Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.L1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.53 C 0.23 G 0.1 R 0.07 A 0.05 C Shift Assignments>> C :: 172.970 CA :: 54.077 CB :: 43.239 CG :: 26.358 CD1 :: 23.120 CD2 :: 26.074 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>> HA :: 3.831 HB2 :: 1.316 HB3 :: 1.718 HG :: 1.687 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 HD21 :: 0.918 HD22 :: 0.918 HD23 :: 0.918 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) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.13 C 0.03 L 0.02 C Shift Assignments>> C :: 176.961 CA :: 51.462 CB :: 20.295 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.335 HA :: 4.790 HB1 :: 1.622 HB2 :: 1.622 HB3 :: 1.622 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.175 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 :: 173.554 CA :: 59.675 CB :: 63.870 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.776 HA :: 4.508 HB2 :: 3.984 HB3 :: 3.984 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 :: 115.952 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 0.62 C 0.37 HN Overlap>> 1.F185 1.F185 C Shift Assignments>> C :: 174.539 CA :: 61.162 CB :: 34.195 CG1 :: 21.674 CG2 :: 21.266 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 :: 7.655 HA :: 4.201 HB :: 1.924 HG11 :: 0.740 HG12 :: 0.740 HG13 :: 0.740 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 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 :: 120.040 Ave N Shift Values>> N :: 121.02(4.96) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.47 M 0.01 C Shift Assignments>> CA :: 59.368 CB :: 38.636 CG1 :: 29.655 CG2 :: 18.630 CD1 :: 15.088 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 :: 9.241 HA :: 4.066 HB :: 1.872 HG12 :: 0.193 HG13 :: 1.319 HG21 :: 0.798 HG22 :: 0.798 HG23 :: 0.798 HD11 :: 0.701 HD12 :: 0.701 HD13 :: 0.701 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 :: 132.438 Ave N Shift Values>> N :: 121.6(4.72) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.86 P 0.1 S 0.03 C Shift Assignments>> C :: 175.378 CA :: 65.666 CB :: 32.792 CG :: 27.730 CD :: 52.974 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 :: 4.298 HB2 :: 2.091 HB3 :: 2.486 HG2 :: 2.093 HG3 :: 2.328 HD2 :: 3.607 HD3 :: 4.017 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.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 C 0.11 K 0.09 R 0.08 N 0.08 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 175.906 CA :: 52.545 CB :: 42.201 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 :: 7.137 HA :: 5.254 HB2 :: 3.163 HB3 :: 3.258 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 :: 110.770 Ave N Shift Values>> N :: 120.73(4.2) 1.V8 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 :: 176.821 CA :: 64.881 CB :: 32.043 CG1 :: 20.897 CG2 :: 22.906 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 :: 8.743 HA :: 3.542 HB :: 2.073 HG11 :: 0.948 HG12 :: 0.948 HG13 :: 0.948 HG21 :: 1.052 HG22 :: 1.052 HG23 :: 1.052 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 :: 119.477 Ave N Shift Values>> N :: 121.02(4.96) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.27 I 0.05 C 0.02 C Shift Assignments>> C :: 181.531 CA :: 55.496 CB :: 17.632 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.262 HA :: 4.159 HB1 :: 1.456 HB2 :: 1.456 HB3 :: 1.456 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.462 Ave N Shift Values>> N :: 123.23(3.7) 1.T10 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 :: 176.009 CA :: 67.063 CB :: 67.325 CG2 :: 20.979 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 :: 8.849 HA :: 3.970 HB :: 3.978 HG21 :: 1.262 HG22 :: 1.262 HG23 :: 1.262 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 :: 117.499 Ave N Shift Values>> N :: 115.7(5.05) 1.L11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.55 C 0.42 R 0.01 HN Overlap>> 1.A85 1.A85 C Shift Assignments>> C :: 177.285 CA :: 59.085 CB :: 41.049 CG :: 26.374 CD1 :: 24.715 CD2 :: 23.814 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 :: 7.564 HA :: 3.793 HB2 :: 0.868 HB3 :: 2.060 HG :: 1.223 HD11 :: -0.148(S) HD12 :: -0.148(S) HD13 :: -0.148(S) HD21 :: 0.587 HD22 :: 0.587 HD23 :: 0.587 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 :: 124.150 Ave N Shift Values>> N :: 121.98(4.07) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 N 0.31 D 0.05 C Shift Assignments>> C :: 178.166 CA :: 55.846 CB :: 37.413 CG :: 175.312 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.624 HA :: 4.420 HB2 :: 2.857 HB3 :: 2.857 HD21 :: 6.651 HD22 :: 7.504 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.074 ND2 :: 110.255 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.090 CA :: 61.284 CB :: 62.847 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.160 HA :: 4.444 HB2 :: 4.172 HB3 :: 4.227 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 :: 116.944 Ave N Shift Values>> N :: 116.3(3.95) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.42 R 0.09 C Shift Assignments>> C :: 178.782 CA :: 58.116 CB :: 41.243 CG :: 26.451 CD1 :: 27.111 CD2 :: 22.708 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 :: 8.582 HA :: 4.033 HB2 :: 1.158 HB3 :: 2.096 HG :: 1.989 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 HD21 :: 0.939 HD22 :: 0.939 HD23 :: 0.939 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 :: 122.439 Ave N Shift Values>> N :: 121.98(4.07) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.78 C 0.21 C Shift Assignments>> C :: 176.572 CA :: 63.427 CB :: 39.072 CD1 :: 131.508 CD2 :: 131.508 CE1 :: 131.476 CE2 :: 131.476 CZ :: 129.626 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 :: 8.752 HA :: 3.793 HB2 :: 2.852 HB3 :: 3.481 HD1 :: 7.090 HD2 :: 7.090 HE1 :: 7.280 HE2 :: 7.280 HZ :: 7.084 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 :: 119.325 Ave N Shift Values>> N :: 120.69(4.18) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 N 0.29 D 0.14 C Shift Assignments>> C :: 177.349 CA :: 56.613 CB :: 38.264 CG :: 176.293 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.244 HA :: 4.339 HB2 :: 2.931 HB3 :: 3.052 HD21 :: 7.074 HD22 :: 7.672 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.423 ND2 :: 112.661 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.34 Q 0.21 C Shift Assignments>> C :: 179.540 CA :: 59.907 CB :: 29.542 CG :: 35.208 CD :: 179.987 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 :: 8.390 HA :: 4.048 HB2 :: 2.183 HB3 :: 2.254 HG2 :: 2.399 HG3 :: 2.736 HE21 :: 7.008 HE22 :: 7.046 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 :: 119.177 NE2 :: 110.537 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 177.980 CA :: 65.899 CB :: 37.798 CG1 :: 30.892 CG2 :: 18.987 CD1 :: 14.509 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 :: 7.985 HA :: 3.640 HB :: 1.861 HG12 :: 0.860 HG13 :: 1.960 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 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 :: 119.371 Ave N Shift Values>> N :: 121.6(4.72) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.18 M 0.01 C Shift Assignments>> C :: 180.547 CA :: 59.899 CB :: 31.099 CG :: 24.922 CD :: 29.171 CE :: 41.671 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 :: 8.498 HA :: 3.626 HB2 :: 1.481 HB3 :: 1.818 HG2 :: 1.265 