Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Q1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 62.540 CB :: 69.602 CG2 :: 21.737 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>> HA :: 4.285 HB :: 4.306 HG21 :: 1.278 HG22 :: 1.278 HG23 :: 1.278 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) 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.45 K 0.41 R 0.08 V 0.02 Q 0.02 C Shift Assignments>> CA :: 58.474 CB :: 32.279 CG :: 24.929 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>> HA :: 4.170 HB2 :: 1.856 HB3 :: 1.856 HG2 :: 1.363 HG3 :: 1.363 HE2 :: 2.927 HE3 :: 2.927 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) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 R 0.03 C Shift Assignments>> C :: 177.903 CA :: 57.512 CB :: 41.589 CG :: 27.167 CD1 :: 24.368 CD2 :: 25.331 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 :: 8.024 HA :: 4.100 HB2 :: 1.668 HB3 :: 1.668 HG :: 1.557 HD11 :: 1.016 HD12 :: 1.016 HD13 :: 1.016 HD21 :: 0.952 HD22 :: 0.952 HD23 :: 0.952 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.213 Ave N Shift Values>> N :: 121.86(3.9) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.36 R 0.16 C Shift Assignments>> C :: 179.038 CA :: 59.975 CB :: 31.965 CG :: 25.915 CD :: 29.116 CE :: 42.185 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 :: 8.058 HA :: 3.787 HB2 :: 1.820 HB3 :: 1.820 HG2 :: 1.509 HG3 :: 1.346 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.911 HE3 :: 2.911 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.917 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.897 CA :: 61.161 CB :: 63.077 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.844 HA :: 4.260 HB2 :: 3.952 HB3 :: 3.952 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.249 Ave N Shift Values>> N :: 116.28(3.52) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.094 CA :: 63.999 CB :: 31.878 CG1 :: 20.956 CG2 :: 21.201 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 :: 7.685 HA :: 4.017 HB :: 2.213 HG11 :: 0.965 HG12 :: 0.965 HG13 :: 0.965 HG21 :: 1.051 HG22 :: 1.051 HG23 :: 1.051 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 :: 119.186 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 0.54 C 0.31 A 0.09 R 0.04 C Shift Assignments>> C :: 177.550 CA :: 54.949 CB :: 41.746 CG :: 25.827 CD1 :: 26.646 CD2 :: 22.483 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 :: 7.422 HA :: 4.037 HB2 :: 1.758 HB3 :: 1.642 HG :: 2.029 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 HD21 :: 0.791 HD22 :: 0.791 HD23 :: 0.791 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.840 Ave N Shift Values>> N :: 121.86(3.9) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 C 0.27 Q 0.26 R 0.09 M 0.05 E 0.02 C Shift Assignments>> C :: 175.804 CA :: 57.267 CB :: 28.681 CG :: 33.160 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.068 HA :: 3.962 HB2 :: 1.929 HB3 :: 2.092 HG2 :: 2.302 HG3 :: 2.388 HE21 :: 6.784 HE22 :: 7.506 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 :: 119.443 NE2 :: 112.260 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 F 0.18 N 0.14 C 0.09 K 0.04 I 0.01 C Shift Assignments>> C :: 173.997 CA :: 55.237 CB :: 40.328 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 :: 9.042 HA :: 4.309 HB2 :: 2.622 HB3 :: 2.917 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 :: 121.863 Ave N Shift Values>> N :: 120.65(3.86) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.02 C 0.02 L 0.01 C Shift Assignments>> C :: 177.500 CA :: 51.476 CB :: 20.108 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.955 HA :: 4.611 HB1 :: 0.625 HB2 :: 0.625 HB3 :: 0.625 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.763 Ave N Shift Values>> N :: 123.23(3.54) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.3 G 0.23 K 0.02 C Shift Assignments>> C :: 174.269 CA :: 54.279 CB :: 33.639 CG :: 26.868 CD :: 43.867 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 :: 7.749 HA :: 4.623 HB2 :: 1.308 HB3 :: 1.897 HG2 :: 1.724 HG3 :: 1.771 HD2 :: 3.025 HD3 :: 3.430 HE :: 8.275 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 :: 114.874 NE :: 85.025 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.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.19 G 0.16 C Shift Assignments>> C :: 174.957 CA :: 56.423 CB :: 43.358 CD1 :: 130.645 CE1 :: 131.336 CZ :: 128.560 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 :: 8.975 HA :: 5.268 HB2 :: 2.983 HB3 :: 2.218 HD1 :: 6.696 HD2 :: 6.696 HE1 :: 7.148 HE2 :: 7.148 HZ :: 7.019 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.607 Ave N Shift Values>> N :: 120.45(4.18) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.23 G 0.03 C Shift Assignments>> C :: 173.329 CA :: 56.478 CB :: 42.471 CD1 :: 131.124 CE1 :: 129.797 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 :: 9.111 HA :: 4.929 HB2 :: 2.376 HB3 :: 2.400 HD1 :: 6.890 HD2 :: 6.890 HE1 :: 6.967 HE2 :: 6.967 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.346 Ave N Shift Values>> N :: 120.45(4.18) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.27 C 0.2 R 0.06 A 0.03 HN Overlap>> 1.E41 1.E41 C Shift Assignments>> C :: 174.016 CA :: 54.128 CB :: 44.265 CG :: 27.276 CD1 :: 23.322 CD2 :: 25.713 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 :: 9.005 HA :: 4.604 HB2 :: 2.033 HB3 :: 1.194 HG :: 1.333 HD11 :: 0.993 HD12 :: 0.993 HD13 :: 0.993 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 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 :: 125.607 Ave N Shift Values>> N :: 121.86(3.9) 1.I17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 A 0.42 C Shift Assignments>> C :: 175.051 CA :: 55.741 CB :: 37.090 CG1 :: 27.012 CG2 :: 18.676 CD1 :: 7.724(S) 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 :: 8.980 HA :: 4.538 HB :: 0.451(S) HG12 :: 0.906 HG13 :: 0.906 HG21 :: -0.055 HG22 :: -0.055 HG23 :: -0.055 HD11 :: 0.469 HD12 :: 0.469 HD13 :: 0.469 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 :: 129.378 Ave N Shift Values>> N :: 121.46(4.28) 1.K18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 R 0.32 G 0.2 A 0.07 K 0.01 C Shift Assignments>> C :: 173.706 CA :: 50.279 CB :: 31.234 CG :: 23.886 CD :: 25.996 CE :: 42.424 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.255 HA :: 5.481 HB2 :: 1.465 HB3 :: 1.746 HG2 :: 1.437 HG3 :: 1.832 HD2 :: 1.764 HD3 :: 2.326(S) HE2 :: 3.110 HE3 :: 3.110 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 :: 125.419 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.77 P 0.19 T 0.01 C 0.01 C Shift Assignments>> C :: 176.937 CA :: 53.266 CB :: 66.038 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.465 HA :: 3.830 HB2 :: 3.277 HB3 :: 3.417 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 :: 105.270 Ave N Shift Values>> N :: 116.28(3.52) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.17 F 0.12 D 0.12 E 0.04 L 0.03 M 0.02 I 0.01 C Shift Assignments>> CA :: 54.382 CB :: 38.115 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 :: 10.060 HA :: 4.750 HB2 :: 3.032 HB3 :: 3.375 HD21 :: 7.239 HD22 :: 7.576 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 :: 127.222 ND2 :: 111.615 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.22 L 0.19 K 0.05 C 0.05 F 0.04 R 0.01 C Shift Assignments>> CA :: 51.938 CB :: 41.274 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 :: 8.180 HA :: 5.078 HB2 :: 2.944 HB3 :: 3.604 HD21 :: 7.847 HD22 :: 6.482 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 :: 112.125 ND2 :: 111.763 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.37 W 0.33 H 0.28 C Shift Assignments>> C :: 178.715 CA :: 59.472 CB :: 31.436 CD2 :: 119.145 CE1 :: 137.137 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 :: 4.333 HB2 :: 3.020 HB3 :: 3.085 HD2 :: 7.165 HE1 :: 7.548 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.