Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.31 Q 0.17 K 0.05 E 0.05 C Shift Assignments>> C :: 175.428 CA :: 55.186 CB :: 33.124 CG :: 31.868 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.244 HA :: 4.397 HB2 :: 1.984 HG2 :: 2.387 HG3 :: 2.441 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.680 Ave N Shift Values>> N :: 120.1(3.88) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 HN Overlap>> 1.L97 1.L97 C Shift Assignments>> C :: 177.624 CA :: 52.309 CB :: 19.480 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.255 HA :: 4.269 HB1 :: 1.356 HB2 :: 1.356 HB3 :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.239 Ave N Shift Values>> N :: 123.23(3.7) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.173 CA :: 58.243 CB :: 64.142 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.263 HA :: 4.441 HB2 :: 3.826 HB3 :: 3.785 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.923 Ave N Shift Values>> N :: 116.3(3.95) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 C 0.49 C Shift Assignments>> C :: 175.244 CA :: 60.412 CB :: 34.167 CG1 :: 19.730 CG2 :: 21.231 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.490 HA :: 4.356 HB :: 2.077 HG11 :: 0.768 HG12 :: 0.768 HG13 :: 0.768 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.611 Ave N Shift Values>> N :: 121.02(4.96) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.12 K 0.06 I 0.03 Q 0.03 C Shift Assignments>> C :: 176.063 CA :: 55.981 CB :: 30.491 CG :: 36.480 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.444 HA :: 4.160 HB2 :: 1.963 HB3 :: 2.114 HG2 :: 2.411 HG3 :: 2.366 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.898 Ave N Shift Values>> N :: 120.68(3.68) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.36 K 0.18 G 0.07 C Shift Assignments>> C :: 176.036 CA :: 57.231 CB :: 31.100 CG :: 28.923 CD :: 43.442 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.580 HA :: 4.436 HB2 :: 1.679 HB3 :: 1.776 HG2 :: 1.434 HD2 :: 3.161 HD3 :: 3.329 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.101 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.21 R 0.15 C 0.13 G 0.1 K 0.05 F 0.02 Y 0.02 C Shift Assignments>> C :: 176.251 CA :: 52.280 CB :: 43.042 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.851 HA :: 4.934 HB2 :: 2.423 HB3 :: 2.373 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.158 Ave N Shift Values>> N :: 120.73(4.2) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.27 K 0.14 Q 0.12 I 0.1 M 0.03 R 0.01 C Shift Assignments>> C :: 178.792 CA :: 59.267 CB :: 29.266 CG :: 35.192 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.193 HA :: 4.028 HB2 :: 2.031 HB3 :: 2.108 HG2 :: 2.403 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.257 Ave N Shift Values>> N :: 120.68(3.68) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.E15 1.E15 1.D72 1.D72 C Shift Assignments>> C :: 177.497 CA :: 66.606 CB :: 68.076 CG2 :: 21.985 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.167 HA :: 4.015 HB :: 4.301 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.229 Ave N Shift Values>> N :: 115.7(5.05) 1.R10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 R 0.22 G 0.21 K 0.06 C Shift Assignments>> C :: 178.790 CA :: 60.424 CB :: 29.482 CG :: 29.980 CD :: 43.649 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.524 HA :: 3.929 HB2 :: 1.010 HB3 :: 1.308 HG2 :: 1.677 HG3 :: 1.794 HD2 :: 3.225 HD3 :: 3.520 HE :: 9.053(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.364 NE :: 111.971 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.21 K 0.17 Q 0.15 I 0.1 R 0.02 M 0.01 C Shift Assignments>> C :: 178.872 CA :: 59.570 CB :: 28.692 CG :: 34.900 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.655 HA :: 4.103 HB2 :: 2.391 HB3 :: 2.021 HG2 :: 2.304 HG3 :: 2.811 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.770 Ave N Shift Values>> N :: 120.68(3.68) 1.H12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.43 C 0.31 H 0.25 C Shift Assignments>> C :: 178.549 CA :: 59.731 CB :: 28.981 CE1 :: 137.918 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.237 HA :: 4.452 HB2 :: 3.295 HB3 :: 3.412 HD2 :: 7.110 HE1 :: 8.070 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.314 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.15 K 0.05 C Shift Assignments>> C :: 178.225 CA :: 60.481 CB :: 30.380 CG :: 28.064 CD :: 43.636 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.653 HA :: 3.907 HB2 :: 1.933 HB3 :: 1.808 HG2 :: 1.489 HG3 :: 1.200 HD2 :: 3.264 HE :: 9.890(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.400 NE :: 116.051 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.063 CA :: 65.469 CB :: 38.749 CG1 :: 30.282 CG2 :: 18.730 CD1 :: 14.230 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.841 HA :: 3.346 HB :: 2.230 HG12 :: 1.347 HG21 :: 1.270 HG22 :: 1.270 HG23 :: 1.270 HD11 :: 1.600 HD12 :: 1.600 HD13 :: 1.600 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.260 Ave N Shift Values>> N :: 121.6(4.72) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.35 I 0.15 M 0.06 K 0.04 Q 0.02 HN Overlap>> 1.T9 1.T9 C Shift Assignments>> C :: 178.274 CA :: 59.512 CB :: 30.534 CG :: 36.230 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.249 HA :: 4.018 HB2 :: 2.060 HB3 :: 2.159 HG2 :: 2.296 HG3 :: 2.466 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.221 Ave N Shift Values>> N :: 120.68(3.68) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.636 CA :: 63.482 CB :: 70.739 CG2 :: 21.481 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.790 HA :: 4.255 HB :: 4.070 HG21 :: 1.026 HG22 :: 1.026 HG23 :: 1.026 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.300 Ave N Shift Values>> N :: 115.7(5.05) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 M 0.19 Q 0.03 I 0.02 K 0.02 C Shift Assignments>> C :: 176.284 CA :: 56.851 CB :: 31.622 CG :: 36.231 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.167 HA :: 4.556 HB2 :: 1.829 HB3 :: 2.013 HG2 :: 2.226 HG3 :: 2.111 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.627 Ave N Shift Values>> N :: 120.68(3.68) 1.I18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 176.122 CA :: 65.151 CB :: 37.687 CG1 :: 25.789 CG2 :: 