HG3 :: 1.265 HD2 :: 1.734 HD3 :: 1.734 HE2 :: 3.122 HE3 :: 3.122 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 :: 120.221 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.32 D 0.11 C Shift Assignments>> C :: 175.925 CA :: 54.047 CB :: 37.945 CG :: 175.840 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.462 HA :: 4.676 HB2 :: 2.870 HB3 :: 3.027 HD21 :: 6.839 HD22 :: 7.594 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.888 ND2 :: 108.498 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 Q 0.41 E 0.01 C Shift Assignments>> C :: 175.516 CA :: 54.271 CB :: 26.989 CG :: 32.447 CD :: 179.816 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 :: 7.614 HA :: 4.496 HB2 :: 1.994 HB3 :: 2.922 HG2 :: 2.459 HG3 :: 2.709 HE21 :: 7.173 HE22 :: 8.004 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 :: 115.289 NE2 :: 115.123 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.919 CA :: 59.467 CB :: 63.816 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.855 HA :: 4.927 HB2 :: 4.147 HB3 :: 4.386 HG :: 6.725 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 :: 116.333 Ave N Shift Values>> N :: 116.3(3.95) 1.C23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 Y 0.19 F 0.16 N 0.15 D 0.14 L 0.04 E 0.03 I 0.03 C Shift Assignments>> C :: 176.409 CA :: 55.619 CB :: 38.825 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.036 HA :: 4.822 HB2 :: 2.619 HB3 :: 3.183 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 :: 123.752 Ave N Shift Values>> N :: 119.95(4.79) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.093 CA :: 45.165 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.660 HA2 :: 3.795 HA3 :: 4.508 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.066 Ave N Shift Values>> N :: 109.91(4.29) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 176.136 CA :: 60.902 CB :: 71.611 CG2 :: 22.070 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 :: 7.703 HA :: 4.882 HB :: 4.508 HG21 :: 1.404 HG22 :: 1.404 HG23 :: 1.404 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 :: 110.906 Ave N Shift Values>> N :: 115.7(5.05) 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 :: 175.251 CA :: 60.197 CB :: 63.193 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.250 HA :: 4.476 HB2 :: 4.012 HB3 :: 4.108 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 :: 117.961 Ave N Shift Values>> N :: 116.3(3.95) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.262 CA :: 61.396 CB :: 69.553 CG2 :: 21.950 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 :: 7.434 HA :: 4.260 HB :: 4.419 HG1 :: 6.190 HG21 :: 1.232 HG22 :: 1.232 HG23 :: 1.232 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 :: 108.083 Ave N Shift Values>> N :: 115.7(5.05) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.34 C 0.04 L 0.03 V 0.01 C Shift Assignments>> C :: 178.604 CA :: 54.060 CB :: 19.847 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.048 HA :: 4.203 HB1 :: 1.299 HB2 :: 1.299 HB3 :: 1.299 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.040 Ave N Shift Values>> N :: 123.23(3.7) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.075 CA :: 57.484 CB :: 63.711 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.330 HA :: 4.576 HB2 :: 3.861 HB3 :: 3.971 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 :: 119.709 Ave N Shift Values>> N :: 116.3(3.95) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.323 CB :: 64.129 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.129 HA :: 4.919 HB2 :: 3.717 HB3 :: 3.777 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 :: 112.900 Ave N Shift Values>> N :: 116.3(3.95) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> C :: 175.450 CA :: 62.630 CB :: 33.875 CG :: 25.585 CD :: 50.197 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 :: 4.972 HB2 :: 2.027 HB3 :: 2.426 HG2 :: 1.915 HG3 :: 1.915 HD2 :: 3.411 HD3 :: 3.557 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.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.21 R 0.13 K 0.12 C 0.1 F 0.04 N 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 173.418 CA :: 53.737 CB :: 42.466 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.960 HA :: 4.813 HB2 :: 3.197 HB3 :: 3.275 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 :: 119.924 Ave N Shift Values>> N :: 119.95(4.79) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.892 CA :: 63.834 CB :: 37.304 CG1 :: 27.727 CG2 :: 18.934 CD1 :: 13.204 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 :: 9.133 HA :: 3.861 HB :: 1.185 HG12 :: 0.479 HG13 :: 1.951 HG21 :: -0.080 HG22 :: -0.080 HG23 :: -0.080 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 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 :: 115.216 Ave N Shift Values>> N :: 121.6(4.72) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.54 C 0.4 T 0.05 C Shift Assignments>> C :: 176.909 CA :: 61.523 CB :: 65.437 CG2 :: 24.096 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 :: 6.598 HA :: 4.039 HB :: 4.921 HG1 :: 6.350 HG21 :: 1.517 HG22 :: 1.517 HG23 :: 1.517 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 :: 122.728 Ave N Shift Values>> N :: 115.7(5.05) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.18 Y 0.17 F 0.16 E 0.02 C Shift Assignments>> C :: 176.437 CA :: 61.454 CB :: 38.279 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 :: 8.447 HA :: 4.007 HB2 :: 2.854 HB3 :: 3.044 HD1 :: 7.340 HD2 :: 7.340 HE1 :: 7.791 HE2 :: 7.791 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 :: 124.114 Ave N Shift Values>> N :: 120.69(4.18) 1.R36 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.44 R 0.29 G 0.25 C Shift Assignments>> C :: 174.069 CA :: 56.004 CB :: 29.081 CG :: 24.629 CD :: 44.139 CZ :: 158.581 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 :: 8.559 HA :: 4.511 HB2 :: 2.049 HB3 :: 2.417 HG2 :: 1.737 HG3 :: 1.737 HD2 :: 3.006 HD3 :: 3.174 HE :: 7.989 HH11 :: 6.747 HH12 :: 6.747 HH21 :: 7.147 HH22 :: 7.147 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 :: 110.117 NE :: 84.940 NH1 :: 67.855(A) NH2 :: 73.309 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.Y37 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>> CA :: 53.708 CB :: 38.918 CD1 :: 132.127 CD2 :: 134.390 CE1 :: 118.347 CE2 :: 117.272 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 :: 8.082 HA :: 5.758 HB2 :: 2.994 HB3 :: 3.139 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 :: 123.732 Ave N Shift Values>> N :: 120.79(4.69) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.153 CA :: 63.081 CB :: 31.764 CG :: 26.686 CD :: 50.645 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 :: 4.449 HB2 :: 2.262 HB3 :: 2.344 HG2 :: 1.470 HG3 :: 2.038 HD2 :: 3.448 HD3 :: 4.449 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.V39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 174.209 CA :: 66.531 CB :: 32.592 CG1 :: 22.965 CG2 :: 20.538 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 :: 5.771(S) HA :: 3.271 HB :: 0.734(S) HG11 :: 0.744 HG12 :: 0.744 HG13 :: 0.744 HG21 :: 1.129 HG22 :: 1.129 HG23 :: 1.129 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 :: 120.189 Ave N Shift Values>> N :: 121.02(4.96) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.04 R 0.01 C Shift Assignments>> C :: 176.439 CA :: 51.620 CB :: 45.297 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 :: 6.500 HA :: 5.310 HB2 :: 2.555 HB3 :: 2.696 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 :: 110.520 Ave N Shift Values>> N :: 120.73(4.2) 1.G41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.497 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 11.293(S) HA2 :: 3.249 HA3 :: 4.145 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.614 Ave N Shift Values>> N :: 109.91(4.29) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.3 C 0.14 R 0.12 W 0.1 K 0.06 P 0.06 Q 0.05 E 0.05 H 0.04 L 0.03 C Shift Assignments>> C :: 175.833 CA :: 60.319 CB :: 27.522 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 3.845 HB2 :: 2.991 HB3 :: 3.049 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) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 H 0.1 Y 0.02 C Shift Assignments>> C :: 176.436 CA :: 56.550 CB :: 35.279 CD1 :: 135.819 CD2 :: 135.806 CE1 :: 118.152 CE2 :: 118.130 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 :: 7.323 HA :: 4.289 HB2 :: 2.531 HB3 :: 3.094 HD1 :: 7.315 HD2 :: 7.315 HE1 :: 7.110 HE2 :: 7.110 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 :: 122.797 Ave N Shift Values>> N :: 120.79(4.69) 1.A44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.5 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 178.929 CA :: 54.339 CB :: 18.357 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 5.633(S) HA :: 4.855 HB1 :: 1.546 HB2 :: 1.546 HB3 :: 1.546 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.974 Ave N Shift Values>> N :: 123.23(3.7) 1.R45 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.29 G 0.12 C Shift Assignments>> C :: 178.343 CA :: 60.906 CB :: 29.784 CG :: 26.648 CD :: 43.022 CZ :: 160.640(A) 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 :: 7.920 HA :: 3.839 HB2 :: 1.445 HB3 :: 1.957 HG2 :: 0.905 HG3 :: 2.073 HD2 :: 2.598 HD3 :: 3.458 HE :: 8.997 HH11 :: 7.308 HH12 :: 7.308 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 :: 114.197 NE :: 80.612 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.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.35 I 0.04 C 0.02 C Shift Assignments>> C :: 178.516 CA :: 55.128 CB :: 17.889 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.323 HA :: 4.229 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.040 Ave N Shift Values>> N :: 123.23(3.7) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 H 0.29 W 0.27 C Shift Assignments>> C :: 178.807 CA :: 59.468 CB :: 31.560 CD2 :: 118.177 CE1 :: 138.885 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 :: 7.999 HA :: 4.860 HB2 :: 3.539 HB3 :: 4.192 HD1 :: 8.957 HD2 :: 7.329 HE1 :: 7.805 HE2 :: 10.747 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 :: 121.093 NE2 :: 164.497 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.32 R 0.28 M 0.03 G 0.02 C Shift Assignments>> C :: 178.366 CA :: 56.652 CB :: 32.377 CG :: 23.859 CD :: 28.572 CE :: 42.665 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 :: 8.322 HA :: 4.267 HB2 :: 1.766 HB3 :: 2.014 HG2 :: 1.285 HG3 :: 1.473 HD2 :: 1.466 HD3 :: 2.107 HE2 :: 2.767 HE3 :: 2.852 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 :: 118.920 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.16 I 0.14 C Shift Assignments>> C :: 177.676 CA :: 61.494 CB :: 35.703 CG :: 33.239 CE :: 17.885 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 :: 8.246 HA :: 3.907 HB2 :: 2.007 HB3 :: 2.791 HG2 :: 2.411 HG3 :: 3.480 HE1 :: 2.571 HE2 :: 2.571 HE3 :: 2.571 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 :: 116.286 Ave N Shift Values>> N :: 120.1(3.88) 1.R50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.38 C 0.38 R 0.15 L 0.03 I 0.01 K 0.01 C Shift Assignments>> C :: 176.751 CA :: 59.534 CB :: 28.867 CD :: 44.621 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 :: 7.931 HA :: 4.002 HB2 :: 1.477 HB3 :: 2.011 HG2 :: 1.689 HG3 :: 1.689 HD2 :: 2.721 HD3 :: 2.846 HE :: 9.546(S) HH11 :: 6.650 HH12 :: 6.650 HH21 :: 6.948 HH22 :: 6.948 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 :: 116.748 NE :: 89.856 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.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Q 0.41 E 0.07 C Shift Assignments>> C :: 177.098 CA :: 59.563 CB :: 27.971 CG :: 33.222 CD :: 179.512 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 :: 7.654 HA :: 3.944 HB2 :: 1.977 HB3 :: 2.612 HG2 :: 2.267 HG3 :: 2.451 HE21 :: 7.113 HE22 :: 7.708 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 :: 120.653 NE2 :: 113.596 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 179.305 CA :: 64.871 CB :: 37.068 CG1 :: 28.814 CG2 :: 16.923 CD1 :: 14.751 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 :: 7.617 HA :: 3.806 HB :: 2.148 HG12 :: 1.412 HG13 :: 1.777 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 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 :: 118.642 Ave N Shift Values>> N :: 121.6(4.72) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 R 0.12 K 0.07 L 0.01 C Shift Assignments>> C :: 180.446 CA :: 60.931 CB :: 40.695 CG :: 30.305 CD1 :: 25.893 CD2 :: 25.705 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 :: 7.682 HA :: 3.942 HB2 :: 1.907 HB3 :: 1.907 HG :: 1.801 HD11 :: 0.828 HD12 :: 0.828 HD13 :: 0.828 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 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 :: 122.290 Ave N Shift Values>> N :: 121.98(4.07) 1.M54 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.4 I 0.03 HN Overlap>> 1.S181 1.S181 C Shift Assignments>> C :: 181.282(A) CA :: 59.868 CB :: 33.404 CG :: 31.221 CE :: 16.166 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 :: 9.012 HA :: 4.560 HB2 :: 2.214 HB3 :: 2.214 HG2 :: 2.465 HG3 :: 2.858 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 :: 122.357 Ave N Shift Values>> N :: 120.1(3.88) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.41 D 0.1 C Shift Assignments>> C :: 176.373 CA :: 55.045 CB :: 37.688 CG :: 176.097 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.848 HA :: 4.541 HB2 :: 2.986 HB3 :: 3.146 HD21 :: 6.762 HD22 :: 7.731 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.275 ND2 :: 109.348 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.17 R 0.17 K 0.11 C 0.1 F 0.04 Y 0.03 N 0.02 G 0.02 C Shift Assignments>> C :: 173.318 CA :: 54.151 CB :: 42.684 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.851 HA :: 4.800 HB2 :: 2.975 HB3 :: 3.164 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.039 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G57 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 :: 173.947 CA :: 45.298 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.962 HA2 :: 3.552 HA3 :: 4.082 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.504 Ave N Shift Values>> N :: 109.91(4.29) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.42 G 0.03 HN Overlap>> 1.K70 1.K70 C Shift Assignments>> C :: 172.554 CA :: 57.716 CB :: 42.443 CD1 :: 133.835 CD2 :: 133.813 CE1 :: 117.917 CE2 :: 117.893 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 :: 8.380 HA :: 5.623 HB2 :: 2.345 HB3 :: 3.252 HD1 :: 6.897 HD2 :: 6.897 HE1 :: 6.857 HE2 :: 6.857 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 :: 121.795 Ave N Shift