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.32 E 0.04 C Shift Assignments>> C :: 180.139 CA :: 61.829 CB :: 28.763 CG :: 37.865 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 :: 10.248 HA :: 4.074 HB2 :: 2.007 HB3 :: 2.007 HG2 :: 2.442 HG3 :: 2.685 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 :: 124.076 Ave N Shift Values>> N :: 120.67(3.48) 1.N24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 E 0.26 N 0.13 F 0.13 M 0.08 I 0.03 D 0.02 K 0.02 L 0.01 HN Overlap>> 1.D133 1.D133 C Shift Assignments>> C :: 178.685 CA :: 55.950 CB :: 37.157 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 :: 9.055 HA :: 5.215 HB2 :: 3.287 HB3 :: 3.221 HD21 :: 10.077(S) HD22 :: 7.710 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 :: 118.192 ND2 :: 109.451 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 177.322 CA :: 66.705 CB :: 30.971 CG1 :: 24.124 CG2 :: 21.178 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 :: 7.195 HA :: 3.969 HB :: 2.253 HG11 :: 1.046 HG12 :: 1.046 HG13 :: 1.046 HG21 :: 0.690 HG22 :: 0.690 HG23 :: 0.690 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 :: 121.762 Ave N Shift Values>> N :: 121.14(4.54) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.806 CA :: 62.119 CB :: 62.027 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.386 HA :: 4.056 HB2 :: 3.984 HB3 :: 3.984 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.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.44 R 0.04 G 0.01 C Shift Assignments>> C :: 178.848 CA :: 58.703 CB :: 42.351 CG :: 27.516 CD1 :: 24.816 CD2 :: 24.201 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 :: 8.475 HA :: 4.207 HB2 :: 2.003 HB3 :: 1.878 HG :: 1.508 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 HD21 :: 0.529 HD22 :: 0.529 HD23 :: 0.529 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 :: 125.046 Ave N Shift Values>> N :: 121.86(3.9) 1.A28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.33 A 0.2 C 0.19 V 0.12 T 0.08 M 0.04 C Shift Assignments>> C :: 183.318 CA :: 56.193 CB :: 21.213 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.740 HA :: 4.816 HB1 :: 2.470(S) HB2 :: 2.470(S) HB3 :: 2.470(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.286 Ave N Shift Values>> N :: 123.23(3.54) 1.K29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 R 0.35 K 0.12 G 0.01 C Shift Assignments>> C :: 177.408 CA :: 59.449 CB :: 32.737 CG :: 27.274 CD :: 29.488 CE :: 42.560 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 :: 8.393 HA :: 3.166 HB2 :: 1.183 HB3 :: 1.688 HG2 :: 0.797 HG3 :: -1.152(S) HD2 :: 1.185 HD3 :: 1.034 HE2 :: 1.912(S) HE3 :: 1.912(S) 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 :: 120.307 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.21 C 0.03 L 0.01 C Shift Assignments>> C :: 180.136 CA :: 54.240 CB :: 19.323 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.691 HA :: 4.259 HB1 :: 1.524 HB2 :: 1.524 HB3 :: 1.524 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.591 Ave N Shift Values>> N :: 123.23(3.54) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.4 R 0.07 C Shift Assignments>> C :: 177.469 CA :: 55.804 CB :: 34.569 CG :: 25.083 CD :: 28.335 CE :: 41.840 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 :: 8.661 HA :: 4.497 HB2 :: 1.722 HB3 :: 1.895 HG2 :: 1.435 HG3 :: 1.435 HD2 :: 1.456 HD3 :: 1.497 HE2 :: 2.829 HE3 :: 2.912 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.573 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 P 0.25 A 0.11 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 174.883 CA :: 48.078 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.507 HA2 :: 3.908 HA3 :: 4.241 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.593 Ave N Shift Values>> N :: 109.67(3.87) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 A 0.04 I 0.01 C Shift Assignments>> C :: 174.006 CA :: 57.896 CB :: 37.372 CG1 :: 22.298 CG2 :: 17.206 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 :: 7.177 HA :: 5.845 HB :: 2.233 HG11 :: 0.852 HG12 :: 0.852 HG13 :: 0.852 HG21 :: 0.689 HG22 :: 0.689 HG23 :: 0.689 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 :: 109.376 Ave N Shift Values>> N :: 121.14(4.54) 1.W34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.97 W 0.02 C Shift Assignments>> C :: 173.146 CA :: 56.650 CB :: 34.891 CD1 :: 122.923 CE3 :: 121.573 CZ2 :: 115.167 CZ3 :: 124.332 CH2 :: 122.497 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 :: 8.967 HA :: 5.597 HB2 :: 3.534 HB3 :: 2.500 HD1 :: 6.227 HE1 :: 11.177 HE3 :: 8.297 HZ2 :: 6.800 HZ3 :: 7.374 HH2 :: 6.630 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 :: 114.912 NE1 :: 136.347(S) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.68 S 0.31 C Shift Assignments>> C :: 169.071 CA :: 58.171 CB :: 67.410 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 5.088(S) HB2 :: 2.619(S) HB3 :: 3.612 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 :: 121.164 Ave N Shift Values>> N :: 116.28(3.52) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 A 0.4 T 0.05 C Shift Assignments>> CA :: 58.014 CB :: 70.265 CG2 :: 18.053 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 :: 9.358 HA :: 4.808 HB :: 4.074 HG21 :: 1.197 HG22 :: 1.197 HG23 :: 1.197 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 :: 118.263 Ave N Shift Values>> N :: 115.42(4.75) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.29 A 0.04 C Shift Assignments>> CA :: 53.693 CB :: 40.472 CG :: 28.117 CD1 :: 24.876 CD2 :: 23.549 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 :: 7.922 HA :: 4.646 HB2 :: 1.506 HB3 :: 1.427 HG :: 1.506 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: 0.452 HD22 :: 0.452 HD23 :: 0.452 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.995 Ave N Shift Values>> N :: 121.86(3.9) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 179.424 CA :: 66.970 CB :: 32.528 CG :: 27.761 CD :: 49.861 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 :: 4.412 HB2 :: 2.078 HB3 :: 2.430 HG2 :: 2.298 HG3 :: 2.298 HD2 :: 3.785 HD3 :: 4.269 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.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.457 CA :: 66.430 CB :: 31.373 CG1 :: 20.565 CG2 :: 22.513 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 :: 8.428 HA :: 3.764 HB :: 2.102 HG11 :: 0.911 HG12 :: 0.911 HG13 :: 0.911 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 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 :: 117.084 Ave N Shift Values>> N :: 121.14(4.54) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.19 F 0.12 D 0.09 E 0.07 M 0.03 L 0.03 I 0.01 C Shift Assignments>> C :: 176.591 CA :: 54.530 CB :: 37.895 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.325 HA :: 4.633 HB2 :: 3.120 HB3 :: 2.482 HD21 :: 7.102 HD22 :: 5.844 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 :: 119.648 ND2 :: 111.849 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.24 Q 0.16 K 0.15 I 0.05 M 0.03 HN Overlap>> 1.L16 1.L16 C Shift Assignments>> C :: 177.917 CA :: 59.232 CB :: 29.608 CG :: 35.005 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 :: 8.986 HA :: 3.854 HB2 :: 2.297 HB3 :: 2.036 HG2 :: 2.388 HG3 :: 2.081 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 :: 125.658 Ave N Shift Values>> N :: 120.67(3.48) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.07 C Shift Assignments>> C :: 178.772 CA :: 59.415 CB :: 32.312 CG :: 25.058 CD :: 29.304 CE :: 42.007 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 :: 7.490 HA :: 4.156 HB2 :: 1.928 HB3 :: 1.928 HG2 :: 1.471 HG3 :: 1.595 HD2 :: 1.711 HD3 :: 1.711 HE2 :: 2.962 HE3 :: 2.962 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.892 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.44 R 