>> N :: 120.45(4.18) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.24 C Shift Assignments>> C :: 174.615 CA :: 58.945 CB :: 35.537 CG1 :: 20.138 CG2 :: 21.307 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.434 HA :: 5.252 HB :: 1.708 HG11 :: 0.771 HG12 :: 0.771 HG13 :: 0.771 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 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 :: 117.200 Ave N Shift Values>> N :: 121.14(4.54) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.01 HN Overlap>> 1.E120 1.E120 C Shift Assignments>> C :: 178.874 CA :: 52.061 CB :: 19.523 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.379 HA :: 4.705 HB1 :: 1.554 HB2 :: 1.554 HB3 :: 1.554 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.493 Ave N Shift Values>> N :: 123.23(3.54) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.27 G 0.14 R 0.04 A 0.02 C Shift Assignments>> C :: 175.023 CA :: 55.999 CB :: 43.848 CG :: 26.709 CD1 :: 25.186 CD2 :: 22.658 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.474 HA :: 3.908 HB2 :: 0.508 HB3 :: 0.981 HG :: 1.140 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 HD21 :: 0.632 HD22 :: 0.632 HD23 :: 0.632 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.739 Ave N Shift Values>> N :: 121.86(3.9) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.27 G 0.11 C Shift Assignments>> C :: 173.416 CA :: 54.057 CB :: 42.642 CD1 :: 133.869 CD2 :: 133.861 CE1 :: 117.539 CE2 :: 117.534 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 :: 6.964 HA :: 4.751 HB2 :: 2.143 HB3 :: 3.104 HD1 :: 6.585 HD2 :: 6.585 HE1 :: 6.641 HE2 :: 6.641 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 111.748 Ave N Shift Values>> N :: 120.52(4.2) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 K 0.17 F 0.08 Y 0.06 R 0.05 C 0.05 N 0.04 C Shift Assignments>> C :: 176.246 CA :: 54.660 CB :: 41.765 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 :: 8.181 HA :: 4.861 HB2 :: 2.643 HB3 :: 2.760 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.050 Ave N Shift Values>> N :: 120.65(3.86) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.25 G 0.01 C Shift Assignments>> C :: 173.357 CA :: 57.792 CB :: 42.060 CD1 :: 132.518 CD2 :: 132.576 CE1 :: 131.649 CE2 :: 131.612 CZ :: 129.645 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 :: 8.951 HA :: 5.003 HB2 :: 3.078 HB3 :: 3.229 HD1 :: 7.416 HD2 :: 7.416 HE1 :: 7.521 HE2 :: 7.521 HZ :: 7.570 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.924 Ave N Shift Values>> N :: 120.45(4.18) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 174.119 CA :: 61.102 CB :: 32.448 CG1 :: 20.764 CG2 :: 20.756 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 :: 7.915 HA :: 4.044 HB :: 1.747 HG11 :: 0.814 HG12 :: 0.814 HG13 :: 0.814 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 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 :: 128.647 Ave N Shift Values>> N :: 121.14(4.54) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.12 C 0.02 L 0.01 C Shift Assignments>> C :: 177.285 CA :: 53.234 CB :: 19.448 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.275 HA :: 3.783 HB1 :: 1.291 HB2 :: 1.291 HB3 :: 1.291 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.338 Ave N Shift Values>> N :: 123.23(3.54) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E157 1.E157 C Shift Assignments>> C :: 174.485 CA :: 57.346 CB :: 64.260 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.939 HA :: 4.530 HB2 :: 3.803 HB3 :: 3.898 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.334 Ave N Shift Values>> N :: 116.28(3.52) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.386 CA :: 44.949 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.115 HA2 :: 3.937 HA3 :: 4.187 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.700 Ave N Shift Values>> N :: 109.67(3.87) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.18 F 0.17 Y 0.14 C 0.08 N 0.07 K 0.07 I 0.01 C Shift Assignments>> C :: 176.167 CA :: 55.697 CB :: 40.617 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 :: 8.673 HA :: 4.450 HB2 :: 2.587 HB3 :: 2.662 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.249 Ave N Shift Values>> N :: 120.65(3.86) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.13 D 0.12 Y 0.11 F 0.1 L 0.03 E 0.02 M 0.01 HN Overlap>> 1.N154 1.N154 C Shift Assignments>> C :: 175.189 CA :: 54.091 CB :: 38.313 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 :: 8.601 HA :: 4.784 HB2 :: 2.985 HB3 :: 3.228 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.232 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.29 HN Overlap>> 1.G163 1.G163 C Shift Assignments>> C :: 173.989 CA :: 61.257 CB :: 71.850 CG2 :: 22.670 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 :: 7.726 HA :: 5.141 HB :: 4.604 HG21 :: 1.253 HG22 :: 1.253 HG23 :: 1.253 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 :: 109.024 Ave N Shift Values>> N :: 115.42(4.75) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.24 C 0.22 A 0.08 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> C :: 174.183 CA :: 53.792 CB :: 46.372 CG :: 26.177 CD1 :: 25.962 CD2 :: 23.004 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 :: 8.233 HA :: 4.621 HB2 :: 0.772 HB3 :: 1.567 HG :: 1.413 HD11 :: 0.574 HD12 :: 0.574 HD13 :: 0.574 HD21 :: 0.648 HD22 :: 0.648 HD23 :: 0.648 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.351 Ave N Shift Values>> N :: 121.86(3.9) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.460 CA :: 58.776 CB :: 63.828 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.124 HA :: 5.070 HB2 :: 3.871 HB3 :: 4.024 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 :: 120.050 Ave N Shift Values>> N :: 116.28(3.52) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.34 G 0.05 HN Overlap>> 1.T123 1.T123 C Shift Assignments>> C :: 175.196 CA :: 59.635 CB :: 42.691 CG1 :: 26.332 CG2 :: 18.624 CD1 :: 13.103 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.000 HA :: 5.069 HB :: 1.347 HG12 :: 1.474 HG13 :: 1.825 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 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 :: 117.773 Ave N Shift Values>> N :: 121.46(4.28) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 173.140 CA :: 59.978 CB :: 71.709 CG2 :: 21.613 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.017 HA :: 4.916 HB :: 3.934 HG21 :: 1.272 HG22 :: 1.272 HG23 :: 1.272 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 :: 118.893 Ave N Shift Values>> N :: 115.42(4.75) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.07 C Shift Assignments>> C :: 177.279 CA :: 58.980 CB :: 32.603 CG :: 24.259 CD :: 29.444 CE :: 42.173 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 :: 8.910 HA :: 3.287 HB2 :: 1.535 HB3 :: 1.668 HG2 :: 1.123 HG3 :: 1.178 HD2 :: 1.672 HD3 :: 1.684 HE2 :: 3.015 HE3 :: 3.015 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.297 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.959 CA :: 44.947 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.969 HA2 :: 3.447 HA3 :: 4.387 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.897 Ave N Shift Values>> N :: 109.67(3.87) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.35 M 0.19 Q 0.02 I 0.01 C Shift Assignments>> C :: 175.228 CA :: 57.305 CB :: 31.601 CG :: 36.342 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 :: 8.522 HA :: 4.265 HB2 :: 2.099 HB3 :: 2.351 HG2 :: 2.339 HG3 :: 2.501 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.931 Ave N Shift Values>> N :: 120.67(3.48) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.34 R 0.21 HN Overlap>> 1.E117 1.E117 C Shift Assignments>> C :: 176.593 CA :: 55.621 CB :: 33.618 CG :: 25.919 CD :: 29.171 CE :: 42.046 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.333 HA :: 5.240 HB2 :: 1.837 HB3 :: 1.877 HG2 :: 1.464 HG3 :: 1.671 HD2 :: 1.707 HD3 :: 1.722 HE2 :: 2.986 HE3 :: 2.986 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.147 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.23 L 0.06 R 0.02 HN Overlap>> 1.L203 1.L203 C Shift Assignments>> C :: 174.344 CA :: 54.162 CB :: 45.253 CG :: 26.267 CD1 :: 27.460 CD2 :: 27.269 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.180 HA :: 4.871 HB2 :: 1.296 HB3 :: 1.575 HG :: 1.552 HD11 :: 0.601 HD12 :: 0.601 HD13 :: 0.601 HD21 :: 0.667 HD22 :: 0.667 HD23 :: 0.667 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 :: 119.501 Ave N Shift Values>> N :: 121.86(3.9) 1.