14.007 CD1 :: 13.450 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.914 HA :: 3.464 HB :: 1.240 HG12 :: -1.151(S) HG13 :: 0.704 HG21 :: -0.931(S) HG22 :: -0.931(S) HG23 :: -0.931(S) HD11 :: -0.427(S) HD12 :: -0.427(S) HD13 :: -0.427(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.315 Ave N Shift Values>> N :: 121.6(4.72) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 175.960 CA :: 60.500 CB :: 37.267 CG1 :: 27.000 CG2 :: 19.233 CD1 :: 12.691 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.034 HA :: 4.162 HB :: 2.283 HG12 :: 1.193 HG13 :: 1.460 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 HD11 :: 1.025 HD12 :: 1.025 HD13 :: 1.025 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 112.877 Ave N Shift Values>> N :: 121.6(4.72) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 174.666 CA :: 63.090 CB :: 30.730 CG1 :: 19.888 CG2 :: 21.262 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.528 HA :: 3.716 HB :: 1.900 HG11 :: 0.741 HG12 :: 0.741 HG13 :: 0.741 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.700 Ave N Shift Values>> N :: 121.02(4.96) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 C 0.15 F 0.15 L 0.15 Y 0.14 K 0.07 I 0.01 C Shift Assignments>> C :: 174.993 CA :: 55.231 CB :: 40.300 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.657 HA :: 4.530 HB2 :: 2.727 HB3 :: 2.875 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.842 Ave N Shift Values>> N :: 120.73(4.2) 1.A22 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 0.02 C Shift Assignments>> C :: 177.913 CA :: 52.718 CB :: 20.000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.804 HA :: 4.414 HB1 :: 1.294 HB2 :: 1.294 HB3 :: 1.294 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.752 Ave N Shift Values>> N :: 123.23(3.7) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.29 M 0.19 I 0.02 Q 0.01 C Shift Assignments>> C :: 175.852 CA :: 57.178 CB :: 32.465 CG :: 36.497 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.075 HA :: 4.540 HB2 :: 2.004 HB3 :: 2.170 HG2 :: 2.248 HG3 :: 2.323 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.827 Ave N Shift Values>> N :: 120.68(3.68) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.2 R 0.17 C 0.11 K 0.08 G 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.712 CA :: 53.196 CB :: 42.927 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.819 HA :: 4.880 HB2 :: 2.854 HB3 :: 3.070 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.900 Ave N Shift Values>> N :: 120.73(4.2) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.39 R 0.11 M 0.02 G 0.02 C Shift Assignments>> C :: 179.420 CA :: 60.404 CB :: 33.055 CG :: 24.230 CD :: 29.809 CE :: 42.274 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.554 HA :: 4.388 HB2 :: 1.965 HG2 :: 1.619 HG3 :: 1.792 HD2 :: 1.832 HE2 :: 3.188 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.901 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.32 E 0.19 K 0.01 C Shift Assignments>> C :: 178.440 CA :: 60.481 CB :: 28.883 CG :: 37.411 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.476 HA :: 4.022 HB2 :: 2.062 HB3 :: 2.176 HG2 :: 2.299 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.507 Ave N Shift Values>> N :: 120.68(3.68) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.19 M 0.04 K 0.02 C Shift Assignments>> C :: 180.749 CA :: 59.226 CB :: 30.458 CG :: 36.942 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.355 HA :: 4.025 HB2 :: 2.100 HB3 :: 2.144 HG2 :: 2.784 HG3 :: 2.338 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.934 Ave N Shift Values>> N :: 120.68(3.68) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.37 G 0.18 K 0.05 C Shift Assignments>> C :: 176.854 CA :: 60.641 CB :: 30.855 CG :: 28.247 CD :: 43.758 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.516 HA :: 3.849 HB2 :: 2.078 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.048 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.52 A 0.37 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 179.907 CA :: 55.237 CB :: 18.730 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.476 HA :: 2.770(S) HB1 :: 0.970 HB2 :: 0.970 HB3 :: 0.970 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.913 Ave N Shift Values>> N :: 123.23(3.7) 1.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.4 A 0.15 C Shift Assignments>> C :: 178.551 CA :: 56.155 CB :: 33.383 CG :: 33.442 CE :: 19.484 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.271 HA :: 4.535 HB2 :: 2.542 HB3 :: 2.899 HG2 :: 2.010 HG3 :: 2.219 HE1 :: 1.672 HE2 :: 1.672 HE3 :: 1.672 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 114.806 Ave N Shift Values>> N :: 120.1(3.88) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 C 0.24 P 0.03 L 0.03 A 0.02 C Shift Assignments>> C :: 177.163 CA :: 47.481 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.319 HA2 :: 3.682 HA3 :: 3.967 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.726 Ave N Shift Values>> N :: 109.91(4.29) 1.W32 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Suspicious PRTL>> W 0.6 C 0.35 H 0.04 C Shift Assignments>> C :: 177.190 CA :: 61.731 CB :: 28.907 CD1 :: 125.465 CZ2 :: 114.564 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.165 HA :: 4.000 HB2 :: 3.052 HB3 :: 3.172 HD1 :: 6.769 HE1 :: 5.704(A) HZ2 :: 7.457 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.012 NE1 :: 119.222(S) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (HE1 > HD1 : 0.9930) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 177.426 CA :: 63.053 CB :: 39.630 CD1 :: 133.168 CE1 :: 117.762 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.768 HA :: 3.894 HB2 :: 3.131 HB3 :: 2.792 HD1 :: 6.288 HE1 :: 6.925 HH :: 7.541 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.069 Ave N Shift Values>> N :: 120.79(4.69) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.44 C Shift Assignments>> C :: 178.986 CA :: 62.123 CB :: 37.426 CD1 :: 133.700 CE1 :: 118.599 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.907 HA :: 4.308 HB2 :: 3.056 HB3 :: 3.298 HD1 :: 7.543 HE1 :: 6.943 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.926 Ave N Shift Values>> N :: 120.79(4.69) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 