0.03 C Shift Assignments>> C :: 179.471 CA :: 59.629 CB :: 32.627 CG :: 24.680 CD :: 29.879 CE :: 41.763 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 :: 7.202 HA :: 4.004 HB2 :: 1.845 HB3 :: 1.963 HG2 :: 1.355 HG3 :: 1.602 HD2 :: 1.766 HD3 :: 1.872 HE2 :: 3.002 HE3 :: 3.072 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 :: 118.355 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 L 0.44 A 0.02 C Shift Assignments>> C :: 178.770 CA :: 57.752 CB :: 41.326 CG :: 27.013 CD1 :: 23.734 CD2 :: 21.452 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 :: 8.476 HA :: 3.529 HB2 :: 0.728 HB3 :: 1.688 HG :: 1.250 HD11 :: 0.057 HD12 :: 0.057 HD13 :: 0.057 HD21 :: -0.368(S) HD22 :: -0.368(S) HD23 :: -0.368(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 :: 120.598 Ave N Shift Values>> N :: 121.86(3.9) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 F 0.25 E 0.14 N 0.11 I 0.08 D 0.05 M 0.04 L 0.02 C Shift Assignments>> C :: 178.298 CA :: 56.637 CB :: 37.921 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 :: 8.327 HA :: 4.760 HB2 :: 2.766 HB3 :: 2.936 HD21 :: 7.042 HD22 :: 7.296 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 :: 118.795 ND2 :: 110.523 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 R 0.01 C Shift Assignments>> CA :: 57.821 CB :: 41.588 CG :: 27.251 CD1 :: 24.730 CD2 :: 23.570 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 :: 7.827 HA :: 4.065 HB2 :: 1.821 HB3 :: 1.632 HG :: 1.766 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.602 Ave N Shift Values>> N :: 121.86(3.9) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.43 I 0.03 C 0.02 C Shift Assignments>> C :: 178.807 CA :: 55.075 CB :: 18.344 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.175 HA :: 4.077 HB1 :: 1.466 HB2 :: 1.466 HB3 :: 1.466 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.947 Ave N Shift Values>> N :: 123.23(3.54) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 177.226 CA :: 61.467 CB :: 38.916 CD1 :: 131.303 CE1 :: 130.896 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 :: 8.874 HA :: 3.943 HB2 :: 3.291 HB3 :: 3.254 HD1 :: 6.963 HD2 :: 6.963 HE1 :: 7.249 HE2 :: 7.249 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 :: 118.422 Ave N Shift Values>> N :: 120.45(4.18) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.41 G 0.11 K 0.04 C Shift Assignments>> C :: 176.872 CA :: 57.090 CB :: 31.083 CG :: 27.761 CD :: 43.797 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 :: 7.380 HA :: 4.084 HB2 :: 2.034 HB3 :: 1.883 HG2 :: 1.817 HG3 :: 2.089 HD2 :: 3.148 HD3 :: 3.265 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 112.973 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.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.255 CA :: 58.687 CB :: 64.967 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.595 HA :: 4.538 HB2 :: 3.839 HB3 :: 3.915 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.074 Ave N Shift Values>> N :: 116.28(3.52) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 L 0.08 C 0.05 C Shift Assignments>> C :: 177.289 CA :: 50.968 CB :: 21.302 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.836 HA :: 4.649 HB1 :: 1.295 HB2 :: 1.295 HB3 :: 1.295 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.284 Ave N Shift Values>> N :: 123.23(3.54) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.44 K 0.05 G 0.03 HN Overlap>> 1.D103 1.D103 C Shift Assignments>> C :: 176.848 CA :: 58.279 CB :: 30.377 CG :: 27.012 CD :: 43.026 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 :: 8.762 HA :: 3.941 HB2 :: 1.821 HB3 :: 1.754 HG2 :: 1.651 HG3 :: 1.651 HD2 :: 3.192 HD3 :: 3.192 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 :: 121.621 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.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 171.564 CA :: 57.202 CB :: 66.275 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.012 HA :: 4.589 HB2 :: 3.425 HB3 :: 3.559 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 :: 109.404 Ave N Shift Values>> N :: 116.28(3.52) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.41 K 0.01 C Shift Assignments>> C :: 173.507 CA :: 61.262 CB :: 32.847 CG1 :: 22.102 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 :: 9.136 HA :: 4.497 HB :: 2.089 HG11 :: 0.838 HG12 :: 0.838 HG13 :: 0.838 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 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 :: 126.207 Ave N Shift Values>> N :: 121.14(4.54) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 A 0.1 I 0.05 C Shift Assignments>> C :: 173.823 CA :: 57.194 CB :: 36.857 CG1 :: 26.076 CG2 :: 17.475 CD1 :: 9.076 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 :: 9.189 HB :: 1.579 HG12 :: 0.945 HG13 :: 0.779 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 HD11 :: 0.459 HD12 :: 0.459 HD13 :: 0.459 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 :: 128.834 Ave N Shift Values>> N :: 121.46(4.28) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.14 A 0.08 G 0.04 R 0.02 C Shift Assignments>> CA :: 52.450 CB :: 42.632 CG :: 27.453 CD1 :: 24.853 CD2 :: 23.057 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.174 HA :: 4.837 HB2 :: 1.328 HB3 :: 0.689 HG :: 1.365 HD11 :: 0.429 HD12 :: 0.429 HD13 :: 0.429 HD21 :: 0.415 HD22 :: 0.415 HD23 :: 0.415 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 :: 126.903 Ave N Shift Values>> N :: 121.86(3.9) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 HN Overlap>> 1.A93 1.A93 C Shift Assignments>> C :: 174.651 CA :: 60.833 CB :: 38.998 CG1 :: 27.717 CG2 :: 18.907 CD1 :: 15.206 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 :: 8.860 HA :: 4.509 HB :: 1.587 HG12 :: 0.660 HG13 :: 1.368 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 HD11 :: 0.545 HD12 :: 0.545 HD13 :: 0.545 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.568 Ave N Shift Values>> N :: 121.46(4.28) 1.F58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.55 C 0.39 G 0.05 C Shift Assignments>> C :: 178.143 CA :: 58.793 CB :: 42.522 CD2 :: 130.173 CE2 :: 130.356 CZ :: 127.608 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 :: 8.640 HB2 :: 2.429 HB3 :: 2.897 HD1 :: 6.416 HD2 :: 6.416 HE1 :: 5.319(S) HE2 :: 5.319(S) HZ :: 5.877 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 :: 125.452 Ave N Shift Values>> N :: 120.45(4.18) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.559 CA :: 56.143 CB :: 63.617 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.301 HA :: 5.702 HB2 :: 3.542 HB3 :: 4.180 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 :: 114.931 Ave N Shift Values>> N :: 116.28(3.52) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 177.547 CA :: 62.888 CB :: 31.933 CG1 :: 18.750 CG2 :: 22.186 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 :: 9.535 HA :: 3.967 HB :: 1.351 HG11 :: 0.179 HG12 :: 0.179 HG13 :: 0.179 HG21 :: 0.723 HG22 :: 0.723 HG23 :: 0.723 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 :: 131.645 Ave N Shift Values>> N :: 121.14(4.54) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.28 G 0.23 C Shift Assignments>> C :: 175.157 CA :: 58.080 CB :: 31.978 CG :: 27.453 CD :: 44.404 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 :: 9.415 HA :: 4.298 HB2 :: 1.847 HB3 :: 2.085 HG2 :: 1.947 HG3 :: 1.866 HD2 :: 3.364 HD3 :: 3.407 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 :: 131.551 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.