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.34 K 0.13 G 0.09 C Shift Assignments>> C :: 175.608 CA :: 54.498 CB :: 32.843 CG :: 27.718 CD :: 43.411 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 :: 8.278 HA :: 5.075 HB2 :: 1.704 HB3 :: 1.741 HG2 :: 1.463 HG3 :: 1.660 HD2 :: 3.150 HD3 :: 3.150 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.279 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.V109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 176.237 CA :: 62.465 CB :: 32.978 CG1 :: 20.700 CG2 :: 22.523 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 :: 8.560 HA :: 4.152 HB :: 1.457 HG11 :: 0.218 HG12 :: 0.218 HG13 :: 0.218 HG21 :: -0.238(S) HG22 :: -0.238(S) HG23 :: -0.238(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.159 Ave N Shift Values>> N :: 121.14(4.54) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.3 A 0.05 R 0.04 G 0.01 C Shift Assignments>> C :: 177.038 CA :: 55.316 CB :: 42.166 CG :: 27.638 CD1 :: 24.722 CD2 :: 22.442 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.247 HA :: 4.207 HB2 :: 1.220 HB3 :: 1.442 HG :: 1.331 HD11 :: 0.529 HD12 :: 0.529 HD13 :: 0.529 HD21 :: 0.573 HD22 :: 0.573 HD23 :: 0.573 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 :: 128.665 Ave N Shift Values>> N :: 121.86(3.9) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.056 CA :: 44.573 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.980 HA2 :: 3.825 HA3 :: 4.277 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.869 Ave N Shift Values>> N :: 109.67(3.87) 1.Y112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 G 0.23 C 0.19 C Shift Assignments>> C :: 176.474 CA :: 57.403 CB :: 43.656 CD1 :: 133.218 CD2 :: 133.244 CE1 :: 118.023 CE2 :: 118.075 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 :: 8.635 HA :: 5.709 HB2 :: 2.920 HB3 :: 3.294 HD1 :: 7.089 HD2 :: 7.089 HE1 :: 6.684 HE2 :: 6.684 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 :: 115.922 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>> N 0.63 C 0.11 D 0.09 Y 0.05 F 0.04 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 176.709 CA :: 52.507 CB :: 38.087 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 :: 9.034 HA :: 4.910 HB2 :: 2.439 HB3 :: 3.173 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.349 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.37 C 0.33 H 0.28 C Shift Assignments>> C :: 175.799 CA :: 59.621 CB :: 30.056 CD2 :: 119.497 CE1 :: 138.608 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>> HA :: 4.316 HB2 :: 3.186 HB3 :: 3.189 HD2 :: 7.071 HE1 :: 7.809 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) 1.N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 C 0.11 D 0.07 Y 0.03 F 0.03 L 0.01 M 0.01 C Shift Assignments>> C :: 176.240 CA :: 51.312 CB :: 37.950 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 :: 6.666 HA :: 4.776 HB2 :: 2.502 HB3 :: 3.200 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.510 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.981 CA :: 45.997 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.593 HA2 :: 3.604 HA3 :: 4.142 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.248 Ave N Shift Values>> N :: 109.67(3.87) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.36 I 0.09 M 0.05 K 0.01 HN Overlap>> 1.K106 1.K106 C Shift Assignments>> C :: 176.499 CA :: 58.661 CB :: 30.604 CG :: 37.071 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 :: 8.337 HA :: 4.023 HB2 :: 1.987 HB3 :: 2.122 HG2 :: 2.045 HG3 :: 2.149 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.203 Ave N Shift Values>> N :: 120.67(3.48) 1.W118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 HN Overlap>> 1.Q127 1.Q127 C Shift Assignments>> C :: 173.044 CA :: 56.413 CB :: 32.762 CD1 :: 126.888 CE3 :: 119.931 CZ2 :: 114.691 CZ3 :: 121.033 CH2 :: 124.346 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.303 HA :: 5.018 HB2 :: 2.461 HB3 :: 3.383 HD1 :: 7.051 HE1 :: 10.094 HE3 :: 7.309 HZ2 :: 7.474 HZ3 :: 6.773 HH2 :: 7.295 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.593 NE1 :: 129.994 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 L 0.11 C 0.09 G 0.01 C Shift Assignments>> C :: 174.862 CA :: 49.759 CB :: 21.897 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.751 HA :: 4.912 HB1 :: 0.840 HB2 :: 0.840 HB3 :: 0.840 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.712 Ave N Shift Values>> N :: 123.23(3.54) 1.E120 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.42 E 0.29 Q 0.1 K 0.09 I 0.04 R 0.02 HN Overlap>> 1.A87 1.A87 1.L9 1.L9 C Shift Assignments>> C :: 173.852 CA :: 55.148 CB :: 27.548 CG :: 36.104 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 :: 8.357 HA :: 3.420 HB2 :: -0.388(A) HB3 :: 1.134(S) HG2 :: 0.672(S) HG3 :: 1.300(S) 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 :: 126.437 Ave N Shift Values>> N :: 120.67(3.48) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.37 L 0.31 C 0.18 K 0.06 A 0.04 C Shift Assignments>> C :: 175.256 CA :: 49.971 CB :: 24.373 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.959 HA :: 5.231 HB1 :: 1.072 HB2 :: 1.072 HB3 :: 1.072 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.678 Ave N Shift Values>> N :: 123.23(3.54) 1.Q122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.35 Q 0.1 E 0.07 C Shift Assignments>> C :: 176.045 CA :: 54.921 CB :: 32.775 CG :: 34.499 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 :: 8.781 HA :: 5.165 HB2 :: 1.747 HB3 :: 1.963 HG2 :: 2.193 HG3 :: 2.295 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 :: 117.335 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 C 0.46 HN Overlap>> 1.I101 1.I101 C Shift Assignments>> C :: 175.482 CA :: 59.365 CB :: 72.382 CG2 :: 22.134 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.074 HA :: 4.935 HB :: 4.922 HG21 :: 1.213 HG22 :: 1.213 HG23 :: 1.213 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.762 Ave N Shift Values>> N :: 115.42(4.75) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.12 C Shift Assignments>> C :: 177.030 CA :: 58.591 CB :: 31.973 CG :: 24.322 CD :: 29.215 CE :: 42.201 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 :: 8.880 HA :: 4.229 HB2 :: 1.885 HB3 :: 1.925 HG2 :: 1.456 HG3 :: 1.533 HD2 :: 1.738 HD3 :: 1.744 HE2 :: 3.001 HE3 :: 3.000 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 :: 118.312 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.28 L 0.14 F 0.08 Y 0.06 C 0.06 K 0.01 HN Overlap>> 1.I164 1.T197 1.I164 1.T197 C Shift Assignments>> C :: 174.719 CA :: 53.379 CB :: 40.252 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 :: 8.242 HA :: 4.875 HB2 :: 2.617 HB3 :: 2.914 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.803 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 169.818 CA :: 45.385 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.484 