Values>> N :: 120.79(4.69) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.06 L 0.05 R 0.01 D 0.01 HN Overlap>> 1.N148 1.N148 C Shift Assignments>> C :: 174.555 CA :: 50.545 CB :: 44.498 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 :: 8.169 HA :: 5.111 HB2 :: 2.347 HB3 :: 2.881 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 :: 117.826 Ave N Shift Values>> N :: 120.73(4.2) 1.C60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.15 C 0.14 R 0.14 H 0.12 K 0.11 W 0.11 E 0.1 Q 0.07 V 0.01 C Shift Assignments>> C :: 172.209 CA :: 56.079 CB :: 31.445 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 10.009 HA :: 5.375 HB2 :: 2.886 HB3 :: 3.255 HG :: 2.086 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 :: 112.028 Ave N Shift Values>> N :: 119.95(4.79) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 M 0.01 E 0.01 C Shift Assignments>> C :: 177.793 CA :: 55.124 CB :: 35.306 CG :: 38.375 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 :: 7.784 HA :: 4.895 HB2 :: 2.032 HB3 :: 2.540 HG2 :: 2.269 HG3 :: 2.322 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 :: 114.481 Ave N Shift Values>> N :: 120.68(3.68) 1.K62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.47 K 0.39 R 0.07 M 0.04 C Shift Assignments>> C :: 175.401 CA :: 54.152 CB :: 35.484 CG :: 24.416 CD :: 29.647 CE :: 41.206 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 :: 8.861 HA :: 4.898 HB2 :: 1.072 HB3 :: 2.262 HG2 :: 1.362 HG3 :: 1.820 HD2 :: 1.361 HD3 :: 1.612 HE2 :: 2.702 HE3 :: 3.350 HZ1 :: 8.937(U) HZ2 :: 8.937(U) HZ3 :: 8.937(U) 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 :: 119.276 NZ :: 35.904 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q63 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 D 0.2 E 0.04 N 0.03 C Shift Assignments>> C :: 173.427 CA :: 56.446 CB :: 34.491 CG :: 37.980(S) CD :: 179.642 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 :: 7.444 HA :: 5.557 HB2 :: 1.845 HB3 :: 1.845 HG2 :: 2.086 HG3 :: 2.925 HE21 :: 7.362 HE22 :: 8.578 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 :: 117.946 NE2 :: 107.230 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 F 0.36 G 0.26 C Shift Assignments>> CA :: 56.332 CB :: 43.720 CD1 :: 132.898 CD2 :: 132.898 CE1 :: 131.254 CE2 :: 131.254 CZ :: 129.734 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 :: 9.403 HA :: 5.262 HB2 :: 2.607 HB3 :: 3.103 HD1 :: 7.209 HD2 :: 7.209 HE1 :: 7.388 HE2 :: 7.388 HZ :: 6.909 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 :: 123.930 Ave N Shift Values>> N :: 120.69(4.18) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.21 I 0.03 C Shift Assignments>> C :: 172.098 CA :: 59.578 CB :: 35.377 CG1 :: 21.079 CG2 :: 24.175 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 :: 9.238 HA :: 5.019 HB :: 1.868 HG11 :: 0.805 HG12 :: 0.805 HG13 :: 0.805 HG21 :: 1.091 HG22 :: 1.091 HG23 :: 1.091 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 :: 120.983 Ave N Shift Values>> N :: 121.02(4.96) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 Y 0.26 C Shift Assignments>> C :: 176.056 CA :: 56.443 CB :: 41.451 CD1 :: 135.055 CD2 :: 135.004 CE1 :: 116.167 CE2 :: 116.170 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 :: 9.029 HA :: 5.561 HB2 :: 2.942 HB3 :: 3.363 HD1 :: 7.380 HD2 :: 7.380 HE1 :: 6.505 HE2 :: 6.505 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 :: 122.816 Ave N Shift Values>> N :: 120.79(4.69) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 171.579 CA :: 46.413 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.502 HA2 :: 4.125 HA3 :: 4.826 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.175 Ave N Shift Values>> N :: 109.91(4.29) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.21 D 0.1 C Shift Assignments>> C :: 173.875 CA :: 51.531 CB :: 37.382 CG :: 177.350 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.377 HA :: 5.225 HB2 :: 2.797 HB3 :: 2.956 HD21 :: 6.610 HD22 :: 7.704 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.546 ND2 :: 111.744 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 A 0.24 R 0.19 L 0.13 C Shift Assignments>> C :: 178.403 CA :: 54.808 CB :: 41.588 CG :: 27.326 CD1 :: 21.483 CD2 :: 27.584 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 :: 8.070 HA :: 4.748 HB2 :: 1.922 HB3 :: 2.204 HG :: 1.633 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 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 :: 117.977 Ave N Shift Values>> N :: 121.98(4.07) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.39 G 0.13 K 0.02 HN Overlap>> 1.Y58 1.Y58 C Shift Assignments>> C :: 172.647 CA :: 54.619 CB :: 38.014 CG :: 25.860 CD :: 28.585 CE :: 43.443 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 :: 8.337 HA :: 4.829 HB2 :: 1.239 HB3 :: 1.366 HG2 :: 1.095 HG3 :: 1.173 HD2 :: 1.148 HD3 :: 1.585 HE2 :: 2.952 HE3 :: 2.952 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 :: 121.728 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.33 L 0.27 C 0.22 K 0.06 A 0.03 M 0.02 R 0.02 C Shift Assignments>> C :: 174.899 CA :: 50.046 CB :: 24.245 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.910 HA :: 4.721 HB1 :: 0.717 HB2 :: 0.717 HB3 :: 0.717 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.516 Ave N Shift Values>> N :: 123.23(3.7) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 176.068 CA :: 54.910 CB :: 65.296 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.615 HA :: 5.318 HB2 :: 3.486 HB3 :: 3.591 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 :: 111.540 Ave N Shift Values>> N :: 116.3(3.95) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.R118 1.R118 C Shift Assignments>> C :: 175.296 CA :: 61.240 CB :: 70.495 CG2 :: 22.045 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 :: 8.834 HA :: 4.548 HB :: 4.666 HG21 :: 1.202 HG22 :: 1.202 HG23 :: 1.202 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 :: 116.353 Ave N Shift Values>> N :: 115.7(5.05) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.626 CA :: 45.320 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.848 HA2 :: 3.538 HA3 :: 4.681 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.447 Ave N Shift Values>> N :: 109.91(4.29) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.537 CA :: 62.125 CB :: 70.393 CG2 :: 21.718 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 :: 8.007 HA :: 4.460 HB :: 4.215 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 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 :: 110.530 Ave N Shift Values>> N :: 115.7(5.05) 1.C76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.27 R 0.15 C 0.12 D 0.04 F 0.01 Y 0.01 C Shift Assignments>> C :: 171.824 CA :: 54.344 CB :: 44.527 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.836 HA :: 4.915 HB2 :: 3.300 HB3 :: 3.422 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 :: 117.468 Ave N Shift Values>> N :: 119.95(4.79) 1.C77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.21 L 0.12 R 0.02 C Shift Assignments>> C :: 173.776 CA :: 56.568 CB :: 46.130 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.563 HA :: 5.637 HB2 :: 2.771 HB3 :: 3.131 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 :: 118.120 Ave N Shift Values>> N :: 119.95(4.79) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.13 