178.940 CA :: 61.500 CB :: 39.449 CD1 :: 133.250 CE1 :: 119.881 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.904 HA :: 4.433 HB2 :: 3.025 HB3 :: 3.180 HD1 :: 6.957 HE1 :: 6.804 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.383 Ave N Shift Values>> N :: 120.79(4.69) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.46 R 0.03 C Shift Assignments>> C :: 178.420 CA :: 58.452 CB :: 40.790 CG :: 27.295 CD1 :: 25.604 CD2 :: 22.460 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.863 HA :: 3.731 HB2 :: 1.974 HB3 :: 1.333 HG :: 2.334 HD11 :: 0.602 HD12 :: 0.602 HD13 :: 0.602 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.525 Ave N Shift Values>> N :: 121.98(4.07) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 K 0.18 L 0.17 C 0.12 F 0.11 Y 0.08 D 0.04 I 0.01 G 0.01 C Shift Assignments>> C :: 177.880 CA :: 57.750 CB :: 42.562 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.748 HA :: 4.392 HB2 :: 2.332 HB3 :: 2.578 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.187 Ave N Shift Values>> N :: 120.73(4.2) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.2 K 0.16 D 0.11 C 0.1 F 0.07 Y 0.05 G 0.01 C Shift Assignments>> C :: 178.078 CA :: 55.731 CB :: 42.564 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.777 HA :: 4.615 HB2 :: 2.616 HB3 :: 2.876 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.400 Ave N Shift Values>> N :: 120.73(4.2) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 174.913 CA :: 65.482 CB :: 69.373 CG2 :: 22.500 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.769 HA :: 3.849 HB :: 3.275 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.101 Ave N Shift Values>> N :: 115.7(5.05) 1.L40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 L 0.31 R 0.02 K 0.01 C Shift Assignments>> C :: 176.433 CA :: 55.981 CB :: 39.980 CG :: 26.480 CD1 :: 27.731 CD2 :: 25.980 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.100 HA :: 3.711 HB2 :: 0.217(S) HB3 :: 1.440 HG :: 0.854 HD11 :: 1.822(S) HD12 :: 1.822(S) HD13 :: 1.822(S) HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.025 Ave N Shift Values>> N :: 121.98(4.07) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.29 K 0.16 Q 0.09 I 0.02 M 0.02 C Shift Assignments>> C :: 174.815 CA :: 54.731 CB :: 28.595 CG :: 35.952 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.678 HA :: 4.372 HB2 :: 1.805 HB3 :: 1.957 HG2 :: 2.211 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.562 Ave N Shift Values>> N :: 120.68(3.68) 1.F42 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 Y 0.43 F 0.07 C Shift Assignments>> CA :: 56.624 CB :: 39.663 CD1 :: 134.638(A) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.666 HA :: 4.653 HB2 :: 3.012 HB3 :: 2.674 HD1 :: 7.137 HE1 :: 6.680 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.975 Ave N Shift Values>> N :: 120.69(4.18) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.94 P 0.03 A 0.01 C Shift Assignments>> C :: 175.597 CA :: 62.485 CB :: 35.981 CG :: 24.481 CD :: 50.511 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.510 HB2 :: 2.176 HB3 :: 2.362 HG2 :: 2.021 HG3 :: 1.981 HD2 :: 3.566 HD3 :: 3.799 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 C 0.36 F 0.22 C Shift Assignments>> C :: 173.193 CA :: 55.739 CB :: 41.600 CD1 :: 133.934 CE1 :: 130.194 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.017 HA :: 5.170 HB2 :: 3.262 HB3 :: 3.310 HD1 :: 7.185 HE1 :: 6.695 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.406 Ave N Shift Values>> N :: 120.69(4.18) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.32 A 0.21 C Shift Assignments>> C :: 176.003 CA :: 54.231 CB :: 33.300 CG :: 32.713 CE :: 16.691 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.441 HA :: 5.299 HB2 :: 2.241 HB3 :: 2.044 HG2 :: 2.648 HG3 :: 2.790 HE1 :: 2.060 HE2 :: 2.060 HE3 :: 2.060 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.145 Ave N Shift Values>> N :: 120.1(3.88) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 171.477 CA :: 45.283 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.208 HA2 :: 5.133 HA3 :: 3.383 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.238 Ave N Shift Values>> N :: 109.91(4.29) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.35 R 0.16 M 0.01 C Shift Assignments>> C :: 175.317 CA :: 54.482 CB :: 34.463 CG :: 24.975 CD :: 29.158 CE :: 42.000 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.096 HA :: 5.143 HB2 :: 1.706 HB3 :: 1.848 HG2 :: 1.391 HG3 :: 1.450 HD2 :: 1.591 HD3 :: 1.684 HE2 :: 2.884 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.280 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.46 HN Overlap>> 1.V65 1.V65 C Shift Assignments>> C :: 175.219 CA :: 54.190 CB :: 31.419 CD1 :: 124.934 CZ2 :: 114.590 CH2 :: 124.740 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.586 HA :: 5.455 HB2 :: 2.694 HB3 :: 3.417 HD1 :: 7.120 HE1 :: 10.922 HE3 :: 7.055 HZ2 :: 7.591 HZ3 :: 7.233 HH2 :: 6.989 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 127.960 NE1 :: 130.489 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.34 R 0.19 M 0.03 C Shift Assignments>> C :: 174.108 CA :: 55.482 CB :: 32.437 CG :: 25.167 CD :: 29.345 CE :: 42.000 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.747 HA :: 4.490 HB2 :: 1.600 HB3 :: 1.798 HG2 :: 1.284 HG3 :: 1.436 HD2 :: 1.654 HE2 :: 2.928 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 129.804 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.44 C 0.39 R 0.1 M 0.04 C Shift Assignments>> C :: 175.595 CA :: 55.492 CB :: 33.659 CG :: 24.050 CD :: 29.200 CE :: 41.977 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.927 HA :: 4.020 HB2 :: 0.683(S) HB3 :: 1.306 HG2 :: 0.791 HG3 :: 0.759 HD2 :: 0.914 HD3 :: 1.073 HE2 :: 2.556 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.670 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.2 M 0.03 G 0.01 C Shift Assignments>> C :: 176.445 CA :: 56.265 CB :: 33.276 CG :: 25.004 CD :: 29.362 CE :: 42.187 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.548 HA :: 4.364 HB2 :: 1.666 HB3 :: 1.762 HG2 :: 1.325 HD2 :: 1.644 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.300 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.571 