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.39 E 0.05 L 0.02 C Shift Assignments>> C :: 176.444 CA :: 59.505 CB :: 27.638 CG :: 38.341 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 :: 8.602 HA :: 4.151 HB2 :: 2.358 HB3 :: 2.358 HG2 :: 2.338 HG3 :: 2.470 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.693 Ave N Shift Values>> N :: 120.67(3.48) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 176.433 CA :: 59.850 CB :: 64.913 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.158 HA :: 4.358 HB2 :: 3.483 HB3 :: 3.916 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 :: 113.912 Ave N Shift Values>> N :: 116.28(3.52) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.734 CA :: 46.154 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.218 HA2 :: 3.426 HA3 :: 3.705 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.529 Ave N Shift Values>> N :: 109.67(3.87) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 R 0.27 K 0.02 G 0.02 C Shift Assignments>> C :: 174.117 CA :: 54.380 CB :: 38.631 CG :: 24.907 CD :: 30.136 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 :: 6.855 HA :: 4.114 HB2 :: 1.569 HB3 :: 1.107 HG2 :: 1.221 HG3 :: 0.912 HD2 :: 1.412 HD3 :: 1.318 HE2 :: 2.852 HE3 :: 2.823 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.618 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.28 G 0.02 C Shift Assignments>> C :: 177.851 CA :: 56.781 CB :: 42.335 CD2 :: 132.450 CE2 :: 129.058 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 :: 8.632 HA :: 5.437 HB2 :: 3.163 HB3 :: 3.684 HD1 :: 7.287 HD2 :: 7.287 HE1 :: 6.663 HE2 :: 6.663 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.720 Ave N Shift Values>> N :: 120.45(4.18) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.14 K 0.1 Q 0.05 C Shift Assignments>> C :: 173.679 CA :: 58.552 CB :: 28.877 CG :: 36.139 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 :: 8.707 HA :: 4.470 HB2 :: 1.954 HB3 :: 1.954 HG2 :: 2.450 HG3 :: 2.671 HE21 :: 6.622 HE22 :: 8.021 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 :: 120.952 NE2 :: 110.248 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 C Shift Assignments>> C :: 172.030 CA :: 44.474 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.359 HA2 :: 3.723 HA3 :: 5.152(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.673 Ave N Shift Values>> N :: 109.67(3.87) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.25 G 0.03 C Shift Assignments>> C :: 173.285 CA :: 56.479 CB :: 42.376 CD2 :: 132.005 CE2 :: 130.827 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 :: 9.036 HA :: 5.826 HB2 :: 2.842 HB3 :: 2.842 HD1 :: 6.050 HD2 :: 6.050 HE1 :: 6.890 HE2 :: 6.890 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 :: 112.044 Ave N Shift Values>> N :: 120.45(4.18) 1.A70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.34 P 0.32 C 0.19 K 0.06 A 0.04 C Shift Assignments>> C :: 173.540 CA :: 50.050 CB :: 24.314 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.242 HA :: 4.641 HB1 :: 0.080(S) HB2 :: 0.080(S) HB3 :: 0.080(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.879 Ave N Shift Values>> N :: 123.23(3.54) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 G 0.33 R 0.28 K 0.02 C Shift Assignments>> C :: 175.969 CA :: 53.824 CB :: 33.132 CG :: 27.636 CD :: 44.148 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 :: 8.884 HA :: 5.186 HB2 :: 1.390 HB3 :: 1.806 HG2 :: 1.525 HG3 :: 1.791 HD2 :: 3.090 HD3 :: 3.169 HE :: 7.508 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 :: 121.136 NE :: 83.896 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.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 C 0.31 G 0.22 R 0.13 C Shift Assignments>> C :: 176.662 CA :: 56.045 CB :: 44.154 CG :: 26.558 CD1 :: 24.344 CD2 :: 26.990 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 :: 8.977 HA :: 4.303 HB2 :: 1.276 HB3 :: 2.056 HG :: 1.654 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 HD21 :: 0.674 HD22 :: 0.674 HD23 :: 0.674 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 :: 128.327 Ave N Shift Values>> N :: 121.86(3.9) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.808 CA :: 57.791 CB :: 64.487 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.082 HA :: 4.985 HB2 :: 3.770 HB3 :: 3.576 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 :: 120.522 Ave N Shift Values>> N :: 116.28(3.52) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.59 T 0.4 C Shift Assignments>> C :: 170.592 CA :: 57.619 CB :: 67.048 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.646 HA :: 4.073 HB2 :: 4.152 HB3 :: 3.658 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 :: 117.374 Ave N Shift Values>> N :: 116.28(3.52) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 E 0.22 M 0.15 C Shift Assignments>> C :: 178.184 CA :: 55.489 CB :: 31.745 CG :: 37.929 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 :: 7.531 HA :: 4.475 HB2 :: 1.768 HB3 :: 2.105 HG2 :: 2.279 HG3 :: 2.343 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 :: 113.100 Ave N Shift Values>> N :: 120.67(3.48) 1.S76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.399 CA :: 57.971 CB :: 61.833 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.304 HA :: 3.321 HB2 :: 2.072(S) HB3 :: 2.516(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.216 Ave N Shift Values>> N :: 116.28(3.52) 1.H77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 C 0.33 W 0.28 C Shift Assignments>> CA :: 55.067 CB :: 32.920 CD2 :: 120.361 CE1 :: 137.694 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 :: 8.196 HA :: 4.825 HB2 :: 3.018 HB3 :: 2.989 HD2 :: 6.916 HE1 :: 7.754 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 :: 118.768 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 H 0.35 W 0.13 C Shift Assignments>> CA :: 57.006 CB :: 32.071 CD2 :: 117.320 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>> HB2 :: 2.789 HB3 :: 3.002 HD2 :: 6.732 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.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.859 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.445 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.164 Ave N Shift Values>> N :: 109.67(3.87) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.27 G 0.27 C 0.04 F 0.04 D 0.04 C Shift Assignments>> CA :: 44.023 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.280 HA2 :: 3.839 HA3 :: 4.119 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.287 Ave N Shift Values>> N :: 109.67(3.87) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.885 CB :: 62.560 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 :: 4.524 HB2 :: 3.676 HB3 :: 3.792 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.704 Ave N Shift Values>> N :: 116.28(3.52) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 62.935 CB :: 31.980 CG :: 27.346 CD :: 50.535 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 :: 4.176 HB2 :: 1.476 HB3 :: 2.087 HG2 :: 1.902 HG3 :: 1.932 HD2 :: 3.597 HD3 :: 3.791 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.I83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.76 I 0.22 A 0.01 C Shift Assignments>> CA :: 58.257 CB :: 36.834 CG1 :: 26.848 CG2 :: 16.133 CD1 :: 10.437 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 :: 7.971 HA :: 3.589 HB :: 0.943 HG12 :: 1.076 HG13 :: 0.887 HG21 :: -0.673(S) HG22 :: -0.673(S) HG23 :: -0.673(S) HD11 :: 0.427 HD12 :: 0.427 HD13 :: 0.427 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 :: 122.475 Ave N Shift Values>> N :: 121.46(4.28) 1.H84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 C 0.32 W 0.27 C Shift Assignments>> C :: 174.520 CA :: 54.317 CB :: 27.572 CD2 :: 119.111 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 :: 8.331 HA :: 4.561 HB2 :: 2.826 HB3 :: 2.959 HD2 :: 6.842 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 :: 127.083 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W85 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 :: 176.822 CA :: 56.409 CB :: 31.328 CD1 :: 128.066 CE3 :: 119.710 CZ2 :: 113.723 CZ3 :: 122.296 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 :: 7.281 HA :: 4.429 HB2 :: 2.573 HB3 :: 3.079 HD1 :: 7.054 HE1 :: 9.642 HE3 :: 7.400 HZ2 :: 7.066 HZ3 :: 7.720 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 :: 121.510 NE1 :: 127.188 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 176.994 CA :: 63.019 CB :: 31.058 CG1 :: 21.031 CG2 :: 21.390 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 :: 10.111 HA :: 3.986 HB :: 2.102 HG11 :: 0.821 HG12 :: 0.821 HG13 :: 0.821 HG21 :: 1.035 HG22 :: 1.035 HG23 :: 1.035 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 :: 125.558 Ave N Shift Values>> N :: 121.14(4.54) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 C 0.13 A 0.06 C Shift Assignments>> CA :: 52.182 CB :: 41.421 CG :: 26.205 CD1 :: 25.537 CD2 :: 23.331 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 :: 8.648 HA :: 4.454 HB2 :: 1.251 HB3 :: 1.667 HG :: 1.601 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 HD21 :: 0.544 HD22 :: 0.544 HD23 :: 0.544 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 :: 131.040 Ave N Shift Values>> N :: 121.86(3.9) 1.P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.5 C 0.49 C Shift Assignments>> C :: 175.318 CA :: 61.780 CB :: 32.495 CG :: 28.398 CD :: 50.779 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 :: 4.465 HB2 :: 2.440 HB3 :: 1.856 HG2 :: 1.946 HG3 :: 1.861 HD2 :: 3.599 HD3 :: 4.060 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.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.37 C 0.01 I 0.01 C Shift Assignments>> CA :: 53.801 CB :: 17.937 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.430 HA :: 4.101 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.253 Ave N Shift Values>> N :: 123.23(3.54) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.989 CA :: 45.132 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.651 HA2 :: 3.631 HA3 :: 4.215 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.835 Ave N Shift Values>> N :: 109.67(3.87) 1.M91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.33 A 0.21 C Shift Assignments>> C :: 174.776 CA :: 55.293 CB :: 34.209 CG :: 32.857 CE :: 17.648 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.912 HA :: 4.631 HB2 :: 1.678 HB3 :: 1.823 HG2 :: 2.250 HG3 :: 2.250 HE1 :: 1.629 HE2 :: 1.629 HE3 :: 1.629 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.075 Ave N Shift Values>> N :: 120.09(3.57) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.132 CB :: 65.401 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.761 HA :: 4.639 HB2 :: 3.792 HB3 :: 4.076 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 :: 116.658 Ave N Shift Values>> N :: 116.28(3.52) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.39 I 0.03 C 0.02 HN Overlap>> 1.I57 1.I57 C Shift Assignments>> CA :: 54.959 CB :: 17.885 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.866 HA :: 3.895 HB1 :: 1.440 HB2 :: 1.440 HB3 :: 1.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.466 Ave N Shift Values>> N :: 123.23(3.54) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.44 C 0.42 R 0.12 C Shift Assignments>> C :: 178.368 CA :: 57.505 CB :: 31.982 CG :: 24.608 CD :: 29.065 CE :: 41.911 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>> HA :: 4.090 HB2 :: 1.772 HB3 :: 1.772 HG2 :: 1.403 HG3 :: 1.403 HD2 :: 1.633 HD3 :: 1.633 HE2 :: 2.952 HE3 :: 2.952 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) 1.M95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.45 A 0.01 V 0.01 C Shift Assignments>> C :: 174.546 CA :: 57.821 CB :: 32.662 CE :: 17.247 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.576 HA :: 4.027 HB2 :: 2.551 HB3 :: 2.583 HE1 :: 2.106 HE2 :: 2.106 HE3 :: 2.106 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.750 Ave N Shift Values>> N :: 120.09(3.57) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 A 0.31 C 0.13 G 0.01 C Shift Assignments>> C :: 176.962 CA :: 52.652 CB :: 41.981 CG :: 26.185 CD1 :: 25.102 CD2 :: 21.736 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 :: 6.724 HA :: 4.370 HB2 :: 1.171 HB3 :: 1.334 HG :: 0.970 HD11 :: 0.029 HD12 :: 0.029 HD13 :: 0.029 HD21 :: -0.097 HD22 :: -0.097 HD23 :: -0.097 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 :: 115.410 Ave N Shift Values>> N :: 121.86(3.9) 1.G97 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 :: 174.610 CA :: 46.079 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.438 HA2 :: 3.814 HA3 :: 3.935 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.176 Ave N Shift Values>> N :: 109.67(3.87) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.29 R 0.23 C 0.04 F 0.04 D 0.03 C Shift Assignments>> CA :: 44.137 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.304 HA2 :: 2.779 HA3 :: 3.214 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.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 176.063 CA :: 62.295 CB :: 33.835 CG1 :: 21.593 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 :: 8.420 HA :: 4.364 HB :: 1.846 HG11 :: 0.910 HG12 :: 0.910 HG13 :: 0.910 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 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 :: 125.230 Ave N Shift Values>> N :: 121.14(4.54) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 175.552 CA :: 57.493 CB :: 40.854 CD1 :: 132.406 CE1 :: 130.708 CZ :: 130.308 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 :: 9.746 HA :: 4.186 HB2 :: 2.795 HB3 :: 2.694 HD1 :: 7.372 HD2 :: 7.372 HE1 :: 7.320 HE2 :: 7.320 HZ :: 7.532 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 :: 128.288 Ave N Shift Values>> N :: 120.45(4.18) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.36 R 0.15 C Shift Assignments>> C :: 175.923 CA :: 55.854 CB :: 32.844 CG :: 24.793 CD :: 28.801 CE :: 42.149 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 :: 7.908 HA :: 4.824 HB2 :: 1.549 HB3 :: 1.744 HG2 :: 1.420 HG3 :: 1.591 HD2 :: 1.683 HD3 :: 1.683 HE2 :: 2.956 HE3 :: 2.956 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 :: 121.242 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.29 A 0.02 C Shift Assignments>> C :: 173.097 CA :: 58.813 CB :: 41.425 CG1 :: 24.579 CG2 :: 18.227 CD1 :: 14.904 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 :: 7.946 HA :: 4.969 HB :: 1.026 HG12 :: 0.878 HG13 :: 0.547 HG21 :: 0.619 HG22 :: 0.619 HG23 :: 0.619 HD11 :: 0.237 HD12 :: 0.237 HD13 :: 0.237 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 :: 115.630 Ave N Shift Values>> N :: 121.46(4.28) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.28 R 0.09 N 0.08 K 0.06 C 0.05 G 0.04 F 0.03 HN Overlap>> 1.R52 1.R52 C Shift Assignments>> C :: 176.268 CA :: 51.643 CB :: 42.446 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 :: 8.754 HA :: 4.996 HB2 :: 2.428 HB3 :: 2.625 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 :: 121.577 Ave N Shift Values>> N :: 120.65(3.86) 1.W104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> CA :: 60.033 CB :: 28.325 CD1 :: 125.647 CE3 :: 119.848 CZ2 :: 113.433 CZ3 :: 119.819 CH2 :: 123.940 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 :: 8.797 HA :: 3.676 HB2 :: 2.789 HB3 :: 2.998 HD1 :: 7.506 HE1 :: 9.232 HE3 :: 7.289 HZ2 :: 6.278 HZ3 :: 6.248 HH2 :: 5.135(S) 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 :: 125.397 NE1 :: 129.617 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.318 CA :: 60.491 CB :: 37.701 CG1 :: 27.257 CG2 :: 18.836 CD1 :: 12.084 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 :: 8.273 HA :: 4.010 HB :: 1.039 HG12 :: 1.434 HG13 :: 1.243 HG21 :: 0.753 HG22 :: 0.753 HG23 :: 0.753 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.531 Ave N Shift Values>> N :: 121.46(4.28) 1.C106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.14 H 0.13 R 0.12 Q 0.11 K 0.09 M 0.04 I 0.02 V 0.01 C Shift Assignments>> C :: 174.202 CA :: 57.840 CB :: 29.961 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.285 HA :: 4.628 HB2 :: 1.576 HB3 :: 2.293 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.664 Ave N Shift Values>> N :: 120.17(4.64) 1.R107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.44 C 0.34 K 0.16 G 0.04 C Shift Assignments>> C :: 174.678 CA :: 55.640 CB :: 30.220 CG :: 28.404 CD :: 43.059 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 :: 10.215 HA :: 4.416 HB2 :: 1.533 HB3 :: 1.776 HG2 :: 0.681(S) HG3 :: 1.469 HD2 :: 2.689 HD3 :: 2.816 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 :: 128.982 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.