I 0.07 A 0.01 C Shift Assignments>> C :: 172.586 CA :: 58.919 CB :: 35.016 CG1 :: 19.246 CG2 :: 23.622 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 :: 8.800 HA :: 4.404 HB :: 1.698 HG11 :: 0.044 HG12 :: 0.044 HG13 :: 0.044 HG21 :: 0.574 HG22 :: 0.574 HG23 :: 0.574 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 :: 114.068 Ave N Shift Values>> N :: 121.02(4.96) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 L 0.15 C 0.13 M 0.09 C Shift Assignments>> C :: 176.752 CA :: 50.239 CB :: 21.949 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.681 HA :: 4.983 HB1 :: 1.330 HB2 :: 1.330 HB3 :: 1.330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.525 Ave N Shift Values>> N :: 123.23(3.7) 1.W80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 W 0.35 C Shift Assignments>> C :: 175.481 CA :: 53.941 CB :: 34.766 CD1 :: 125.607 CZ2 :: 114.184 CZ3 :: 121.687 CH2 :: 122.869 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 :: 8.386 HA :: 5.577 HB2 :: 2.978 HB3 :: 3.720 HD1 :: 7.300 HE1 :: 9.558 HE3 :: 6.917 HZ2 :: 7.111 HZ3 :: 6.488 HH2 :: 6.252 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 :: 120.774 NE1 :: 127.704 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.568 CA :: 58.699 CB :: 64.568 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.376 HA :: 5.826 HB2 :: 4.336 HB3 :: 4.418 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 :: 114.166 Ave N Shift Values>> N :: 116.3(3.95) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 171.667 CA :: 56.778 CB :: 41.008 CD1 :: 133.549 CD2 :: 133.510 CE1 :: 118.205 CE2 :: 118.205 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 :: 7.871 HA :: 5.786 HB2 :: 3.047 HB3 :: 3.597 HD1 :: 7.192 HD2 :: 7.192 HE1 :: 6.924 HE2 :: 6.924 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 :: 119.118 Ave N Shift Values>> N :: 120.79(4.69) 1.H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 H 0.26 W 0.2 Y 0.01 C Shift Assignments>> C :: 172.435 CA :: 54.333 CB :: 34.163 CD2 :: 119.674 CE1 :: 136.391 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 :: 9.260 HA :: 5.072 HB2 :: 2.390 HB3 :: 2.390 HD1 :: 12.720 HD2 :: 6.544 HE1 :: 7.139 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 :: 118.992 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.15 A 0.04 I 0.01 C Shift Assignments>> C :: 171.556 CA :: 58.053 CB :: 34.852 CG1 :: 18.939 CG2 :: 21.564 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 :: 6.540 HA :: 5.672 HB :: 1.689 HG11 :: 0.686 HG12 :: 0.686 HG13 :: 0.686 HG21 :: 0.010 HG22 :: 0.010 HG23 :: 0.010 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 :: 120.496 Ave N Shift Values>> N :: 121.02(4.96) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.13 L 0.1 C 0.08 HN Overlap>> 1.L11 1.L11 C Shift Assignments>> C :: 175.260 CA :: 51.197 CB :: 21.336 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.514 HA :: 4.182 HB1 :: 1.152 HB2 :: 1.152 HB3 :: 1.152 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.159 Ave N Shift Values>> N :: 123.23(3.7) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 I 0.25 C Shift Assignments>> C :: 172.088 CA :: 60.747 CB :: 39.215 CG1 :: 25.381 CG2 :: 21.142 CD1 :: 15.477 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 :: 6.347 HA :: 4.803 HB :: 2.188 HG12 :: 1.350 HG13 :: 1.842 HG21 :: 1.011 HG22 :: 1.011 HG23 :: 1.011 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 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 :: 106.157 Ave N Shift Values>> N :: 121.6(4.72) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.34 C 0.18 A 0.05 R 0.04 C Shift Assignments>> C :: 176.294 CA :: 53.239 CB :: 44.418 CG :: 27.091 CD1 :: 23.025 CD2 :: 25.775 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 :: 8.518 HA :: 4.819 HB2 :: 0.765 HB3 :: 1.584 HG :: 1.123 HD11 :: 0.611 HD12 :: 0.611 HD13 :: 0.611 HD21 :: 0.772 HD22 :: 0.772 HD23 :: 0.772 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 :: 126.201 Ave N Shift Values>> N :: 121.98(4.07) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 I 0.01 C Shift Assignments>> C :: 174.699 CA :: 59.949 CB :: 33.168 CG1 :: 19.430 CG2 :: 23.185 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 :: 9.594 HA :: 4.730 HB :: 2.268 HG11 :: 0.840 HG12 :: 0.840 HG13 :: 0.840 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 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 :: 124.991 Ave N Shift Values>> N :: 121.02(4.96) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 173.078 CA :: 57.689 CB :: 66.069 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.724 HA :: 5.706 HB2 :: 3.575 HB3 :: 4.191 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 :: 118.439 Ave N Shift Values>> N :: 116.3(3.95) 1.Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.37 G 0.01 C Shift Assignments>> C :: 171.692 CA :: 55.268 CB :: 42.058 CD1 :: 133.118 CD2 :: 133.075 CE1 :: 118.573 CE2 :: 118.573 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 :: 9.436 HA :: 5.738 HB2 :: 2.459 HB3 :: 2.619 HD1 :: 6.574 HD2 :: 6.574 HE1 :: 6.360 HE2 :: 6.360 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 :: 121.924 Ave N Shift Values>> N :: 120.79(4.69) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.33 R 0.16 M 0.03 G 0.01 C Shift Assignments>> C :: 175.810 CA :: 54.589 CB :: 33.269 CG :: 24.834 CD :: 29.431 CE :: 42.129 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 :: 7.376 HA :: 4.400 HB2 :: 1.534 HB3 :: 1.879 HG2 :: 1.263 HG3 :: 1.328 HD2 :: 1.534 HD3 :: 1.618 HE2 :: 2.940 HE3 :: 2.940 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 :: 118.609 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 C 0.15 D 0.12 C Shift Assignments>> C :: 177.310 CA :: 50.928 CB :: 38.244 CG :: 176.524 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.536 HA :: 4.614 HB2 :: 2.691 HB3 :: 3.629 HD21 :: 6.870 HD22 :: 8.418 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.819 ND2 :: 112.365 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.39 C 0.03 I 0.03 C Shift Assignments>> C :: 179.023 CA :: 55.087 CB :: 18.472 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.532 HA :: 4.269 HB1 :: 1.573 HB2 :: 1.573 HB3 :: 1.573 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.349 Ave N Shift Values>> N :: 123.23(3.7) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.331 CA :: 58.246 CB :: 63.676 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.070 HA :: 4.690 HB2 :: 3.949 HB3 :: 4.104 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 :: 112.225 Ave N Shift Values>> N :: 116.3(3.95) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.648 CA :: 45.568 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.296 HA2 :: 3.675 HA3 :: 4.298 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.941 Ave N Shift Values>> N :: 109.91(4.29) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.32 C Shift Assignments>> C :: 175.409 CA :: 61.517 CB :: 33.473 CG1 :: 21.410 CG2 :: 20.894 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 :: 7.660 HA :: 4.066 HB :: 1.939 HG11 :: 0.881 HG12 :: 0.881 HG13 :: 0.881 HG21 :: 0.918 HG22 :: 0.918 HG23 :: 0.918 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 :: 123.251 Ave N Shift Values>> N :: 121.02(4.96) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.811 CA :: 63.306 CB :: 68.431 CG2 :: 22.662 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 :: 8.614 HA :: 4.470 HB :: 3.980 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 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 :: 123.374 Ave N Shift Values>> N :: 115.7(5.05) 1.E98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.75 M 0.14 E 0.09 C Shift Assignments>> C :: 173.577 CA :: 54.682 CB :: 33.971 CG :: 36.965 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 :: 9.035 HA :: 4.484 HB2 :: 1.252(S) HB3 :: 1.823 HG2 :: 2.012 HG3 :: 2.053 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 :: 129.576 Ave N Shift Values>> N :: 120.68(3.68) 1.K99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 R 0.26 K 0.22 M 0.03 G 0.01 C Shift Assignments>> C :: 179.093 CA :: 54.554 CB :: 36.283 CG :: 24.995 CD :: 30.352 CE :: 41.913 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 :: 8.373 HA :: 6.086(S) HB2 :: 1.467 HB3 :: 1.685 HG2 :: 1.294 HG3 :: 1.524 HD2 :: 1.386 HD3 :: 1.528 HE2 :: 2.798 HE3 :: 2.798 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 :: 115.008 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 K 0.15 G 0.14 R 0.01 C Shift Assignments>> C :: 174.380 CA :: 53.291 CB :: 36.523(S) CG :: 28.499 CD :: 42.956 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 :: 9.056 HA :: 4.595 HB2 :: 1.283 HB3 :: 1.730 HG2 :: 1.490 HG3 :: 1.734 HD2 :: 2.459 HD3 :: 3.207 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 :: 120.986 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.I101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.86 I 0.07 A 0.05 C Shift Assignments>> C :: 176.982 CA :: 56.867 CB :: 36.915 CG1 :: 25.085 CG2 :: 16.086 CD1 :: 9.336 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 :: 9.409 HA :: 4.791 HB :: 1.438 HG12 :: 0.789 HG13 :: 1.094 HG21 :: -0.482(S) HG22 :: -0.482(S) HG23 :: -0.482(S) HD11 :: -0.344(S) HD12 :: -0.344(S) HD13 :: -0.344(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 :: 122.799 Ave N Shift Values>> N :: 121.6(4.72) 1.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 173.598 CA :: 62.054 CB :: 39.291 CG1 :: 27.710 CG2 :: 17.234 CD1 :: 13.088 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 :: 7.828 HA :: 4.094 HB :: 1.693 HG12 :: 0.874 HG13 :: 1.684 HG21 :: 1.108 HG22 :: 1.108 HG23 :: 1.108 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 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 :: 123.819 Ave N Shift Values>> N :: 121.6(4.72) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.19 L 0.16 C 0.11 K 0.06 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> CA :: 52.465 CB :: 41.114 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 :: 9.211 HA :: 4.732 HB2 :: 2.535 HB3 :: 3.019 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 :: 117.813 Ave N Shift Values>> N :: 120.73(4.2) 1.P104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.014 CA :: 62.731 CB :: 30.298 CG :: 26.659 CD :: 50.263 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 :: 4.507 HB2 :: -0.189(S) HB3 :: 1.796 HG2 :: 0.905 HG3 :: 1.267 HD2 :: 3.404 HD3 :: 3.666 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.S105 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 :: 173.321 CA :: 61.460 CB :: 64.272 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.047 HA :: 4.430 HB2 :: 4.172 HB3 :: 4.277 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 :: 112.075 Ave N Shift Values>> N :: 116.3(3.95) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 G 0.16 A 0.11 L 0.06 C Shift Assignments>> C :: 175.799 CA :: 55.537 CB :: 47.568 CG :: 26.666 CD1 :: 22.421 CD2 :: 26.270 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 :: 6.966 HA :: 4.638 HB2 :: 1.223 HB3 :: 1.779 HG :: 1.844 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.957 HD22 :: 0.957 HD23 :: 0.957 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 :: 119.246 Ave N Shift Values>> N :: 121.98(4.07) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.46 C Shift Assignments>> C :: 175.884 CA :: 57.471 CB :: 40.506 CD1 :: 133.175 CD2 :: 133.200 CE1 :: 130.885 CE2 :: 130.897 CZ :: 129.415 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 :: 8.678 HA :: 4.908 HB2 :: 3.014 HB3 :: 3.231 HD1 :: 7.376 HD2 :: 7.376 HE1 :: 7.475 HE2 :: 7.475 HZ :: 7.348 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 :: 118.149 Ave N Shift Values>> N :: 120.69(4.18) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.041 CA :: 60.280 CB :: 63.969 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.990 HA :: 4.281 HB2 :: 3.980 HB3 :: 4.070 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 :: 118.799 Ave N Shift Values>> N :: 116.3(3.95) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.198 CA :: 59.910 CB :: 63.720 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.648 HA :: 4.543 HB2 :: 3.933 HB3 :: 3.933 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 :: 114.125 Ave N Shift Values>> N :: 116.3(3.95) 1.G110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> CA :: 44.906 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.750 HA2 :: 1.802(S) HA3 :: 3.591 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.258 Ave N Shift Values>> N :: 109.91(4.29) 1.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.3 C Shift Assignments>> C :: 176.034 CA :: 62.034 CB :: 32.162 CG :: 27.046 CD :: 49.428 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 :: 4.676 HB2 :: 1.511 HB3 :: 1.889 HG2 :: 1.337 HG3 :: 1.727 HD2 :: 2.673 HD3 :: 3.088 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.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 I 0.04 V 0.02 C Shift Assignments>> C :: 175.035 CA :: 59.393 CB :: 36.326 CG1 :: 17.458 CG2 :: 20.576 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 :: 8.776 HA :: 4.754 HB :: 1.778 HG11 :: 0.221 HG12 :: 0.221 HG13 :: 0.221 HG21 :: 0.356 HG22 :: 0.356 HG23 :: 0.356 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 :: 115.838 Ave N Shift Values>> N :: 121.02(4.96) 1.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.986 CA :: 62.123 CB :: 70.211 CG2 :: 21.933 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 :: 8.511 HA :: 4.389 HB :: 4.731 HG21 :: 1.379 HG22 :: 1.379 HG23 :: 1.379 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 :: 114.028 Ave N Shift Values>> N :: 115.7(5.05) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.24 F 0.17 E 0.12 I 0.08 N 0.04 D 0.03 M 0.01 L 0.01 C Shift Assignments>> C :: 178.371 CA :: 57.204 CB :: 38.002 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 :: 9.453 HA :: 4.367 HB2 :: 2.389 HB3 :: 3.163 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 :: 121.518 Ave N Shift Values>> N :: 120.73(4.2) 1.T115 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.N119 1.N119 C Shift Assignments>> C :: 176.514 CA :: 65.731 CB :: 68.555 CG2 :: 22.219 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 :: 7.811 HA :: 3.755 HB :: 4.065 HG21 :: 1.267 HG22 :: 1.267 HG23 :: 1.267 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 :: 115.264 Ave N Shift Values>> N :: 115.7(5.05) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.03 C 0.02 C Shift Assignments>> C :: 180.816 CA :: 55.107 CB :: 17.964 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.662 HA :: 4.160 