HA2 :: 3.907 HA3 :: 4.317 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.163 Ave N Shift Values>> N :: 109.67(3.87) 1.Q127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 C 0.28 Q 0.15 E 0.01 HN Overlap>> 1.W118 1.W118 C Shift Assignments>> C :: 174.868 CA :: 53.776 CB :: 32.114 CG :: 33.260 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 :: 8.222 HA :: 5.601 HB2 :: 1.808 HB3 :: 2.058 HG2 :: 2.117 HG3 :: 2.127 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 :: 119.588 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 170.569 CA :: 45.344 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.710 HA2 :: 3.980 HA3 :: 4.099 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.954 Ave N Shift Values>> N :: 109.67(3.87) 1.W129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> C :: 176.558 CA :: 57.325 CB :: 30.701 CD1 :: 128.201 CE3 :: 120.204 CZ2 :: 114.979 CZ3 :: 122.327 CH2 :: 123.635 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.743 HA :: 5.452 HB2 :: 2.847 HB3 :: 3.245 HD1 :: 7.410 HE1 :: 10.072 HE3 :: 7.373 HZ2 :: 7.354 HZ3 :: 6.911 HH2 :: 6.885 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.083 NE1 :: 129.503 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.12 A 0.07 C Shift Assignments>> C :: 172.152 CA :: 57.524 CB :: 33.722 CG1 :: 19.042 CG2 :: 22.130 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.769 HA :: 4.866 HB :: 1.749 HG11 :: 0.602 HG12 :: 0.602 HG13 :: 0.602 HG21 :: 1.019 HG22 :: 1.019 HG23 :: 1.019 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.795 Ave N Shift Values>> N :: 121.14(4.54) 1.P131 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 179.290 CA :: 62.394 CB :: 30.909 CG :: 27.565 CD :: 49.486 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.484 HB2 :: 1.195 HB3 :: 1.389 HG2 :: 0.371(S) HG3 :: 0.517(S) HD2 :: 2.028(S) HD3 :: 2.087(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.117 CA :: 61.142 CB :: 63.328 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.445 HA :: 3.874 HB2 :: 3.781 HB3 :: 3.900 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.206 Ave N Shift Values>> N :: 116.28(3.52) 1.N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.21 E 0.12 M 0.1 Y 0.05 F 0.03 K 0.02 D 0.01 Q 0.01 C Shift Assignments>> C :: 175.462 CA :: 53.317 CB :: 36.578 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 :: 8.375 HA :: 4.853 HB2 :: 2.794 HB3 :: 3.064 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 :: 114.151 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 174.678 CA :: 57.997 CB :: 37.997 CD1 :: 131.712 CD2 :: 131.719 CE1 :: 118.442 CE2 :: 118.464 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 :: 7.994 HA :: 4.803 HB2 :: 3.233 HB3 :: 3.391 HD1 :: 7.007 HD2 :: 7.007 HE1 :: 6.976 HE2 :: 6.976 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 :: 119.165 Ave N Shift Values>> N :: 120.52(4.2) 1.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.28 G 0.03 A 0.01 C Shift Assignments>> C :: 173.498 CA :: 59.361 CB :: 42.289 CG1 :: 24.561 CG2 :: 18.126 CD1 :: 13.537 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 :: 7.412 HA :: 5.473 HB :: 1.736 HG12 :: 1.283 HG13 :: 1.421 HG21 :: 0.666 HG22 :: 0.666 HG23 :: 0.666 HD11 :: 0.100 HD12 :: 0.100 HD13 :: 0.100 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 :: 111.814 Ave N Shift Values>> N :: 121.46(4.28) 1.T136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 T 0.38 A 0.05 C Shift Assignments>> C :: 170.843 CA :: 58.902 CB :: 72.699 CG2 :: 20.047 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 :: 8.679 HA :: 5.234 HB :: 3.945 HG21 :: 1.069 HG22 :: 1.069 HG23 :: 1.069 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.089 Ave N Shift Values>> N :: 115.42(4.75) 1.P137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.31 C Shift Assignments>> C :: 177.261 CA :: 63.430 CB :: 31.979 CG :: 27.415 CD :: 51.855 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.653 HB2 :: 1.558 HB3 :: 1.716 HG2 :: 1.623 HG3 :: 1.912 HD2 :: 3.815 HD3 :: 3.841 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.V138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 175.933 CA :: 63.480 CB :: 32.148 CG1 :: 21.639 CG2 :: 21.199 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 :: 8.038 HA :: 3.857 HB :: 1.863 HG11 :: 0.800 HG12 :: 0.800 HG13 :: 0.800 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 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 :: 120.602 Ave N Shift Values>> N :: 121.14(4.54) 1.N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.18 C 0.09 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> CA :: 53.410 CB :: 38.828 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 :: 8.438 HA :: 4.685 HB2 :: 2.782 HB3 :: 2.822 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 :: 121.019 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.447 CA :: 59.151 CB :: 63.787 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.044 HA :: 4.280 HB2 :: 3.838 HB3 :: 3.875 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.043 Ave N Shift Values>> N :: 116.28(3.52) 1.L141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.36 R 0.02 C Shift Assignments>> C :: 177.302 CA :: 56.469 CB :: 41.475 CG :: 27.355 CD1 :: 25.201 CD2 :: 23.466 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 :: 8.223 HA :: 4.036 HB2 :: 0.781 HB3 :: 1.116 HG :: 1.621 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 HD21 :: 0.773 HD22 :: 0.773 HD23 :: 0.773 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.138 Ave N Shift Values>> N :: 121.86(3.9) 1.E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 I 0.1 K 0.09 Q 0.05 M 0.02 C Shift Assignments>> C :: 176.286 CA :: 58.251 CB :: 29.354 CG :: 36.268 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 :: 7.993 HA :: 4.060 HB2 :: 1.923 HB3 :: 1.988 HG2 :: 2.171 HG3 :: 2.234 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 :: 116.420 Ave N Shift Values>> N :: 120.67(3.48) 1.K143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.4 R 0.13 C Shift Assignments>> C :: 176.762 CA :: 56.759 CB :: 32.005 CG :: 24.087 CD :: 29.018 CE :: 41.895 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 :: 7.419 HA :: 3.996 HB2 :: 1.539 HB3 :: 1.539 HG2 :: 0.922 HG3 :: 1.135 HD2 :: 1.492 HD3 :: 1.492 HE2 :: 2.828 HE3 :: 2.828 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 :: 117.182 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.28 HN Overlap>> 1.K202 1.K202 C Shift Assignments>> C :: 177.558 CA :: 56.122 CB :: 30.577 CD2 :: 119.875 CE1 :: 137.579 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 :: 7.532 HA :: 4.651 HB2 :: 3.128 HB3 :: 3.170 HD2 :: 7.066 HE1 :: 8.147 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 :: 119.129 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.160 CA :: 61.322 CB :: 62.777 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.206 HB2 :: 3.991 HB3 :: 3.982 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) 1.W146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 W 0.44 C Shift Assignments>> C :: 175.662 CA :: 54.030 CB :: 31.532 CD1 :: 130.006 CE3 :: 121.434 CZ2 :: 114.401 CZ3 :: 120.283 CH2 :: 123.744 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.419 HA :: 4.558 HB2 :: 2.657 HB3 :: 3.573 HD1 :: 7.498 HE1 :: 10.688 HE3 :: 7.375 HZ2 :: 6.708 HZ3 :: 6.864 HH2 :: 6.459 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 111.172 NE1 :: 133.101 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 174.813 CA :: 58.814 CB :: 37.838 CD1 :: 133.557 CD2 :: 133.623 CE1 :: 118.010 CE2 :: 118.045 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 :: 7.615 HA :: 