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.32 K 0.19 G 0.01 C Shift Assignments>> C :: 173.386 CA :: 54.518 CB :: 31.606 CG :: 26.722 CD :: 42.436 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 :: 7.945 HA :: 4.356 HB2 :: 1.802 HB3 :: 1.991 HG2 :: 1.743 HG3 :: 1.743 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 :: 120.916 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.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.26 E 0.23 C Shift Assignments>> C :: 176.634 CA :: 54.720 CB :: 32.356 CG :: 36.988 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 :: 7.671 HA :: 4.868 HB2 :: 1.977 HB3 :: 1.900 HG2 :: 2.385 HG3 :: 2.242 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 112.822 Ave N Shift Values>> N :: 120.67(3.48) 1.L110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.77 C 0.15 L 0.06 C Shift Assignments>> CA :: 51.287 CB :: 46.628 CG :: 25.701 CD1 :: 26.788 CD2 :: 25.107 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 :: 8.453 HA :: 4.853 HB2 :: 0.268(S) HB3 :: 1.320 HG :: 1.316 HD11 :: 0.139 HD12 :: 0.139 HD13 :: 0.139 HD21 :: 0.663 HD22 :: 0.663 HD23 :: 0.663 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 :: 119.458 Ave N Shift Values>> N :: 121.86(3.9) 1.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> CA :: 62.479 CB :: 32.473 CG :: 27.636 CD :: 51.168 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 :: 4.530 HB2 :: 2.161 HB3 :: 2.387 HG2 :: 2.119 HG3 :: 2.010 HD2 :: 3.687 HD3 :: 3.811 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.F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.26 N 0.14 F 0.1 M 0.1 I 0.02 K 0.02 D 0.02 C Shift Assignments>> CA :: 55.691 CB :: 36.917 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 :: 8.320 HB2 :: 3.005 HB3 :: 3.140 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 :: 120.576 Ave N Shift Values>> N :: 120.45(4.18) 1.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 177.026 CA :: 64.501 CB :: 67.918 CG2 :: 22.515 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>> HA :: 4.079 HB :: 4.259 HG21 :: 1.338 HG22 :: 1.338 HG23 :: 1.338 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) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.37 R 0.19 C Shift Assignments>> C :: 176.118 CA :: 56.535 CB :: 32.646 CG :: 25.492 CD :: 28.408 CE :: 42.068 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 :: 7.579 HA :: 4.454 HB2 :: 1.938 HB3 :: 1.938 HG2 :: 1.486 HG3 :: 1.604 HD2 :: 1.673 HD3 :: 1.741 HE2 :: 3.001 HE3 :: 3.001 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 :: 118.182 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.657 CA :: 57.480 CB :: 65.325 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.909 HA :: 4.188 HB2 :: 3.200 HB3 :: 4.086 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.236 Ave N Shift Values>> N :: 116.28(3.52) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.35 C 0.04 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 176.529 CA :: 55.042 CB :: 19.050 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.239 HA :: 4.195 HB1 :: 1.520 HB2 :: 1.520 HB3 :: 1.520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.683 Ave N Shift Values>> N :: 123.23(3.54) 1.H117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 C 0.31 W 0.28 C Shift Assignments>> C :: 175.092 CA :: 56.056 CB :: 29.834 CD2 :: 117.878 CE1 :: 138.684 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 :: 8.861 HA :: 4.528 HB2 :: 3.194 HB3 :: 2.848 HD2 :: 6.889 HE1 :: 7.915 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 :: 113.243 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.68 C 0.21 A 0.06 R 0.02 G 0.01 C Shift Assignments>> C :: 175.610 CA :: 53.847 CB :: 42.179 CG :: 25.713 CD1 :: 26.141 CD2 :: 23.210 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 :: 7.357 HA :: 4.412 HB2 :: 1.579 HB3 :: 0.998 HG :: 0.200(S) HD11 :: 0.520 HD12 :: 0.520 HD13 :: 0.520 HD21 :: 0.565 HD22 :: 0.565 HD23 :: 0.565 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.985 Ave N Shift Values>> N :: 121.86(3.9) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 172.534 CA :: 58.703 CB :: 70.248 CG2 :: 21.677 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 :: 8.111 HA :: 4.320 HB :: 3.607 HG21 :: 0.890 HG22 :: 0.890 HG23 :: 0.890 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.363 Ave N Shift Values>> N :: 115.42(4.75) 1.N120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 N 0.24 D 0.11 C 0.08 L 0.02 F 0.01 C Shift Assignments>> CA :: 48.289 CB :: 40.163 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 :: 8.156 HA :: 5.118 HB2 :: 2.377 HB3 :: 3.353 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.730 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 175.904 CA :: 63.989 CB :: 32.526 CG :: 27.129 CD :: 51.507 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 :: 3.151(S) HB2 :: 1.713 HB3 :: 2.255 HG2 :: 1.637 HG3 :: 1.898 HD2 :: 4.296 HD3 :: 3.685 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.W122 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 :: 174.991 CA :: 54.548 CB :: 27.724 CD1 :: 123.314 CE3 :: 119.583 CZ2 :: 114.731 CZ3 :: 121.725 CH2 :: 124.442 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 :: 7.018 HA :: 5.066 HB2 :: 2.979 HB3 :: 3.417 HD1 :: 6.760 HE1 :: 10.361 HE3 :: 7.009 HZ2 :: 7.677 HZ3 :: 7.093 HH2 :: 7.338 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 :: 114.797 NE1 :: 129.415 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 C 0.14 D 0.05 F 0.02 M 0.02 E 0.01 C Shift Assignments>> C :: 174.466 CA :: 51.313 CB :: 37.523 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.746 HA :: 5.193 HB2 :: 2.157 HB3 :: 3.187 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 :: 119.414 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.27 I 0.2 K 0.03 Q 0.01 L 0.01 C Shift Assignments>> C :: 174.775 CA :: 57.245 CB :: 27.522 CG :: 36.938 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 :: 8.640 HA :: 3.829 HB2 :: 1.971 HB3 :: 2.256 HG2 :: 2.145 HG3 :: 2.145 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 :: 113.846 Ave N Shift Values>> N :: 120.67(3.48) 1.H125 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 W 0.29 H 0.28 C Shift Assignments>> C :: 174.348 CA :: 58.844 CB :: 27.130 CD2 :: 118.426 CE1 :: 137.994 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 :: 7.338 HA :: 3.229 HB2 :: 3.232 HB3 :: 3.232 HD2 :: 6.900 HE1 :: 7.772 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 :: 108.193 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (HA > HB2 : 0.9926) (HA > HB3 : 0.9952) 1.K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 C 0.28 M 0.21 Q 0.15 R 0.05 C Shift Assignments>> CA :: 55.697 CB :: 31.936 CD :: 29.791 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 :: 7.445 HA :: 4.452 HB2 :: 1.669 HB3 :: 2.019 HD2 :: 1.563 HD3 :: 1.597 HE2 :: 2.874 HE3 :: 2.874 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 :: 118.919 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P127 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>> CA :: 63.510 CB :: 32.465 CD :: 50.285 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 :: 4.478 HB2 :: 1.636 HB3 :: 2.365 HD2 :: 3.567 HD3 :: 3.927 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.