HB1 :: 1.376 HB2 :: 1.376 HB3 :: 1.376 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.939 Ave N Shift Values>> N :: 123.23(3.7) 1.W117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.59 C 0.4 C Shift Assignments>> C :: 177.297 CA :: 61.693 CB :: 28.116 CD1 :: 124.147 CE3 :: 120.904 CZ2 :: 114.514 CZ3 :: 122.854 CH2 :: 124.820 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 :: 8.380 HA :: 4.527 HB2 :: 2.956 HB3 :: 3.526 HD1 :: 7.146 HE1 :: 11.747 HE3 :: 7.528 HZ2 :: 6.418 HZ3 :: 7.239 HH2 :: 7.063 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 :: 120.934 NE1 :: 131.209 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R118 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> C 0.48 G 0.4 R 0.11 HN Overlap>> 1.T73 1.T73 C Shift Assignments>> C :: 180.151 CA :: 61.619 CB :: 30.703 CG :: 30.381 CD :: 44.004 CZ :: 157.966 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 :: 8.861 HA :: 3.479 HB2 :: 1.401 HB3 :: 1.952 HG2 :: 1.058 HG3 :: 2.559(S) HD2 :: 2.556 HD3 :: 3.019 HE :: 7.346 HH11 :: 6.389 HH12 :: 6.389 HH21 :: 6.814 HH22 :: 6.814 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 :: 116.397 NE :: 80.269 NH1 :: 69.404(A) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD2 > HG3 : 0.9983) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 N 0.38 D 0.15 HN Overlap>> 1.T115 1.T115 C Shift Assignments>> C :: 178.406 CA :: 55.846 CB :: 38.120 CG :: 176.275 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.849 HA :: 4.451 HB2 :: 2.871 HB3 :: 2.921 HD21 :: 6.982 HD22 :: 7.715 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.301 ND2 :: 112.366 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.33 C 0.03 L 0.01 C Shift Assignments>> C :: 177.154 CA :: 53.886 CB :: 19.323 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.814 HA :: 4.322 HB1 :: 1.822 HB2 :: 1.822 HB3 :: 1.822 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.242 Ave N Shift Values>> N :: 123.23(3.7) 1.C121 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.3 C 0.14 R 0.12 W 0.09 K 0.06 P 0.06 Q 0.05 E 0.05 H 0.04 L 0.02 C Shift Assignments>> C :: 172.812 CA :: 60.340 CB :: 27.526 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.088 HA :: 4.178 HB2 :: 2.808 HB3 :: 3.090 HG :: 2.222(A) 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 :: 111.524 Ave N Shift Values>> N :: 119.95(4.79) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.13 A 0.03 C Shift Assignments>> C :: 174.344 CA :: 58.411 CB :: 31.170 CG1 :: 24.407 CG2 :: 20.023 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 :: 7.146 HA :: 4.345 HB :: 2.125 HG11 :: 0.837 HG12 :: 0.837 HG13 :: 0.837 HG21 :: 1.050 HG22 :: 1.050 HG23 :: 1.050 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 :: 115.849 Ave N Shift Values>> N :: 121.02(4.96) 1.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.23 D 0.22 C Shift Assignments>> C :: 176.462 CA :: 52.818 CB :: 37.926 CG :: 177.840 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.085 HA :: 4.672 HB2 :: 2.604 HB3 :: 2.604 HD21 :: 7.355 HD22 :: 8.183 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.642 ND2 :: 113.722 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 177.963 CA :: 63.201 CB :: 68.522 CG2 :: 22.230 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 :: 8.218 HA :: 4.860 HB :: 4.505 HG21 :: 1.448 HG22 :: 1.448 HG23 :: 1.448 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 :: 116.788 Ave N Shift Values>> N :: 115.7(5.05) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.927 CA :: 61.307 CB :: 62.507 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.612 HA :: 4.421 HB2 :: 3.907 HB3 :: 3.907 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 :: 119.562 Ave N Shift Values>> N :: 116.3(3.95) 1.C126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.16 N 0.15 C 0.11 F 0.08 K 0.08 Y 0.07 R 0.01 C Shift Assignments>> C :: 174.113 CA :: 53.909 CB :: 40.770 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.846 HA :: 4.669 HB2 :: 2.747 HB3 :: 3.086 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 :: 117.726 Ave N Shift Values>> N :: 119.95(4.79) 1.G127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.27 G 0.15 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 171.296 CA :: 43.745 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.316 HA2 :: 3.705 HA3 :: 4.341 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.244 Ave N Shift Values>> N :: 109.91(4.29) 1.S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S133 1.S133 C Shift Assignments>> C :: 173.496 CA :: 59.000 CB :: 63.291 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.228 HA :: 4.238 HB2 :: 3.773 HB3 :: 3.827 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 :: 113.490 Ave N Shift Values>> N :: 116.3(3.95) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 A 0.3 C 0.15 M 0.12 K 0.03 C Shift Assignments>> C :: 176.244 CA :: 51.684 CB :: 22.541 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.986 HA :: 5.204 HB1 :: 1.231 HB2 :: 1.231 HB3 :: 1.231 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.623 Ave N Shift Values>> N :: 123.23(3.7) 1.S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.207 CA :: 58.634 CB :: 64.683 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.918 HA :: 4.512 HB2 :: 3.854 HB3 :: 4.076 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 :: 112.884 Ave N Shift Values>> N :: 116.3(3.95) 1.V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.533 CA :: 62.109 CB :: 34.096 CG1 :: 22.712 CG2 :: 21.863 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 :: 8.707 HA :: 4.268 HB :: 2.016 HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 1.099 HG22 :: 1.099 HG23 :: 1.099 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 :: 122.062 Ave N Shift Values>> N :: 121.02(4.96) 1.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.663 CA :: 59.665 CB :: 63.967 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.146 HA :: 4.758 HB2 :: 3.947 HB3 :: 3.947 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 :: 123.672 Ave N Shift Values>> N :: 116.3(3.95) 1.S133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.S128 1.S128 C Shift Assignments>> C :: 171.652 CA :: 58.615 CB :: 64.924 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.204 HA :: 4.754 HB2 :: 3.942 HB3 :: 4.154 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 :: 113.478 Ave N Shift Values>> N :: 116.3(3.95) 1.Y134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.38 C Shift Assignments>> C :: 173.684 CA :: 57.292 CB :: 41.573 CD1 :: 133.359 CD2 :: 133.339 CE1 :: 118.104 CE2 :: 118.071 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 :: 8.244 HA :: 5.848 HB2 :: 3.169 HB3 :: 3.431 HD1 :: 6.843 HD2 :: 6.843 HE1 :: 6.799 HE2 :: 6.799 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 :: 113.743 Ave N Shift Values>> N :: 120.79(4.69) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.15 A 0.15 M 0.11 K 0.07 C Shift Assignments>> C :: 175.054 CA :: 52.092 CB :: 23.000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.894 HA :: 4.697 HB1 :: 1.433 HB2 :: 1.433 HB3 :: 1.433 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.111 Ave N Shift Values>> N :: 123.23(3.7) 1.N136 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> N 0.54 C 0.33 D 0.11 C Shift Assignments>> C :: 176.539 CA :: 51.534 CB :: 39.335 CG :: 174.370 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.879 HA :: 6.365(A) HB2 :: 2.666 HB3 :: 2.824 HD21 :: 6.655 HD22 :: 7.446 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.914 ND2 :: 108.093 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 C 0.43 C Shift Assignments>> C :: 174.197 CA :: 60.022 CB :: 73.279 CG2 :: 21.209 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 :: 9.665 HA :: 4.958 HB :: 4.550 HG1 :: 4.069 HG21 :: 1.214 HG22 :: 1.214 HG23 :: 1.214 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 :: 112.529 Ave N Shift Values>> N :: 115.7(5.05) 1.A138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.23 C 0.02 HN Overlap>> 1.Y152 1.Y152 C Shift Assignments>> C :: 180.375 CA :: 52.907 CB :: 19.292 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.634 HA :: 4.608 HB1 :: 1.686 HB2 :: 1.686 HB3 :: 1.686 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.228 Ave N Shift Values>> N :: 123.23(3.7) 1.