CB :: 64.000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.484 HA :: 4.520 HB2 :: 3.889 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.076 Ave N Shift Values>> N :: 116.3(3.95) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 K 0.12 G 0.07 C Shift Assignments>> CA :: 57.709 CB :: 30.525 CG :: 27.616 CD :: 43.387 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.733 HA :: 4.265 HB2 :: 1.828 HB3 :: 1.901 HG2 :: 1.705 HD2 :: 3.237 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.866 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.35 R 0.22 M 0.03 G 0.01 C Shift Assignments>> C :: 177.195 CA :: 57.759 CB :: 33.192 CG :: 25.028 CD :: 29.981 CE :: 42.211 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.350 HA :: 4.279 HB2 :: 1.818 HB3 :: 1.882 HG2 :: 1.446 HG3 :: 1.383 HD2 :: 1.694 HE2 :: 3.020 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.087 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.652 CA :: 60.942 CB :: 70.190 CG2 :: 21.692 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.597 HA :: 4.509 HB :: 4.400 HG21 :: 1.154 HG22 :: 1.154 HG23 :: 1.154 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.436 Ave N Shift Values>> N :: 115.7(5.05) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.131 CA :: 59.128 CB :: 63.031 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.142 HA :: 4.343 HB2 :: 4.037 HB3 :: 3.989 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.301 Ave N Shift Values>> N :: 116.3(3.95) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 173.800 CA :: 61.732 CB :: 70.435 CG2 :: 21.762 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.770 HA :: 4.369 HB :: 4.091 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.200 Ave N Shift Values>> N :: 115.7(5.05) 1.I58 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 :: 175.705 CA :: 60.712 CB :: 38.980 CG1 :: 27.731 CG2 :: 17.730 CD1 :: 12.843 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.385 HA :: 4.248 HB :: 1.746 HG12 :: 1.051 HG13 :: 1.484 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 HD11 :: 0.781 HD12 :: 0.781 HD13 :: 0.781 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.645 Ave N Shift Values>> N :: 121.6(4.72) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.29 M 0.25 Q 0.03 K 0.02 C Shift Assignments>> C :: 174.618 CA :: 54.999 CB :: 31.761 CG :: 36.164 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.464 HA :: 4.435 HB2 :: 1.778 HB3 :: 1.868 HG2 :: 2.020 HG3 :: 2.127 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.510 Ave N Shift Values>> N :: 120.68(3.68) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.32 M 0.16 I 0.02 K 0.01 C Shift Assignments>> C :: 175.914 CA :: 55.481 CB :: 31.697 CG :: 37.142 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.525 HA :: 4.945 HB2 :: 1.874 HG2 :: 1.995 HG3 :: 2.110 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.162 Ave N Shift Values>> N :: 120.68(3.68) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.39 R 0.11 M 0.01 C Shift Assignments>> C :: 175.766 CA :: 54.948 CB :: 35.723 CG :: 24.481 CD :: 29.122 CE :: 41.700 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.718 HA :: 4.747 HB2 :: 1.946 HB3 :: 1.776 HG2 :: 1.409 HG3 :: 1.377 HD2 :: 1.554 HE2 :: 2.794 HE3 :: 2.844 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.113 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 HN Overlap>> 1.A83 1.A83 C Shift Assignments>> C :: 174.059 CA :: 63.429 CB :: 68.731 CG2 :: 22.147 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.927 HA :: 4.987 HB :: 4.122 HG21 :: 1.263 HG22 :: 1.263 HG23 :: 1.263 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.476 Ave N Shift Values>> N :: 115.7(5.05) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 I 0.12 A 0.02 V 0.01 C Shift Assignments>> C :: 173.601 CA :: 58.731 CB :: 36.501 CG1 :: 17.733 CG2 :: 22.429 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.258 HA :: 5.211 HB :: 2.069 HG11 :: 0.509 HG12 :: 0.509 HG13 :: 0.509 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.634 Ave N Shift Values>> N :: 121.02(4.96) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.3 M 0.21 I 0.01 Q 0.01 K 0.01 C Shift Assignments>> C :: 174.939 CA :: 55.428 CB :: 31.980 CG :: 36.730 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.963 HA :: 4.713 HB2 :: 1.715 HB3 :: 1.969 HG2 :: 1.977 HG3 :: 2.074 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.700 Ave N Shift Values>> N :: 120.68(3.68) 1.V65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.66 C 0.33 HN Overlap>> 1.W48 1.W48 C Shift Assignments>> C :: 175.868 CA :: 62.481 CB :: 29.500 CG1 :: 20.721 CG2 :: 22.231 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.600 HA :: 3.906 HB :: 0.792(S) HG11 :: 0.435 HG12 :: 0.435 HG13 :: 0.435 HG21 :: 0.594 HG22 :: 0.594 HG23 :: 0.594 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.053 Ave N Shift Values>> N :: 121.02(4.96) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.32 G 0.13 R 0.07 A 0.03 C Shift Assignments>> C :: 177.771 CA :: 56.365 CB :: 43.500 CG :: 26.036 CD1 :: 22.475 CD2 :: 25.878 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.736 HA :: 4.062 HB2 :: 1.367 HB3 :: 1.304 HG :: 0.709 HD11 :: 0.667 HD12 :: 0.667 HD13 :: 0.667 HD21 :: 0.706 HD22 :: 0.706 HD23 :: 0.706 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.356 Ave N Shift Values>> N :: 121.98(4.07) 1.G67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.33 L 0.27 G 0.14 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 172.135 CA :: 43.713 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.866 HA2 :: 1.193(S) HA3 :: 3.360 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.627 Ave N Shift Values>> N :: 109.91(4.29) 1.M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.32 A 0.23 C Shift Assignments>> C :: 178.833 CA :: 53.874 CB :: 30.684 CG :: 31.980 CE :: 16.441 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.137 HA :: 4.792 HB2 :: 1.725 HB3 :: 2.277 HG2 :: 1.997 HG3 :: 2.536 HE1 :: 1.792 HE2 :: 1.792 HE3 :: 1.792 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.047 Ave N Shift Values>> N :: 120.1(3.88) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.17 C 0.01 C Shift