5.155 HB2 :: 2.474 HB3 :: 3.113 HD1 :: 6.957 HD2 :: 6.957 HE1 :: 6.720 HE2 :: 6.720 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 :: 123.289 Ave N Shift Values>> N :: 120.52(4.2) 1.H148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 W 0.22 H 0.17 C Shift Assignments>> C :: 175.127 CA :: 56.875 CB :: 33.837 CD2 :: 115.327 CE1 :: 137.773 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 :: 8.912 HA :: 4.501 HB2 :: 2.660 HB3 :: 3.285 HD2 :: 6.779 HE1 :: 7.438 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 :: 127.047 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G149 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 172.320 CA :: 45.298 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.730(S) HA2 :: 3.463 HA3 :: 4.277 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.060 Ave N Shift Values>> N :: 109.67(3.87) 1.P150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 175.855 CA :: 63.126 CB :: 29.988 CG :: 27.541 CD :: 50.218 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 :: 4.842 HB2 :: 1.942 HB3 :: 2.160 HG2 :: 2.040 HG3 :: 2.139 HD2 :: 3.650 HD3 :: 3.827 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.V151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 175.001 CA :: 61.418 CB :: 35.321 CG1 :: 21.907 CG2 :: 21.936 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 :: 7.982 HA :: 4.318 HB :: 1.840 HG11 :: 1.024 HG12 :: 1.024 HG13 :: 1.024 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 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 :: 126.156 Ave N Shift Values>> N :: 121.14(4.54) 1.S152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.295 CA :: 57.998 CB :: 65.226 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.586 HA :: 4.415 HB2 :: 4.073 HB3 :: 4.354 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.327 Ave N Shift Values>> N :: 116.28(3.52) 1.R153 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 R 0.35 G 0.12 K 0.01 C Shift Assignments>> C :: 178.172 CA :: 60.780 CB :: 30.284 CG :: 27.387 CD :: 43.567 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 :: 8.961 HA :: 3.473 HB2 :: 1.559 HB3 :: 1.822 HG2 :: 0.537(S) HG3 :: 1.007 HD2 :: 2.821 HD3 :: 2.907 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.497 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.N154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.21 C 0.18 N 0.1 D 0.07 I 0.05 E 0.05 L 0.03 M 0.01 HN Overlap>> 1.N97 1.N97 C Shift Assignments>> C :: 178.118 CA :: 56.467 CB :: 38.392 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 :: 8.498 HA :: 4.321 HB2 :: 2.678 HB3 :: 2.684 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.193 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.41 I 0.03 C 0.02 C Shift Assignments>> C :: 180.365 CA :: 55.172 CB :: 18.276 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.139 HA :: 4.206 HB1 :: 1.507 HB2 :: 1.507 HB3 :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.418 Ave N Shift Values>> N :: 123.23(3.54) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.43 I 0.03 C 0.03 C Shift Assignments>> C :: 179.062 CA :: 55.176 CB :: 18.443 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.635 HA :: 3.911 HB1 :: 1.470 HB2 :: 1.470 HB3 :: 1.470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.532 Ave N Shift Values>> N :: 123.23(3.54) 1.E157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.35 E 0.11 K 0.01 HN Overlap>> 1.S94 1.S94 C Shift Assignments>> C :: 178.994 CA :: 60.474 CB :: 27.962 CG :: 37.341 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 :: 7.949 HA :: 3.803 HB2 :: 2.040 HB3 :: 2.252 HG2 :: 2.091 HG3 :: 2.912 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 :: 115.355 Ave N Shift Values>> N :: 120.67(3.48) 1.Y158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.R189 1.R189 1.F22 1.F22 C Shift Assignments>> C :: 180.087 CA :: 61.544 CB :: 37.698 CD1 :: 133.122 CD2 :: 133.089 CE1 :: 118.282 CE2 :: 118.327 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 :: 7.817 HA :: 4.305 HB2 :: 3.183 HB3 :: 3.193 HD1 :: 7.136 HD2 :: 7.136 HE1 :: 6.803 HE2 :: 6.803 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 :: 120.253 Ave N Shift Values>> N :: 120.52(4.2) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.4 R 0.09 G 0.01 C Shift Assignments>> C :: 178.953 CA :: 58.053 CB :: 42.228 CG :: 27.344 CD1 :: 25.663 CD2 :: 23.457 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 :: 8.520 HA :: 3.907 HB2 :: 1.348 HB3 :: 1.873 HG :: 1.860 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 HD21 :: 0.982 HD22 :: 0.982 HD23 :: 0.982 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.006 Ave N Shift Values>> N :: 121.86(3.9) 1.L160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.3 K 0.11 A 0.04 G 0.01 C Shift Assignments>> C :: 177.444 CA :: 54.713 CB :: 42.211 CD1 :: 27.013 CD2 :: 23.147 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 :: 7.569 HA :: 4.343 HB2 :: 1.465 HB3 :: 1.676 HG :: 1.563 HD11 :: 0.586 HD12 :: 0.586 HD13 :: 0.586 HD21 :: 0.639 HD22 :: 0.639 HD23 :: 0.639 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.060 Ave N Shift Values>> N :: 121.86(3.9) 1.S161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.103 CA :: 61.451 CB :: 63.361 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.548 HA :: 4.029 HB2 :: 4.009 HB3 :: 4.073 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.616 Ave N Shift Values>> N :: 116.28(3.52) 1.S162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.983 CA :: 57.285 CB :: 64.219 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.471 HA :: 4.579 HB2 :: 3.778 HB3 :: 3.909 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.145 Ave N Shift Values>> N :: 116.28(3.52) 1.G163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.28 R 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 HN Overlap>> 1.T98 1.T98 C Shift Assignments>> C :: 172.961 CA :: 44.060 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.805 HA2 :: 3.813 HA3 :: 4.172 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.950 Ave N Shift Values>> N :: 109.67(3.87) 1.I164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 HN Overlap>> 1.N125 1.N125 C Shift Assignments>> C :: 176.201 CA :: 60.281 CB :: 41.053 CG1 :: 25.116 CG2 :: 17.883 CD1 :: 13.534 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 :: 8.204 HA :: 4.495 HB :: 1.981 HG12 :: 0.894 HG13 :: 1.298 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 HD11 :: 0.544 HD12 :: 0.544 HD13 :: 0.544 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 :: 113.879 Ave N Shift Values>> N :: 121.46(4.28) 1.N165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 C 0.17 Y 0.13 F 0.1 E 0.07 D 0.07 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 177.284 CA :: 54.659 CB :: 37.762 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 :: 8.664 HA :: 4.780 HB2 :: 3.107 HB3 :: 3.107 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 :: 120.705 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 176.678 CA :: 46.075 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.306 HA2 :: 3.892 HA3 :: 4.766 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.162 Ave N Shift Values>> N :: 109.67(3.87) 1.S167 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.137 CA :: 60.538 CB :: 63.871 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.762 HA :: 6.046(S) HB2 :: 4.021 HB3 :: 4.023 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.288 Ave N Shift Values>> N :: 116.28(3.52) 1.F168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 F 0.32 C 0.08 C Shift Assignments>> C :: 171.603 CA :: 55.983 CB :: 44.831 CD1 :: 131.564 CD2 :: 