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 172.270 CA :: 63.669 CB :: 32.444 CG1 :: 20.705 CG2 :: 23.310 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 :: 8.191 HA :: 3.903 HB :: 1.489 HG11 :: 0.795 HG12 :: 0.795 HG13 :: 0.795 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.919 Ave N Shift Values>> N :: 121.14(4.54) 1.K129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 R 0.31 K 0.15 G 0.01 C Shift Assignments>> C :: 175.108 CA :: 57.277 CB :: 28.773 CG :: 24.299 CD :: 29.968 CE :: 42.188 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.177 HA :: 3.473 HB2 :: -0.349(S) HB3 :: 0.511(S) HG2 :: 0.540 HG3 :: 0.841 HD2 :: 1.148 HD3 :: 1.352 HE2 :: 2.681 HE3 :: 2.932 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.288 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.026 CA :: 61.678 CB :: 37.094 CG1 :: 27.869 CG2 :: 16.869 CD1 :: 13.855 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 :: 8.219 HA :: 3.707 HB :: 1.806 HG12 :: 0.882 HG13 :: 1.450 HG21 :: 0.720 HG22 :: 0.720 HG23 :: 0.720 HD11 :: 0.960 HD12 :: 0.960 HD13 :: 0.960 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 :: 121.770 Ave N Shift Values>> N :: 121.46(4.28) 1.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 C 0.03 C Shift Assignments>> C :: 172.130 CA :: 45.654 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.560 HA2 :: 3.840 HA3 :: 3.794 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.319 Ave N Shift Values>> N :: 109.67(3.87) 1.R132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.31 K 0.11 G 0.07 C Shift Assignments>> C :: 175.161 CA :: 54.102 CB :: 31.940 CG :: 26.489 CD :: 43.226 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 :: 8.633 HA :: 4.394 HB2 :: 1.669 HB3 :: 1.973 HG2 :: 1.459 HG3 :: 1.506 HD2 :: 2.872 HD3 :: 3.224 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 :: 123.835 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.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.29 G 0.16 C 0.07 F 0.07 D 0.04 K 0.01 HN Overlap>> 1.N24 1.N24 C Shift Assignments>> C :: 178.271 CA :: 56.800 CB :: 44.009 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 :: 9.024 HA :: 4.117 HB2 :: 2.617 HB3 :: 2.718 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.261 Ave N Shift Values>> N :: 120.65(3.86) 1.G134 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 :: 173.823 CA :: 45.333 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.769 HA2 :: 3.180 HA3 :: 4.243 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.424 Ave N Shift Values>> N :: 109.67(3.87) 1.Q135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.29 Q 0.27 C 0.24 M 0.11 R 0.05 E 0.01 C Shift Assignments>> C :: 174.972 CA :: 56.047 CB :: 29.422 CG :: 32.968 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 :: 8.226 HA :: 3.951 HB2 :: 2.508 HB3 :: 1.996 HG2 :: 1.996 HG3 :: 2.245 HE21 :: 6.696 HE22 :: 8.834(S) 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 :: 122.776 NE2 :: 117.270 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.25 F 0.18 I 0.07 N 0.07 M 0.06 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 177.101 CA :: 56.839 CG :: 37.352 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 :: 9.098 HA :: 4.449 HG2 :: 2.014 HG3 :: 2.280 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 :: 130.376 Ave N Shift Values>> N :: 120.67(3.48) 1.I137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 173.089 CA :: 60.178 CB :: 39.723 CG1 :: 26.363 CG2 :: 17.477 CD1 :: 14.117 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.444 HA :: 3.918 HB :: 1.108 HG12 :: 0.569 HG13 :: 1.435 HG21 :: 0.455 HG22 :: 0.455 HG23 :: 0.455 HD11 :: 0.477 HD12 :: 0.477 HD13 :: 0.477 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 :: 126.412 Ave N Shift Values>> N :: 121.46(4.28) 1.E138 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> E 0.26 C 0.26 Q 0.2 K 0.18 M 0.03 I 0.02 C Shift Assignments>> C :: 173.486 CA :: 57.090 CB :: 29.351 CG :: 35.159 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.121(S) HA :: 1.320(A) HB2 :: -0.135(A) HB3 :: 1.615 HG2 :: 1.515(S) HG3 :: 1.803 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 :: 129.557 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (HA > HB3 : 1.0000) (HA > HG2 : 1.0000) (HA > HG3 : 1.0000) 1.L139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 L 0.34 G 0.09 R 0.07 C Shift Assignments>> C :: 178.027 CA :: 59.850 CB :: 43.257 CG :: 26.901 CD1 :: 24.449 CD2 :: 25.574 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 :: 5.797(S) HA :: 3.889 HB2 :: 1.624 HB3 :: 1.986 HG :: 1.618 HD11 :: 1.181 HD12 :: 1.181 HD13 :: 1.181 HD21 :: 1.014 HD22 :: 1.014 HD23 :: 1.014 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 :: 123.598 Ave N Shift Values>> N :: 121.86(3.9) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.24 E 0.23 K 0.07 Q 0.04 C Shift Assignments>> C :: 178.236 CA :: 59.841 CB :: 28.316 CG :: 35.929 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 :: 8.935 HA :: 3.879 HB2 :: 2.066 HB3 :: 2.118 HG2 :: 2.250 HG3 :: 2.170 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 :: 123.325 Ave N Shift Values>> N :: 120.67(3.48) 1.C141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.25 P 0.2 K 0.05 R 0.02 V 0.02 W 0.01 C Shift Assignments>> C :: 175.782 CA :: 61.972 CB :: 25.537 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.172 HA :: 3.757 HB2 :: 2.561 HB3 :: 2.843 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.625 Ave N Shift Values>> N :: 120.17(4.64) 1.G142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.87 L 0.08 C 0.02 C Shift Assignments>> C :: 174.061 CA :: 45.594 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.561 HA2 :: 2.545(S) HA3 :: 1.661(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.717 Ave N Shift Values>> N :: 109.67(3.87) 1.T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.L148 1.L148 C Shift Assignments>> C :: 175.097 CA :: 67.528 CB :: 68.747 CG2 :: 20.144 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 :: 7.586 HA :: 3.298 HB :: 4.159 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 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 :: 118.467 Ave N Shift Values>> N :: 115.42(4.75) 1.Q144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.23 E 0.07 R 0.06 I 0.03 M 0.01 C Shift Assignments>> C :: 178.779 CA :: 58.612 CB :: 28.322 CG :: 34.055 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.846 HA :: 3.647 HB2 :: 1.922 HB3 :: 1.922 HG2 :: 2.355 HG3 :: 2.471 HE21 :: 7.409 HE22 :: 6.700 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 :: 117.225 NE2 :: 112.608 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.42 R 0.04 C Shift Assignments>> C :: 178.354 CA :: 57.801 CB :: 41.620 CG :: 26.822 CD1 :: 26.111 CD2 :: 22.871 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 :: 8.188 HA :: 3.643 HB2 :: 1.700 HB3 :: 1.035 HG :: 1.079 HD11 :: 0.236 HD12 :: 0.236 HD13 :: 0.236 HD21 :: 0.345 HD22 :: 0.345 HD23 :: 0.345 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.185 Ave N Shift Values>> N :: 121.86(3.9) 1.C146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.38 C 0.09 W 0.01 C Shift Assignments>> C :: 177.797 CA :: 64.202 CB :: 27.535 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.647 HA :: 3.681 HB2 :: 1.765 HB3 :: 2.567 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.095 Ave N Shift Values>> N :: 120.17(4.64) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.35 A 0.02 R 0.01 C Shift Assignments>> C :: 177.479 CA :: 56.568 CB :: 41.404 CG :: 26.558 CD1 :: 25.537 CD2 :: 22.414 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.649 HA :: 4.119 HB2 :: 1.530 HB3 :: 1.741 HG :: 