Assignments>> CA :: 51.252 CB :: 17.576 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.091 HA :: 4.370 HB1 :: 1.132 HB2 :: 1.132 HB3 :: 1.132 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.997 Ave N Shift Values>> N :: 123.23(3.7) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.103 CA :: 63.913 CB :: 32.200 CG :: 28.563 CD :: 50.192 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.325 HB2 :: 1.751 HB3 :: 2.427 HG2 :: 1.917 HG3 :: 2.091 HD2 :: 3.727 HD3 :: 3.341 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.28 F 0.23 C 0.23 I 0.1 E 0.05 D 0.04 L 0.02 C Shift Assignments>> C :: 177.743 CA :: 57.685 CB :: 38.712 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.478 HA :: 2.985(S) HB2 :: 1.736(S) HB3 :: 2.005 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.759 Ave N Shift Values>> N :: 120.73(4.2) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 C 0.17 F 0.17 Y 0.17 L 0.13 K 0.04 I 0.01 HN Overlap>> 1.T9 1.T9 C Shift Assignments>> C :: 177.647 CA :: 55.281 CB :: 39.981 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.104 HA :: 4.190 HB2 :: 2.589 HB3 :: 2.634 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.267 Ave N Shift Values>> N :: 120.73(4.2) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.08 M 0.08 I 0.05 Q 0.04 C Shift Assignments>> C :: 178.224 CA :: 56.476 CB :: 30.030 CG :: 36.377 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.851 HA :: 4.404 HB2 :: 1.941 HB3 :: 2.148 HG2 :: 2.123 HG3 :: 2.200 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.563 Ave N Shift Values>> N :: 120.68(3.68) 1.C74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.13 K 0.1 Q 0.1 R 0.1 H 0.1 I 0.07 M 0.02 V 0.02 C Shift Assignments>> C :: 172.135 CA :: 58.768 CB :: 29.484 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.556 HA :: 5.755 HB2 :: 2.701 HB3 :: 3.814 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.751 Ave N Shift Values>> N :: 119.95(4.79) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.33 R 0.12 A 0.01 G 0.01 C Shift Assignments>> C :: 178.128 CA :: 56.255 CB :: 41.986 CG :: 27.496 CD1 :: 23.257 CD2 :: 25.271 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.228 HA :: 4.112 HB2 :: 1.819 HB3 :: 1.515 HG :: 1.646 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.947 HD22 :: 0.947 HD23 :: 0.947 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.199 Ave N Shift Values>> N :: 121.98(4.07) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.35 R 0.24 G 0.01 M 0.01 C Shift Assignments>> C :: 176.141 CA :: 56.177 CB :: 34.730 CG :: 25.231 CD :: 29.208 CE :: 42.450 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.885 HA :: 4.899 HB2 :: 1.876 HB3 :: 2.101 HG2 :: 1.532 HD2 :: 1.780 HE2 :: 3.061 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.719 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.17 R 0.15 G 0.15 C 0.13 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 172.969 CA :: 52.303 CB :: 43.280 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.441 HA :: 4.773 HB2 :: 2.446 HB3 :: 2.697 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.755 Ave N Shift Values>> N :: 120.73(4.2) 1.M78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 M 0.31 A 0.15 K 0.01 C Shift Assignments>> C :: 175.628 CA :: 52.745 CB :: 34.896 CG :: 32.220 CE :: 22.692 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.890 HA :: 4.994 HB2 :: 0.687(S) HB3 :: 1.278 HG2 :: 0.961(S) HG3 :: 1.193 HE1 :: 2.158 HE2 :: 2.158 HE3 :: 2.158 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.194 Ave N Shift Values>> N :: 120.1(3.88) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.43 G 0.01 C Shift Assignments>> C :: 174.122 CA :: 57.018 CB :: 41.785 CD1 :: 133.700 CE1 :: 118.663 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.462 HA :: 5.269 HB2 :: 2.653 HB3 :: 2.700 HD1 :: 7.060 HE1 :: 6.922 HH :: 7.550 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.867 Ave N Shift Values>> N :: 120.79(4.69) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.08 V 0.05 A 0.03 C Shift Assignments>> C :: 174.379 CA :: 58.294 CB :: 34.612 CG1 :: 18.441 CG2 :: 24.057 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.325 HA :: 4.946 HB :: 2.069 HG11 :: 0.502 HG12 :: 0.502 HG13 :: 0.502 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 112.106 Ave N Shift Values>> N :: 121.02(4.96) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.37 M 0.13 K 0.03 I 0.02 Q 0.01 HN Overlap>> 1.A114 1.A114 C Shift Assignments>> C :: 176.013 CA :: 54.996 CB :: 30.712 CG :: 36.809 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.402 HA :: 4.877 HB2 :: 1.487 HB3 :: 1.578 HG2 :: 1.842 HG3 :: 1.929 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.666 Ave N Shift Values>> N :: 120.68(3.68) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.1 A 0.08 I 0.02 C Shift Assignments>> C :: 173.001 CA :: 57.435 CB :: 35.006 CG1 :: 19.480 CG2 :: 23.316 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.981 HA :: 5.410 HB :: 1.657 HG11 :: 0.081 HG12 :: 0.081 HG13 :: 0.081 HG21 :: 0.442 HG22 :: 0.442 HG23 :: 0.442 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.081 Ave N Shift Values>> N :: 121.02(4.96) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 A 0.26 C 0.23 M 0.08 K 0.03 P 0.01 HN Overlap>> 1.T62 1.T62 C Shift Assignments>> C :: 177.231 CA :: 50.213 CB :: 23.007 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.927 HA :: 5.039 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.476 Ave N Shift Values>> N :: 123.23(3.7) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.21 K 0.18 C 0.1 R 0.09 F 0.08 Y 0.06 C Shift Assignments>> C :: 177.647 CA :: 54.800 CB :: 41.856 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.931 HA :: 4.833 HB2 :: 2.645 HB3 :: 2.972 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.447 Ave N Shift Values>> N :: 120.73(4.2) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 177.615 CA :: 62.159 CB :: 37.783 CG1 :: 27.588 CG2 :: 17.927 CD1 :: 13.480 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.276 HA :: 4.234 HB :: 1.916 HG12 :: 1.262 HG13 :: 1.455 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.525 Ave N Shift Values>> N :: 