131.549 CE1 :: 131.389 CE2 :: 131.429 CZ :: 129.697 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 :: 8.734 HA :: 5.996 HB2 :: 3.023 HB3 :: 3.018 HD1 :: 6.694 HD2 :: 6.694 HE1 :: 6.755 HE2 :: 6.755 HZ :: 6.803 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 :: 120.417 Ave N Shift Values>> N :: 120.45(4.18) 1.L169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 G 0.26 L 0.23 R 0.17 C Shift Assignments>> C :: 174.295 CA :: 54.615 CB :: 44.012 CG :: 25.810 CD1 :: 27.679 CD2 :: 25.730 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.059 HA :: 4.569 HB2 :: 1.062 HB3 :: 1.368 HG :: 1.574 HD11 :: 0.423 HD12 :: 0.423 HD13 :: 0.423 HD21 :: 0.553 HD22 :: 0.553 HD23 :: 0.553 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 :: 114.367 Ave N Shift Values>> N :: 121.86(3.9) 1.V170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 173.311 CA :: 61.383 CB :: 33.636 CG1 :: 21.868 CG2 :: 22.292 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.215 HA :: 5.225 HB :: 2.568 HG11 :: 1.243 HG12 :: 1.243 HG13 :: 1.243 HG21 :: 1.117 HG22 :: 1.117 HG23 :: 1.117 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 :: 120.720 Ave N Shift Values>> N :: 121.14(4.54) 1.R171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 G 0.3 R 0.15 K 0.09 C Shift Assignments>> C :: 174.339 CA :: 52.413 CB :: 34.597 CG :: 26.327 CD :: 43.341 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 :: 9.215 HA :: 5.284 HB2 :: 1.286 HB3 :: 2.181 HG2 :: 1.245 HG3 :: 1.280 HD2 :: 2.433 HD3 :: 3.355 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.888 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.E172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.28 M 0.2 Q 0.1 K 0.05 C Shift Assignments>> C :: 175.766 CA :: 55.037 CB :: 30.737 CG :: 35.727 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 :: 8.004 HA :: 4.726 HB2 :: 1.663 HB3 :: 2.054 HG2 :: 2.238 HG3 :: 2.319 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.394 Ave N Shift Values>> N :: 120.67(3.48) 1.S173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.870 CA :: 58.444 CB :: 63.738 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.323 HA :: 4.322 HB2 :: 3.839 HB3 :: 3.877 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.252 Ave N Shift Values>> N :: 116.28(3.52) 1.E174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.39 M 0.07 I 0.06 K 0.01 Q 0.01 C Shift Assignments>> C :: 177.481 CA :: 58.106 CB :: 30.693 CG :: 36.885 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.293 HA :: 4.172 HB2 :: 2.018 HB3 :: 2.029 HG2 :: 2.245 HG3 :: 2.245 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.343 Ave N Shift Values>> N :: 120.67(3.48) 1.S175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T197 1.T197 C Shift Assignments>> C :: 175.156 CA :: 59.755 CB :: 63.985 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.355 HA :: 4.393 HB2 :: 3.854 HB3 :: 3.854 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.896 Ave N Shift Values>> N :: 116.28(3.52) 1.S176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.474 CA :: 54.820 CB :: 63.626 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.725 HB2 :: 3.575 HB3 :: 3.771 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.236 Ave N Shift Values>> N :: 116.28(3.52) 1.P177 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 :: 177.963 CA :: 64.062 CB :: 31.798 CG :: 27.500 CD :: 50.434 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 :: 4.353 HB2 :: 1.851 HB3 :: 2.294 HG2 :: 2.035 HG3 :: 2.035 HD2 :: 3.526 HD3 :: 3.627 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.G178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.184 CA :: 45.223 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.178 HA2 :: 3.665 HA3 :: 4.297 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.555 Ave N Shift Values>> N :: 109.67(3.87) 1.Q179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.23 C 0.22 E 0.1 M 0.08 R 0.01 C Shift Assignments>> C :: 175.118 CA :: 54.849 CB :: 29.562 CG :: 34.255 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 :: 8.127 HA :: 4.682 HB2 :: 2.126 HB3 :: 2.251 HG2 :: 2.297 HG3 :: 2.358 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 :: 120.166 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.2 G 0.14 R 0.06 C Shift Assignments>> C :: 175.392 CA :: 55.483 CB :: 34.403 CG :: 29.547 CD :: 43.513 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 :: 9.131 HA :: 5.382 HB2 :: 1.745 HB3 :: 1.863 HG2 :: 1.715 HG3 :: 1.739 HD2 :: 3.247 HD3 :: 3.247 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 :: 124.084 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.S181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.59 S 0.4 C Shift Assignments>> C :: 172.711 CA :: 57.839 CB :: 67.316 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.100 HA :: 5.517 HB2 :: 3.290 HB3 :: 3.735 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.731 Ave N Shift Values>> N :: 116.28(3.52) 1.I182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.48 C Shift Assignments>> C :: 175.817 CA :: 60.578 CB :: 41.679 CG1 :: 28.815 CG2 :: 17.963 CD1 :: 13.667 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.476 HA :: 4.945 HB :: 1.728 HG12 :: 0.909 HG13 :: 1.769 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 HD11 :: 0.492 HD12 :: 0.492 HD13 :: 0.492 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.476 Ave N Shift Values>> N :: 121.46(4.28) 1.S183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 172.202 CA :: 58.669 CB :: 65.489 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.072 HA :: 5.646 HB2 :: 3.324 HB3 :: 3.511 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.892 Ave N Shift Values>> N :: 116.28(3.52) 1.L184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 G 0.07 A 0.03 C Shift Assignments>> C :: 173.753 CA :: 53.829 CB :: 48.338 CD1 :: 24.462 CD2 :: 28.044 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.333 HA :: 5.422 HB2 :: 1.377 HB3 :: 1.891 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.754 HD22 :: 0.754 HD23 :: 0.754 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.419 Ave N Shift Values>> N :: 121.86(3.9) 1.R185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 K 0.15 G 0.07 C Shift Assignments>> C :: 174.803 CA :: 54.843 CB :: 33.172 CG :: 27.528 CD :: 43.252 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 :: 9.185 HA :: 5.304 HB2 :: 1.508 HB3 :: 2.218 HG2 :: 1.468 HG3 :: 1.468 HD2 :: 2.723 HD3 :: 3.130 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.874 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.Y186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 HN Overlap>> 1.F85 1.F85 C Shift Assignments>> C :: 174.260 CA :: 59.560 CB :: 41.489 CD1 :: 132.494 CD2 :: 132.532 CE1 :: 118.797 CE2 :: 118.776 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 :: 9.459 HA :: 4.695 HB2 :: 2.776 HB3 :: 2.829 HD1 :: 6.936 HD2 :: 6.936 HE1 :: 6.837 HE2 :: 6.837 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 :: 125.573 Ave N Shift Values>> N :: 120.52(4.2) 1.E187 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 E 0.25 Q 0.16 K 0.13 I 0.04 R 0.03 C Shift Assignments>> C :: 176.498 CA :: 56.253 CB :: 27.729 CG :: 35.576 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.332 HA :: 3.645 HB2 :: 1.474 HB3 :: 2.030 HG2 :: 0.994(S) HG3 :: 1.673 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.405 Ave N Shift Values>> N :: 120.67(3.48) 1.G188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.138 CA :: 45.551 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.376 HA2 :: 3.474 HA3 :: 4.110 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.656 