1.774 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 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 :: 117.907 Ave N Shift Values>> N :: 121.86(3.9) 1.L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.34 G 0.19 R 0.09 A 0.03 HN Overlap>> 1.T143 1.T143 C Shift Assignments>> C :: 178.155 CA :: 55.649 CB :: 43.837 CG :: 25.808 CD1 :: 23.009 CD2 :: 26.542 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 :: 7.559 HA :: 4.210 HB2 :: 2.048 HB3 :: 1.298 HG :: 2.022 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.457 Ave N Shift Values>> N :: 121.86(3.9) 1.F149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 F 0.45 C Shift Assignments>> CA :: 58.019 CB :: 38.803 CD1 :: 133.793 CE1 :: 130.748 CZ :: 128.026 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 :: 7.297 HA :: 4.249 HB2 :: 3.273 HB3 :: 3.469 HD1 :: 7.694 HD2 :: 7.694 HE1 :: 6.973 HE2 :: 6.973 HZ :: 6.886 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 :: 117.017 Ave N Shift Values>> N :: 120.45(4.18) 1.P150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.6 P 0.39 C Shift Assignments>> CA :: 60.936 CB :: 30.646 CG :: 27.532 CD :: 50.259 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 :: 4.790 HB2 :: 2.393 HB3 :: 1.832 HG2 :: 2.096 HG3 :: 2.194 HD2 :: 3.555 HD3 :: 3.808 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.P151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.429 CA :: 62.386 CB :: 32.199 CG :: 27.503 CD :: 50.100 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 :: 4.487 HB2 :: 1.928 HB3 :: 2.322 HG2 :: 2.053 HG3 :: 2.053 HD2 :: 3.865 HD3 :: 3.624 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.D152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.2 K 0.19 R 0.13 F 0.08 C 0.05 N 0.02 C Shift Assignments>> C :: 176.583 CA :: 55.116 CB :: 42.236 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.708 HA :: 4.560 HB2 :: 2.575 HB3 :: 2.812 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.191 Ave N Shift Values>> N :: 120.65(3.86) 1.E153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.33 M 0.08 K 0.07 Q 0.05 I 0.02 C Shift Assignments>> C :: 176.304 CA :: 56.341 CB :: 30.082 CG :: 36.314 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 :: 8.590 HA :: 4.330 HB2 :: 1.932 HB3 :: 2.079 HG2 :: 2.242 HG3 :: 2.242 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 :: 120.236 Ave N Shift Values>> N :: 120.67(3.48) 1.S154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.292 CA :: 58.382 CB :: 63.744 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.297 HA :: 4.442 HB2 :: 3.853 HB3 :: 3.853 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 :: 116.795 Ave N Shift Values>> N :: 116.28(3.52) 1.I155 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 :: 175.043 CA :: 60.977 CB :: 38.957 CG1 :: 26.987 CG2 :: 17.506 CD1 :: 13.125 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 :: 8.053 HA :: 4.231 HB :: 1.890 HG12 :: 1.122 HG13 :: 1.346 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 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 :: 121.975 Ave N Shift Values>> N :: 121.46(4.28) 1.D156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.21 D 0.16 R 0.14 F 0.1 C 0.05 N 0.01 C Shift Assignments>> CA :: 55.766 CB :: 42.255 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 :: 7.884 HA :: 4.362 HB2 :: 2.526 HB3 :: 2.626 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 :: 129.025 Ave N Shift Values>> N :: 120.65(3.86) 2.6MZ3 Overall Status: Residue type 6MZ not supported. 2.U1 Overall Status: Residue type U not supported. 2.G2 Overall Status: Residue type G not supported. 2.C4 Overall Status: Residue type C not supported. 2.A5 Overall Status: Residue type A not supported. 2.C6 Overall Status: Residue type C not supported. ########################################################################### Overall Results: #Consistent: 132 #Clerical: 0 #Suspicious: 23 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 154 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 154 #Suspicious: 2 C Shift Results: #Consistent: 650 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1049 #Duplicate: 0 #Unknown: 0 #Suspicious: 38 #Anomalous: 2 N Shift Results: #Consistent: 154 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.I17 CD1 = 7.724(S), Expected = 13.43, Std = 1.6700, ChiSquare = 6.3370e-04 1.I17 HB = 0.451(S), Expected = 1.78, Std = 0.2900, ChiSquare = 4.5888e-06 1.K18 HD3 = 2.326(S), Expected = 1.60, Std = 0.2200, ChiSquare = 9.6685e-04 1.N24 HD21 = 10.077(S), Expected = 7.35, Std = 0.4800, ChiSquare = 1.3371e-08 1.A28 HB1 = 2.470(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.6497e-05 1.A28 HB2 = 2.470(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.6497e-05 1.A28 HB3 = 2.470(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.6497e-05 1.K29 HG3 = -1.152(S), Expected = 1.35, Std = 0.2800, ChiSquare = 4.0456e-19 1.K29 HE2 = 1.912(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.1251e-07 1.K29 HE3 = 1.912(S), Expected = 2.91, Std = 0.2000, ChiSquare = 6.0379e-07 1.W34 NE1 = 136.347(S), Expected = 129.32, Std = 2.1100, ChiSquare = 8.6743e-04 1.S35 H = 5.088(S), Expected = 8.28, Std = 0.5900, ChiSquare = 6.2965e-08 1.S35 HB2 = 2.619(S), Expected = 3.88, Std = 0.2500, ChiSquare = 4.5590e-07 1.L44 HD21 = -0.368(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5296e-04 1.L44 HD22 = -0.368(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5296e-04 1.L44 HD23 = -0.368(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5296e-04 1.F58 HE1 = 5.319(S), Expected = 7.08, Std = 0.3100, ChiSquare = 1.3419e-08 1.F58 HE2 = 5.319(S), Expected = 7.08, Std = 0.3200, ChiSquare = 3.7312e-08 1.G68 HA3 = 5.152(S), Expected = 3.90, Std = 0.3700, ChiSquare = 7.1494e-04 1.A70 HB1 = 0.080(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0363e-06 1.A70 HB2 = 0.080(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0363e-06 1.A70 HB3 = 0.080(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0363e-06 1.S76 HB2 = 2.072(S), Expected = 3.88, Std = 0.2500, ChiSquare = 4.7593e-13 1.S76 HB3 = 2.516(S), Expected = 3.85, Std = 0.2700, ChiSquare = 7.7826e-07 1.I83 HG21 = -0.673(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.0695e-08 1.I83 HG22 = -0.673(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.0695e-08 1.I83 HG23 = -0.673(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.0695e-08 1.W104 HH2 = 5.135(S), Expected = 6.98, Std = 0.3900, ChiSquare = 2.2367e-06 1.R107 HG2 = 0.681(S), Expected = 1.57, Std = 0.2700, ChiSquare = 9.9268e-04 1.L110 HB2 = 0.268(S), Expected = 1.61, Std = 0.3400, ChiSquare = 7.9117e-05 1.L118 HG = 0.200(S), Expected = 1.51, Std = 0.3300, ChiSquare = 7.1964e-05 1.P121 HA = 3.151(S), Expected = 4.40, Std = 0.3300, ChiSquare = 1.5380e-04 1.H125 SRO Rule Break>> HA > HB2 : 0.992622401073105 1.H125 SRO Rule Break>> HA > HB3 : 0.995208761122519 1.K129 HB2 = -0.349(S), Expected = 1.78, Std = 0.2500, ChiSquare = 1.6516e-17 1.K129 HB3 = 0.511(S), Expected = 1.74, Std = 0.2700, ChiSquare = 5.3176e-06 1.Q135 HE22 = 8.834(S), Expected = 7.02, Std = 0.4400, ChiSquare = 3.7441e-05 1.E138 H = 6.121(S), Expected = 8.33, Std = 0.5900, ChiSquare = 1.8106e-04 1.E138 HA = 1.320(A), Expected = 4.25, Std = 0.4100, ChiSquare = 8.9121e-13 1.E138 HB2 = -0.135(A), Expected = 2.02, Std = 0.2100, ChiSquare = 1.0462e-24 1.E138 HG2 = 1.515(S), Expected = 2.27, Std = 0.2100, ChiSquare = 3.2410e-04 1.E138 SRO Rule Break>> HA > HB3 : 1 1.E138 SRO Rule Break>> HA > HG2 : 1 1.E138 SRO Rule Break>> HA > HG3 : 1 1.L139 H = 5.797(S), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8178e-04 1.G142 HA2 = 2.545(S), Expected = 3.97, Std = 0.3700, ChiSquare = 1.1747e-04 1.G142 HA3 = 1.661(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.4364e-09