121.6(4.72) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 175.244 CA :: 45.714 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.939 HA2 :: 4.041 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.099 Ave N Shift Values>> N :: 109.91(4.29) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.381 CA :: 45.402 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.049 HA2 :: 4.260 HA3 :: 3.926 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.252 Ave N Shift Values>> N :: 109.91(4.29) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 G 0.01 C Shift Assignments>> C :: 176.924 CA :: 56.597 CB :: 32.994 CG :: 24.800 CD :: 29.149 CE :: 42.233 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.602 HA :: 4.369 HB2 :: 1.792 HB3 :: 1.925 HG2 :: 1.443 HD2 :: 1.691 HE2 :: 3.022 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.434 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.22 K 0.17 C 0.11 F 0.09 Y 0.08 R 0.06 C Shift Assignments>> C :: 175.950 CA :: 55.010 CB :: 41.467 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.302 HA :: 4.582 HB2 :: 2.656 HB3 :: 2.775 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.781 Ave N Shift Values>> N :: 120.73(4.2) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.19 C 0.13 F 0.1 K 0.1 Y 0.09 R 0.01 HN Overlap>> 1.E111 1.E111 C Shift Assignments>> C :: 175.950 CA :: 54.150 CB :: 40.798 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.321 HA :: 4.643 HB2 :: 2.702 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.800 Ave N Shift Values>> N :: 120.73(4.2) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.23 K 0.16 C 0.11 F 0.08 Y 0.06 R 0.06 C Shift Assignments>> C :: 174.789 CA :: 54.472 CB :: 41.560 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.938 HA :: 4.608 HB2 :: 2.526 HB3 :: 2.619 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.003 Ave N Shift Values>> N :: 120.73(4.2) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 175.595 CA :: 61.006 CB :: 34.119 CG1 :: 20.899 CG2 :: 21.441 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.688 HA :: 4.607 HB :: 1.766 HG11 :: 0.752 HG12 :: 0.752 HG13 :: 0.752 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.510 Ave N Shift Values>> N :: 121.02(4.96) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 174.477 CA :: 56.230 CB :: 41.250 CD1 :: 133.710 CE1 :: 118.300 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.186 HA :: 4.902 HB2 :: 2.569 HB3 :: 3.159 HD1 :: 7.138 HE1 :: 6.811 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.611 Ave N Shift Values>> N :: 120.79(4.69) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.445 CA :: 61.820 CB :: 69.855 CG2 :: 22.753 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.423 HA :: 5.023 HB :: 3.950 HG21 :: 1.061 HG22 :: 1.061 HG23 :: 1.061 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.049 Ave N Shift Values>> N :: 115.7(5.05) 1.A95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.6 L 0.14 C 0.13 M 0.09 C Shift Assignments>> C :: 176.674 CA :: 50.109 CB :: 21.940 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.182 HA :: 4.742 HB1 :: 0.347(S) HB2 :: 0.347(S) HB3 :: 0.347(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.416 Ave N Shift Values>> N :: 123.23(3.7) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.33 K 0.27 G 0.01 M 0.01 C Shift Assignments>> C :: 178.514 CA :: 57.566 CB :: 32.444 CG :: 26.717 CD :: 29.628 CE :: 42.352 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.286 HA :: 3.988 HB2 :: 1.769 HB3 :: 1.945 HG2 :: 1.056 HG3 :: 1.559 HD2 :: 1.746 HE2 :: 3.056 HE3 :: 3.129 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.397 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 R 0.24 L 0.2 A 0.02 G 0.01 HN Overlap>> 1.A2 1.A2 C Shift Assignments>> C :: 177.319 CA :: 57.528 CB :: 41.959 CG :: 27.192 CD1 :: 21.854 CD2 :: 27.192 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.259 HA :: 4.028 HB2 :: 1.040 HB3 :: 1.596 HG :: 0.709 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 HD21 :: 1.785(S) HD22 :: 1.785(S) HD23 :: 1.785(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.239 Ave N Shift Values>> N :: 121.98(4.07) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.858 CA :: 60.222 CB :: 62.821 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.605 HA :: 4.221 HB2 :: 3.712 HB3 :: 4.118 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 109.075 Ave N Shift Values>> N :: 116.3(3.95) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.22 K 0.18 C 0.1 R 0.08 F 0.08 Y 0.06 C Shift Assignments>> C :: 174.448 CA :: 54.767 CB :: 41.760 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.780 HA :: 5.146 HB2 :: 3.001 HB3 :: 3.609 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.846 Ave N Shift Values>> N :: 120.73(4.2) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.46 A 0.01 C Shift Assignments>> C :: 175.405 CA :: 58.250 CB :: 38.692 CG1 :: 26.757 CG2 :: 17.096 CD1 :: 11.177 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.734 HA :: 5.070 HB :: 2.325 HG12 :: 1.167 HG13 :: 1.406 HG21 :: 0.709 HG22 :: 0.709 HG23 :: 0.709 HD11 :: 0.323 HD12 :: 0.323 HD13 :: 0.323 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.713 Ave N Shift Values>> N :: 121.6(4.72) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.26 E 0.26 Q 0.03 K 0.01 C Shift Assignments>> C :: 175.610 CA :: 54.305 CB :: 31.723 CG :: 36.162 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.006 HA :: 4.745 HB2 :: 1.964 HB3 :: 2.080 HG2 :: 2.154 HG3 :: 2.309 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 128.212 Ave N Shift Values>> N :: 120.68(3.68) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.21 L 0.09 C 0.06 C Shift Assignments>> C :: 177.079 CA :: 52.733 CB :: 20.886 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.114 HA :: 4.562 HB1 :: 1.166 HB2 :: 1.166 HB3 :: 1.166 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.836 Ave N Shift Values>> N :: 123.23(3.7) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.29 C Shift Assignments>> C :: 174.278 CA :: 60.697 CB :: 40.322 CG1 :: 27.162 CG2 :: 17.321 CD1 :: 13.555 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.659 HA :: 4.240 HB :: 1.586 HG12 :: 1.081 HG13 :: 1.551 