Ave N Shift Values>> N :: 109.67(3.87) 1.R189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.34 G 0.13 K 0.1 HN Overlap>> 1.Y158 1.F22 1.Y158 1.F22 C Shift Assignments>> C :: 173.573 CA :: 54.165 CB :: 33.859 CG :: 27.324 CD :: 43.371 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 :: 7.798 HA :: 4.627 HB2 :: 1.659 HB3 :: 1.729 HG2 :: 1.369 HG3 :: 1.565 HD2 :: 3.130 HD3 :: 3.130 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.301 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.V190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 HN Overlap>> 1.D11 1.D11 C Shift Assignments>> C :: 174.089 CA :: 61.371 CB :: 32.614 CG1 :: 22.985 CG2 :: 22.476 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 :: 8.225 HA :: 4.720 HB :: 1.692 HG11 :: 0.781 HG12 :: 0.781 HG13 :: 0.781 HG21 :: 0.348 HG22 :: 0.348 HG23 :: 0.348 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 :: 120.499 Ave N Shift Values>> N :: 121.14(4.54) 1.Y191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.25 C Shift Assignments>> C :: 173.842 CA :: 56.983 CB :: 41.740 CD1 :: 133.560 CD2 :: 133.436 CE1 :: 117.936 CE2 :: 117.831 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 :: 9.383 HA :: 4.236 HB2 :: 2.717 HB3 :: 2.717 HD1 :: 7.123 HD2 :: 7.123 HE1 :: 7.018 HE2 :: 7.018 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 :: 128.796 Ave N Shift Values>> N :: 120.52(4.2) 1.H192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 C 0.36 W 0.25 C Shift Assignments>> C :: 175.538 CA :: 54.450 CB :: 33.385 CD2 :: 120.266 CE1 :: 137.882 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 :: 8.309 HA :: 5.653 HB2 :: 2.726 HB3 :: 2.780 HD2 :: 6.976 HE1 :: 7.335 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 :: 119.880 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 175.128 CA :: 56.651 CB :: 41.444 CD1 :: 133.610 CD2 :: 133.631 CE1 :: 118.926 CE2 :: 118.989 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 :: 9.689 HA :: 4.748 HB2 :: 2.578 HB3 :: 2.834 HD1 :: 6.967 HD2 :: 6.967 HE1 :: 6.733 HE2 :: 6.733 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 :: 121.823 Ave N Shift Values>> N :: 120.52(4.2) 1.R194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 K 0.1 G 0.01 C Shift Assignments>> C :: 175.654 CA :: 56.318 CB :: 30.316 CG :: 27.054 CD :: 42.590 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 :: 8.733 HA :: 4.510 HB2 :: 1.719 HB3 :: 1.806 HG2 :: 1.590 HG3 :: 1.590 HD2 :: 3.225 HD3 :: 3.271 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 :: 125.112 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.I195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.626 CA :: 61.555 CB :: 37.359 CG1 :: 27.750 CG2 :: 18.778 CD1 :: 14.194 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 :: 8.439 HA :: 3.914 HB :: 1.698 HG12 :: 0.667 HG13 :: 1.605 HG21 :: 0.791 HG22 :: 0.791 HG23 :: 0.791 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 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 :: 123.499 Ave N Shift Values>> N :: 121.46(4.28) 1.N196 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.34 N 0.31 L 0.13 F 0.06 C 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 173.099 CA :: 52.881 CB :: 40.349 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 :: 8.682 HA :: 4.636 HB2 :: 1.038(S) HB3 :: 2.016 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 :: 128.018 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.S175 1.N125 1.S175 1.N125 C Shift Assignments>> C :: 175.149 CA :: 61.239 CB :: 70.054 CG2 :: 21.214 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 :: 8.302 HA :: 5.044 HB :: 3.958 HG21 :: 1.276 HG22 :: 1.276 HG23 :: 1.276 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 :: 113.803 Ave N Shift Values>> N :: 115.42(4.75) 1.A198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 L 0.11 C 0.06 C Shift Assignments>> C :: 179.645 CA :: 51.177 CB :: 21.442 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.658 HA :: 4.793 HB1 :: 1.703 HB2 :: 1.703 HB3 :: 1.703 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.352 Ave N Shift Values>> N :: 123.23(3.54) 1.S199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.709 CA :: 62.100 CB :: 63.039 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.181 HB2 :: 4.011 HB3 :: 4.085 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) 1.D200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.32 L 0.13 F 0.06 C 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 177.178 CA :: 52.880 CB :: 40.269 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 :: 7.819 HA :: 4.609 HB2 :: 2.555 HB3 :: 3.089 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.917 Ave N Shift Values>> N :: 120.65(3.86) 1.G201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.533 CA :: 45.177 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.148 HA2 :: 3.562 HA3 :: 4.325 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.043 Ave N Shift Values>> N :: 109.67(3.87) 1.K202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.3 K 0.27 HN Overlap>> 1.H144 1.H144 C Shift Assignments>> C :: 174.824 CA :: 57.893 CB :: 34.071 CG :: 26.582 CD :: 29.593 CE :: 42.191 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 :: 7.533 HA :: 4.384 HB2 :: 1.585 HB3 :: 1.777 HG2 :: 1.118 HG3 :: 1.453 HD2 :: 1.241 HD3 :: 1.449 HE2 :: 2.867 HE3 :: 2.867 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 :: 119.132 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.19 C 0.17 A 0.01 HN Overlap>> 1.L107 1.L107 C Shift Assignments>> C :: 178.147 CA :: 53.605 CB :: 45.872 CD1 :: 24.215 CD2 :: 25.809 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.182 HA :: 5.571 HB2 :: 1.341 HB3 :: 1.586 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 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 :: 119.524 Ave N Shift Values>> N :: 121.86(3.9) 1.Y204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 173.375 CA :: 58.075 CB :: 40.939 CD1 :: 133.766 CD2 :: 133.750 CE1 :: 117.492 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 :: 8.715 HA :: 5.136 HB2 :: 3.107 HB3 :: 3.150 HD1 :: 6.532 HD2 :: 6.532 HE1 :: 6.537 HE2 :: 6.537 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 :: 114.482 Ave N Shift Values>> N :: 120.52(4.2) 1.V205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 176.458 CA :: 64.326 CB :: 32.784 CG1 :: 21.154 CG2 :: 21.478 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 :: 10.164 HA :: 4.310 HB :: 1.943 HG11 :: 0.760 HG12 :: 0.760 HG13 :: 0.760 HG21 :: 0.605 HG22 :: 0.605 HG23 :: 0.605 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 :: 121.266 Ave N Shift Values>> N :: 121.14(4.54) 1.S206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.415 CA :: 56.902 CB :: 64.634 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.182 HA :: 4.871 HB2 :: 4.063 HB3 :: 4.063 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.428 Ave N Shift Values>> N :: 116.28(3.52) 1.S207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.799 CA :: 60.942 CB :: 63.635 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.804 HA :: 3.502 HB2 :: 3.838 HB3 :: 3.838 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 :: 119.901 Ave N Shift Values>> N :: 116.28(3.52) 1.E208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 I 0.07 K 0.07 M 0.04 Q 0.03 C Shift Assignments>> C :: 176.662 CA :: 57.208 CB :: 29.682 CG :: 36.622 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 :: 8.422 HA :: 4.136 HB2 :: 1.874 HB3 :: 2.109 HG2 :: 2.224 HG3 :: 2.224 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 :: 116.566 Ave N Shift Values>> N :: 120.67(3.48) 1.S209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.727 CA :: 56.698 CB :: 63.824 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.801 HA :: 4.328 HB2 :: 3.373 HB3 :: 3.781 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.412 Ave N Shift Values>> N :: 116.28(3.52) 1.R210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 G 0.32 R 0.29 K 0.02 C Shift Assignments>> C :: 175.899 CA :: 53.302 CB :: 32.946 CG :: 26.382 CD :: 43.967 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 :: 7.613 HA :: 5.081 HB2 :: 1.337 HB3 :: 1.431 HG2 :: 0.999 HG3 :: 1.319 HD2 :: 2.647 HD3 :: 2.811 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 :: 119.929 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.F211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 F 0.34 C 0.09 C Shift Assignments>> C :: 175.300 CA :: 57.883 CB :: 44.824 CD1 :: 132.127 CD2 :: 132.151 CE1 :: 131.096 CE2 :: 131.026 CZ :: 129.110 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 :: 9.155 HA :: 4.852 HB2 :: 2.551 HB3 :: 3.425 HD1 :: 7.226 HD2 :: 7.226 HE1 :: 6.976 HE2 :: 6.976 HZ :: 6.043 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.863 Ave N Shift Values>> N :: 120.45(4.18) 1.N212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.21 D 0.17 C 0.12 N 0.12 L 0.1 I 0.03 C Shift Assignments>> C :: 176.166 CA :: 55.962 CB :: 39.511 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 :: 9.578 HA :: 4.681 HB2 :: 2.885 HB3 :: 3.205 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.430 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 T 0.27 A 0.01 C Shift Assignments>> C :: 174.567 CA :: 59.008 CB :: 73.520 CG2 :: 21.580 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 :: 7.410 HA :: 4.929 HB :: 4.713 HG21 :: 1.242 HG22 :: 1.242 HG23 :: 1.242 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 :: 104.635 Ave N Shift Values>> N :: 115.42(4.75) 1.L214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.39 R 0.06 C Shift Assignments>> C :: 178.243 CA :: 57.444 CB :: 42.068 CG :: 26.325 CD1 :: 25.005 CD2 :: 26.220 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.115 HA :: 3.998 HB2 :: 1.763 HB3 :: 1.795 HG :: 1.823 HD11 :: 1.011 HD12 :: 1.011 HD13 :: 1.011 HD21 :: 1.069 HD22 :: 1.069 HD23 :: 1.069 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.508 Ave N Shift Values>> N :: 121.86(3.9) 1.A215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.26 I 0.06 C 0.02 C Shift Assignments>> C :: 180.404 CA :: 55.666 CB :: 17.825 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.920 HA :: 3.962 HB1 :: 1.497 HB2 :: 1.497 HB3 :: 1.497 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.776 Ave N Shift Values>> N :: 123.23(3.54) 1.E216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 E 0.22 I 0.09 M 0.05 C Shift Assignments>> C :: 178.291 CA :: 59.234 CB :: 31.295 CG :: 37.797 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 :: 7.621 HA :: 3.899 HB2 :: 2.275 HB3 :: 2.293 HG2 :: 2.338 HG3 :: 2.338 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 :: 117.277 Ave N Shift Values>> N :: 120.67(3.48) 1.L217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.27 L 0.13 K 0.04 G 0.01 C Shift Assignments>> C :: 178.120 CA :: 58.920 CB :: 42.324 CG :: 27.511 CD1 :: 27.899 CD2 :: 25.283 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 :: 7.281 HA :: 2.963 HB2 :: 1.515 HB3 :: 2.074 HG :: 1.781 HD11 :: 1.159 HD12 :: 1.159 HD13 :: 1.159 HD21 :: 0.689 HD22 :: 0.689 HD23 :: 0.689 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.384 Ave N Shift Values>> N :: 121.86(3.9) 1.V218 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.Q3 1.Q3 C Shift Assignments>> C :: 177.698 CA :: 66.528 CB :: 31.233 CG1 :: 21.722 CG2 :: 19.833 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 :: 8.194 HA :: 2.883 HB :: 1.210 HG11 :: -0.242(S) HG12 :: -0.242(S) HG13 :: -0.242(S) HG21 :: -0.151(S) HG22 :: -0.151(S) HG23 :: -0.151(S) 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 :: 119.744 Ave N Shift Values>> N :: 121.14(4.54) 1.H219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.11 I 0.1 R 0.08 H 0.08 K 0.08 Q 0.07 V 0.04 M 0.02 C Shift Assignments>> C :: 179.099 CA :: 59.926 CB :: 29.712 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 :: 7.996 HA :: 4.107 HB2 :: 3.087 HB3 :: 3.167 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 :: 118.107 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H220 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 W 0.38 H 0.16 C Shift Assignments>> C :: 177.593 CA :: 60.265 CB :: 30.473 CD2 :: 118.578 CE1 :: 140.631 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 :: 7.971 HA :: 4.027 HB2 :: 2.662 HB3 :: 2.704 HD2 :: 5.343(S) HE1 :: 8.323 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 :: 119.865 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 C 0.15 Q 0.12 W 0.11 K 0.09 H 0.08 E 0.08 I 0.08 L 0.08 C Shift Assignments>> C :: 174.968 CA :: 57.929 CB :: 27.724 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 :: 7.743 HA :: 5.002 HB2 :: 2.552 HB3 :: 3.091 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.635 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.172 CA :: 59.958 CB :: 63.611 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.564 HA :: 4.693 HB2 :: 3.800 HB3 :: 3.845 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.354 Ave N Shift Values>> N :: 116.28(3.52) 1.T223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.076 CA :: 63.297 CB :: 70.185 CG2 :: 21.272 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 :: 7.338 HA :: 4.218 HB :: 4.096 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 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 :: 113.937 Ave N Shift Values>> N :: 115.42(4.75) 1.V224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 173.011 CA :: 59.968 CB :: 34.037 CG1 :: 21.305 CG2 :: 19.608 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 :: 7.573 HA :: 4.028 HB :: 1.532 HG11 :: 0.600 HG12 :: 0.600 HG13 :: 0.600 HG21 :: 0.509 HG22 :: 0.509 HG23 :: 0.509 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 :: 120.436 Ave N Shift Values>> N :: 121.14(4.54) 1.A225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 I 0.1 A 0.1 C 0.02 C Shift Assignments>> C :: 180.423 CA :: 56.406 CB :: 16.999 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.278 HA :: 3.528 HB1 :: 1.051 HB2 :: 1.051 HB3 :: 1.051 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.664 Ave N Shift Values>> N :: 123.23(3.54) 1.D226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.11 N 0.09 F 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 174.138 CA :: 54.374 CB :: 41.197 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 :: 8.388 HA :: 4.196 HB2 :: 2.104 HB3 :: 2.970 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.361 Ave N Shift Values>> N :: 120.65(3.86) 1.G227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 175.709 CA :: 44.790 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.210 HA2 :: 3.455 HA3 :: 4.427 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.286 Ave N Shift Values>> N :: 109.67(3.87) 1.L228 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.42 L 0.31 C 0.18 R 0.04 G 0.02 C Shift Assignments>> C :: 177.938 CA :: 53.906 CB :: 42.532 CG :: 26.150 CD1 :: 26.055 CD2 :: 20.886 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 :: 7.220 HA :: 3.846 HB2 :: 0.871 HB3 :: 1.694 HG :: 1.055 HD11 :: 0.294 HD12 :: 0.294 HD13 :: 0.294 HD21 :: -0.482(S) HD22 :: -0.482(S) HD23 :: -0.482(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.463 Ave N Shift Values>> N :: 121.86(3.9) 1.I229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 173.347 