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.693 Ave N Shift Values>> N :: 121.6(4.72) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 C 0.2 Y 0.19 F 0.18 L 0.09 I 0.02 E 0.01 K 0.01 C Shift Assignments>> C :: 175.098 CA :: 55.264 CB :: 39.442 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.671 HA :: 4.364 HB2 :: 2.649 HB3 :: 2.962 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.341 Ave N Shift Values>> N :: 120.73(4.2) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.16 I 0.05 A 0.01 C Shift Assignments>> C :: 176.055 CA :: 59.269 CB :: 34.500 CG1 :: 18.691 CG2 :: 23.171 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.573 HA :: 4.718 HB :: 1.958 HG11 :: 0.577 HG12 :: 0.577 HG13 :: 0.577 HG21 :: 0.643 HG22 :: 0.643 HG23 :: 0.643 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 109.826 Ave N Shift Values>> N :: 121.02(4.96) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.26 K 0.13 C 0.11 R 0.09 F 0.05 Y 0.04 G 0.01 C Shift Assignments>> C :: 175.595 CA :: 53.266 CB :: 42.056 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.226 HA :: 4.602 HB2 :: 2.757 HB3 :: 2.975 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.268 Ave N Shift Values>> N :: 120.73(4.2) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 C 0.15 K 0.14 L 0.1 D 0.06 I 0.06 R 0.02 C Shift Assignments>> C :: 178.106 CA :: 57.937 CB :: 40.819 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.534 HA :: 4.246 HB2 :: 2.598 HB3 :: 2.706 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.703 Ave N Shift Values>> N :: 120.73(4.2) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 C 0.18 D 0.08 I 0.07 L 0.07 K 0.04 C Shift Assignments>> C :: 178.626 CA :: 57.670 CB :: 39.998 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.240 HA :: 4.356 HB2 :: 2.517 HB3 :: 2.780 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.529 Ave N Shift Values>> N :: 120.73(4.2) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.444 CA :: 67.292 CB :: 68.150 CG2 :: 21.480 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.951 HA :: 3.595 HB :: 3.864 HG21 :: 0.474 HG22 :: 0.474 HG23 :: 0.474 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.665 Ave N Shift Values>> N :: 115.7(5.05) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.23 Q 0.23 E 0.12 R 0.05 M 0.03 I 0.03 C Shift Assignments>> C :: 178.669 CA :: 59.158 CB :: 28.989 CG :: 33.800 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.847 HA :: 3.740 HB2 :: 1.986 HB3 :: 2.084 HG2 :: 2.337 HG3 :: 2.288 HE21 :: 7.346 HE22 :: 6.772 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.103 NE2 :: 111.972 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.13 K 0.06 M 0.05 Q 0.02 HN Overlap>> 1.D90 1.D90 C Shift Assignments>> C :: 177.370 CA :: 58.712 CB :: 30.186 CG :: 36.370 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.278 HA :: 4.298 HB2 :: 2.106 HG2 :: 2.268 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.837 Ave N Shift Values>> N :: 120.68(3.68) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.03 C 0.03 V 0.01 C Shift Assignments>> C :: 179.973 CA :: 55.223 CB :: 18.483 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.621 HA :: 4.611 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.975 Ave N Shift Values>> N :: 123.23(3.7) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> C :: 178.093 CA :: 66.758 CB :: 38.312 CG1 :: 30.510 CG2 :: 17.291 CD1 :: 13.926 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.722 HA :: 3.710 HB :: 1.858 HG12 :: 2.018 HG13 :: 0.798 HG21 :: 1.054 HG22 :: 1.054 HG23 :: 1.054 HD11 :: 0.650 HD12 :: 0.650 HD13 :: 0.650 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.408 Ave N Shift Values>> N :: 121.6(4.72) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.29 I 0.05 C 0.03 HN Overlap>> 1.E81 1.E81 C Shift Assignments>> C :: 181.372 CA :: 55.490 CB :: 17.938 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.383 HA :: 4.170 HB1 :: 1.586 HB2 :: 1.586 HB3 :: 1.586 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.716 Ave N Shift Values>> N :: 123.23(3.7) 1.D115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.18 I 0.14 L 0.04 D 0.03 K 0.02 C Shift Assignments>> C :: 177.746 CA :: 58.814 CB :: 39.869 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.061 HA :: 4.750 HB2 :: 2.971 HB3 :: 3.678(S) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.527 Ave N Shift Values>> N :: 120.73(4.2) 1.W116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 W 0.41 H 0.05 C Shift Assignments>> C :: 176.870 CA :: 58.824 CB :: 30.000 CD1 :: 123.340 CZ2 :: 114.399 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.146 HA :: 4.577 HB2 :: 3.430 HB3 :: 3.569 HD1 :: 6.562 HE1 :: 10.193 HZ2 :: 7.944 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 124.125 NE1 :: 126.472 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.42 R 0.04 C Shift Assignments>> C :: 180.484 CA :: 57.886 CB :: 40.929 CG :: 27.192 CD1 :: 25.580 CD2 :: 22.404 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.800 HA :: 3.700 HB2 :: 1.951 HB3 :: 1.507 HG :: 2.085 HD11 :: 1.012 HD12 :: 1.012 HD13 :: 1.012 HD21 :: 0.920 HD22 :: 0.920 HD23 :: 0.920 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.465 Ave N Shift Values>> N :: 121.98(4.07) 1.Y118 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 C 0.35 F 0.2 HN Overlap>> 1.W119 1.W119 C Shift Assignments>> C :: 180.408(A) CA :: 61.614 CB :: 38.729 CD1 :: 133.696 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.447 HA :: 4.200 HB2 :: 3.580 HB3 :: 3.175 HD1 :: 7.215 HE1 :: 7.149 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.412 Ave N Shift Values>> N :: 120.79(4.69) 1.W119 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.67 H 0.24 W 0.08 HN Overlap>> 1.Y118 1.Y118 C Shift Assignments>> C :: 177.363 CA :: 61.103 CB :: 28.245 CD1 :: 130.778(A) CZ2 :: 114.666 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.435 HA :: 3.837 HB2 :: 3.477 HB3 :: 3.532 HD1 :: 5.790(A) HE1 :: 9.607 HZ2 :: 7.112 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.400 NE1 :: 132.589 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.42 R 0.08 A 0.04 G 0.01 C Shift Assignments>> C :: 181.845 CA :: 56.725 CB :: 42.005 CG :: 26.225 CD1 :: 22.041 CD2 :: 26.151 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.557 HA :: 3.638 HB2 :: 1.052 HB3 :: 1.490 HD11 :: 0.508 HD12 :: 0.508 HD13 :: 0.508 HD21 :: 0.487 HD22 :: 0.487 HD23 :: 0.487 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.020 Ave N Shift Values>> N :: 121.98(4.07) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.45 C 0.03 I 0.01 C Shift Assignments>> C :: 180.073 CA :: 54.612 CB :: 18.709 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.418 HA :: 3.911 HB1 :: 1.389 HB2 :: 1.389 HB3 :: 1.389 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.944 Ave N Shift Values>> N :: 123.23(3.7) 1.R122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.58 C 0.27 K 0.13 HN Overlap>> 1.K125 1.K125 C Shift Assignments>> C :: 176.350 CA :: 54.089 CB :: 26.274 CG :: 24.738 CD :: 40.607 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.778 HA :: 3.521 HB2 :: 0.391(S) HB3 :: 0.496(S) HG2 :: 0.323(S) HG3 :: 0.592(S) HD2 :: 2.685 HE :: 6.219 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.239 NE :: 113.785 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 174.790 CA :: 45.000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.446 HA2 :: 3.431 HA3 :: 3.730 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.810 Ave N Shift Values>> N :: 109.91(4.29) 1.Y124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.62 H 0.29 Y 0.07 W 0.01 C Shift Assignments>> C :: 174.242 CA :: 54.472 CB :: 33.616 CD1 :: 132.106 CE1 :: 116.699 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.555 HA :: 4.224 HB2 :: 0.621(S) HB3 :: 0.961(S) HD1 :: 6.650 HE1 :: 6.796 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.128 Ave N Shift Values>> N :: 120.79(4.69) 1.K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.32 R 0.12 G 0.03 M 0.02 A 0.01 HN Overlap>> 1.R122 1.R122 C Shift Assignments>> C :: 176.542 CA :: 53.851 CB :: 35.966 CG :: 24.003 CD :: 29.000 CE :: 42.380 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.841 HA :: 4.677 HB2 :: 1.629 HB3 :: 1.839 HG2 :: 1.350 HD2 :: 1.637 HE2 :: 2.959 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.321 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 C 0.32 F 0.3 C Shift Assignments>> CA :: 59.898 CB :: 37.555 CD1 :: 131.365 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.064 HA :: 4.746 HB2 :: 3.981 HB3 :: 3.132 HD1 :: 7.475 HE1 :: 7.096 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 127.826 Ave N Shift Values>> N :: 120.69(4.18) 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 107 #Clerical: 0 #Suspicious: 15 #Anomalous: 4 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 126 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 125 #Suspicious: 1 C Shift Results: #Consistent: 535 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 3 H Shift Results: #Consistent: 783 #Duplicate: 0 #Unknown: 0 #Suspicious: 34 #Anomalous: 2 N Shift Results: #Consistent: 131 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.R10 HE = 9.053(S), Expected = 7.32, Std = 0.5200, ChiSquare = 8.6010e-04 1.R13 HE = 9.890(S), Expected = 7.32, Std = 0.5200, ChiSquare = 7.7203e-07 1.I18 HG12 = -1.151(S), Expected = 1.30, Std = 0.4000, ChiSquare = 8.9271e-10 1.I18 HG21 = -0.931(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.3876e-09 1.I18 HG22 = -0.931(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.3876e-09 1.I18 HG23 = -0.931(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.3876e-09 1.I18 HD11 = -0.427(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.7219e-04 1.I18 HD12 = -0.427(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.7219e-04 1.I18 HD13 = -0.427(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.7219e-04 1.A29 HA = 2.770(S), Expected = 4.26, Std = 0.4200, ChiSquare = 3.8873e-04 1.W32 HE1 = 5.704(A), Expected = 10.13, Std = 0.5300, ChiSquare = 6.7720e-17 1.W32 NE1 = 119.222(S), Expected = 129.48, Std = 2.5600, ChiSquare = 6.1487e-05 1.W32 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.L40 HB2 = 0.217(S), Expected = 1.63, Std = 0.3400, ChiSquare = 3.2403e-05 1.L40 HD11 = 1.822(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.7675e-05 1.L40 HD12 = 1.822(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.7675e-05 1.L40 HD13 = 1.822(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.7675e-05 1.F42 CD1 = 134.638(A), Expected = 131.38, Std = 1.3800, ChiSquare = 1.8232e-02 1.K50 HB2 = 0.683(S), Expected = 1.79, Std = 0.2500, ChiSquare = 9.5111e-06 1.V65 HB = 0.792(S), Expected = 1.99, Std = 0.3300, ChiSquare = 2.8309e-04 1.G67 HA2 = 1.193(S), Expected = 3.95, Std = 0.4000, ChiSquare = 5.4820e-12 1.D71 HA = 2.985(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.5890e-07 1.D71 HB2 = 1.736(S), Expected = 2.74, Std = 0.2900, ChiSquare = 5.3604e-04 1.M78 HB2 = 0.687(S), Expected = 2.03, Std = 0.3800, ChiSquare = 4.0900e-04 1.M78 HG2 = 0.961(S), Expected = 2.44, Std = 0.3600, ChiSquare = 3.9852e-05 1.A95 HB1 = 0.347(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.5962e-05 1.A95 HB2 = 0.347(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.5962e-05 1.A95 HB3 = 0.347(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.5962e-05 1.L97 HD21 = 1.785(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.5151e-04 1.L97 HD22 = 1.785(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.5151e-04 1.L97 HD23 = 1.785(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.5151e-04 1.D115 HB3 = 3.678(S), Expected = 2.70, Std = 0.2900, ChiSquare = 7.4512e-04 1.Y118 C = 180.408(A), Expected = 175.39, Std = 1.8900, ChiSquare = 7.9302e-03 1.W119 CD1 = 130.778(A), Expected = 126.16, Std = 1.7600, ChiSquare = 8.6939e-03 1.W119 HD1 = 5.790(A), Expected = 7.16, Std = 0.3400, ChiSquare = 5.5917e-05 1.R122 HB2 = 0.391(S), Expected = 1.79, Std = 0.2800, ChiSquare = 5.8402e-07 1.R122 HB3 = 0.496(S), Expected = 1.78, Std = 0.2800, ChiSquare = 4.5244e-06 1.R122 HG2 = 0.323(S), Expected = 1.58, Std = 0.2700, ChiSquare = 3.2311e-06 1.R122 HG3 = 0.592(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.5295e-04 1.Y124 HB2 = 0.621(S), Expected = 2.91, Std = 0.3700, ChiSquare = 6.1520e-10 1.Y124 HB3 = 0.961(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.3824e-07