CA :: 62.029 CB :: 38.471 CG1 :: 29.007 CG2 :: 16.919 CD1 :: 14.252 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 :: 7.079 HA :: 3.646 HB :: 1.165 HG12 :: 0.439 HG13 :: 0.867 HG21 :: 0.012 HG22 :: 0.012 HG23 :: 0.012 HD11 :: 0.531 HD12 :: 0.531 HD13 :: 0.531 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 :: 118.111 Ave N Shift Values>> N :: 121.46(4.28) 1.T230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 T 0.14 A 0.09 S 0.05 C Shift Assignments>> C :: 171.106 CA :: 59.252 CB :: 68.624 CG2 :: 18.163 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 :: 6.753 HA :: 3.984 HB :: 3.357 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 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 :: 110.937 Ave N Shift Values>> N :: 115.42(4.75) 1.T231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 C Shift Assignments>> C :: 175.106 CA :: 60.312 CB :: 69.812 CG2 :: 22.596 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 :: 7.261 HA :: 4.001 HB :: 3.743 HG21 :: 0.666 HG22 :: 0.666 HG23 :: 0.666 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 :: 106.636 Ave N Shift Values>> N :: 115.42(4.75) 1.L232 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 A 0.33 L 0.05 C Shift Assignments>> C :: 175.511 CA :: 53.689 CB :: 37.433 CG :: 24.900 CD1 :: 22.536 CD2 :: 25.362 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.579 HA :: 3.516 HB2 :: -0.949(S) HB3 :: 0.860 HG :: 0.963 HD11 :: 0.127 HD12 :: 0.127 HD13 :: 0.127 HD21 :: 0.093 HD22 :: 0.093 HD23 :: 0.093 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 :: 117.848 Ave N Shift Values>> N :: 121.86(3.9) 1.H233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.18 C 0.16 Q 0.14 R 0.09 H 0.08 W 0.06 E 0.04 V 0.02 C Shift Assignments>> C :: 174.912 CA :: 56.452 CB :: 32.912 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 :: 8.404 HA :: 4.774 HB2 :: 2.701 HB3 :: 2.816 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 :: 122.699 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 C Shift Assignments>> CA :: 54.987 CB :: 40.555 CD1 :: 133.464 CD2 :: 133.464 CE1 :: 118.429 CE2 :: 118.432 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 :: 8.093 HA :: 5.251 HB2 :: 2.793 HB3 :: 3.094 HD1 :: 7.098 HD2 :: 7.098 HE1 :: 6.806 HE2 :: 6.806 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 :: 119.506 Ave N Shift Values>> N :: 120.52(4.2) 1.P235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 176.690 CA :: 62.097 CB :: 31.809 CG :: 27.965 CD :: 50.873 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.879 HB2 :: 1.768 HB3 :: 1.830 HG2 :: 2.039 HG3 :: 2.292 HD2 :: 3.768 HD3 :: 3.981 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.A236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 175.444 CA :: 50.277 CB :: 17.893 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.694 HA :: 4.559 HB1 :: 1.130 HB2 :: 1.130 HB3 :: 1.130 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.778 Ave N Shift Values>> N :: 123.23(3.54) 1.P237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.531 CA :: 63.119 CB :: 32.137 CG :: 27.636 CD :: 50.700 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 :: 4.422 HB2 :: 1.890 HB3 :: 2.296 HG2 :: 2.038 HG3 :: 2.038 HD2 :: 3.698 HD3 :: 3.932 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.K238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.19 Q 0.18 C 0.17 R 0.07 H 0.06 W 0.04 E 0.03 V 0.02 HN Overlap>> 1.H34 1.H34 C Shift Assignments>> C :: 176.163 CA :: 56.673 CB :: 33.322 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 :: 8.142 HA :: 4.079 HB2 :: 1.441 HB3 :: 1.589 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 :: 121.710 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.42 G 0.09 K 0.05 C Shift Assignments>> C :: 180.828 CA :: 57.326 CB :: 31.831 CG :: 27.362 CD :: 43.641 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 :: 7.941 HA :: 4.157 HB2 :: 1.710 HB3 :: 1.852 HG2 :: 1.586 HG3 :: 1.586 HD2 :: 3.173 HD3 :: 3.173 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.759 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.N240 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K241 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P242 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T243 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V244 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y245 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G246 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V247 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S248 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P249 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N250 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y251 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D252 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K253 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W254 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E255 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 243 #Clerical: 0 #Suspicious: 11 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 193 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 62 Shift Relative Order (SRO) Results: #Consistent: 255 #Suspicious: 0 C Shift Results: #Consistent: 834 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1230 #Duplicate: 0 #Unknown: 0 #Suspicious: 26 #Anomalous: 1 N Shift Results: #Consistent: 180 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V109 HG21 = -0.238(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.0961e-04 1.V109 HG22 = -0.238(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.0961e-04 1.V109 HG23 = -0.238(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.0961e-04 1.E120 HB2 = -0.388(A), Expected = 2.02, Std = 0.2100, ChiSquare = 1.9399e-30 1.E120 HB3 = 1.134(S), Expected = 1.99, Std = 0.2300, ChiSquare = 1.9786e-04 1.E120 HG2 = 0.672(S), Expected = 2.27, Std = 0.2100, ChiSquare = 2.7511e-14 1.E120 HG3 = 1.300(S), Expected = 2.25, Std = 0.2200, ChiSquare = 1.5732e-05 1.P131 HG2 = 0.371(S), Expected = 1.93, Std = 0.3100, ChiSquare = 4.9296e-07 1.P131 HG3 = 0.517(S), Expected = 1.90, Std = 0.3300, ChiSquare = 2.7784e-05 1.P131 HD2 = 2.028(S), Expected = 3.65, Std = 0.3500, ChiSquare = 3.5817e-06 1.P131 HD3 = 2.087(S), Expected = 3.61, Std = 0.3900, ChiSquare = 9.4175e-05 1.G149 H = 5.730(S), Expected = 8.33, Std = 0.6500, ChiSquare = 6.3342e-05 1.R153 HG2 = 0.537(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.3028e-04 1.S167 HA = 6.046(S), Expected = 4.48, Std = 0.4000, ChiSquare = 9.0404e-05 1.E187 HG2 = 0.994(S), Expected = 2.27, Std = 0.2100, ChiSquare = 1.2307e-09 1.N196 HB2 = 1.038(S), Expected = 2.81, Std = 0.3100, ChiSquare = 1.0898e-08 1.V218 HG11 = -0.242(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.7384e-05 1.V218 HG12 = -0.242(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.7384e-05 1.V218 HG13 = -0.242(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.7384e-05 1.V218 HG21 = -0.151(S), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8271e-04 1.V218 HG22 = -0.151(S), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8271e-04 1.V218 HG23 = -0.151(S), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8271e-04 1.H220 HD2 = 5.343(S), Expected = 7.00, Std = 0.4300, ChiSquare = 1.1645e-04 1.L228 HD21 = -0.482(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.9239e-05 1.L228 HD22 = -0.482(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.9239e-05 1.L228 HD23 = -0.482(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.9239e-05 1.L232 HB2 = -0.949(S), Expected = 1.61, Std = 0.3400, ChiSquare = 5.2130e-14