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 C 0.26 P 0.19 A 0.08 N 0.03 L 0.01 D 0.01 C Shift Assignments>> C :: 172.925 CA :: 48.019 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.825 HA2 :: 3.692 HA3 :: 4.073 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.281 Ave N Shift Values>> N :: 109.91(4.29) 1.N140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 C 0.4 D 0.08 C Shift Assignments>> C :: 175.474 CA :: 54.587 CB :: 37.255 CG :: 176.328 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.138 HA :: 4.535 HB2 :: 3.005 HB3 :: 3.242 HD21 :: 6.776 HD22 :: 7.701 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 111.382 ND2 :: 111.457 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 174.555 CA :: 64.924 CB :: 31.671 CG1 :: 22.545 CG2 :: 22.562 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 :: 7.486 HA :: 3.392 HB :: 2.338 HG11 :: 0.558 HG12 :: 0.558 HG13 :: 0.558 HG21 :: 0.735 HG22 :: 0.735 HG23 :: 0.735 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 :: 122.433 Ave N Shift Values>> N :: 121.02(4.96) 1.Y142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.48 C Shift Assignments>> C :: 175.412 CA :: 57.352 CB :: 41.271 CD1 :: 131.479 CD2 :: 131.833 CE1 :: 121.079 CE2 :: 117.203 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 :: 8.532 HA :: 4.410 HB2 :: 2.482 HB3 :: 2.573 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 :: 130.928 Ave N Shift Values>> N :: 120.79(4.69) 1.Y143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.36 G 0.01 C Shift Assignments>> CA :: 57.671 CB :: 41.917 CD1 :: 131.920 CD2 :: 131.904 CE1 :: 118.473 CE2 :: 118.491 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 :: 7.461 HA :: 4.501 HB2 :: 2.233 HB3 :: 2.698 HD1 :: 6.574 HD2 :: 6.574 HE1 :: 5.877 HE2 :: 5.877 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 :: 114.396 Ave N Shift Values>> N :: 120.79(4.69) 1.R144 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.54 C 0.27 G 0.17 C Shift Assignments>> C :: 174.793 CA :: 51.767 CB :: 31.232 CG :: 27.230 CD :: 43.266 CZ :: 158.929 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>> HA :: 4.512 HB2 :: -0.304(S) HB3 :: 0.580(S) HG2 :: 0.750 HG3 :: 1.438 HD2 :: 2.600 HD3 :: 2.872 HE :: 7.431 HH11 :: 6.295 HH12 :: 6.295 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>> NE :: 86.027 NH1 :: 70.142 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.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.996 CB :: 62.891 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.722 HA :: 4.496 HB2 :: 3.778 HB3 :: 4.402 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 :: 126.780 Ave N Shift Values>> N :: 116.3(3.95) 1.P146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.1 C Shift Assignments>> C :: 176.433 CA :: 64.415 CB :: 30.710 CG :: 27.499 CD :: 49.923 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 :: 3.379 HB2 :: 1.712 HB3 :: 1.712 HG2 :: 1.709 HG3 :: 2.040 HD2 :: 3.706 HD3 :: 3.802 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.S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.929 CA :: 57.154 CB :: 62.535 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.252 HA :: 4.381 HB2 :: 3.688 HB3 :: 3.920 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 :: 109.206 Ave N Shift Values>> N :: 116.3(3.95) 1.N148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.3 C 0.3 E 0.01 HN Overlap>> 1.D59 1.D59 C Shift Assignments>> C :: 173.153 CA :: 54.586 CB :: 38.415 CG :: 177.968 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.139 HA :: 3.737 HB2 :: 2.271 HB3 :: 3.358 HD21 :: 6.894 HD22 :: 7.571 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.823 ND2 :: 111.834 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.279 CA :: 57.343 CB :: 64.110 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.199 HA :: 4.509 HB2 :: 3.616 HB3 :: 3.694 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 :: 111.602 Ave N Shift Values>> N :: 116.3(3.95) 1.Y150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 175.286 CA :: 55.813 CB :: 41.306 CD1 :: 132.165 CD2 :: 132.127 CE1 :: 117.987 CE2 :: 118.011 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 :: 8.663 HA :: 5.210 HB2 :: 2.479 HB3 :: 2.890 HD1 :: 6.969 HD2 :: 6.969 HE1 :: 6.665 HE2 :: 6.665 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 :: 123.023 Ave N Shift Values>> N :: 120.79(4.69) 1.L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.31 C 0.24 A 0.01 C Shift Assignments>> C :: 175.058 CA :: 53.512 CB :: 46.237 CG :: 26.914 CD1 :: 24.347 CD2 :: 24.000 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 :: 8.642 HA :: 4.690 HB2 :: 1.641 HB3 :: 1.701 HG :: 1.721 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 HD21 :: 0.919 HD22 :: 0.919 HD23 :: 0.919 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 :: 121.455 Ave N Shift Values>> N :: 121.98(4.07) 1.Y152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 HN Overlap>> 1.A138 1.A138 C Shift Assignments>> C :: 172.617 CA :: 58.715 CB :: 41.178 CD1 :: 133.865 CD2 :: 133.852 CE1 :: 117.559 CE2 :: 117.562 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 :: 8.614 HA :: 4.630 HB2 :: 2.776 HB3 :: 3.277 HD1 :: 7.298 HD2 :: 7.298 HE1 :: 6.731 HE2 :: 6.731 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 :: 121.282 Ave N Shift Values>> N :: 120.79(4.69) 1.D153 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.29 L 0.2 K 0.12 C 0.1 N 0.1 F 0.06 Y 0.05 R 0.04 C Shift Assignments>> C :: 178.678 CA :: 53.663 CB :: 41.422 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 :: 9.082 HA :: 5.210 HB2 :: 1.368(S) HB3 :: 1.650(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 :: 120.629 Ave N Shift Values>> N :: 120.73(4.2) 1.N154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 N 0.26 D 0.17 E 0.01 C Shift Assignments>> C :: 176.395 CA :: 56.704 CB :: 38.262 CG :: 176.806 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.454 HA :: 4.561 HB2 :: 2.883 HB3 :: 2.999 HD21 :: 7.029 HD22 :: 7.863 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.029 ND2 :: 113.727 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.39 C 0.16 C Shift Assignments>> C :: 174.119 CA :: 52.929 CB :: 39.541 CG :: 177.576 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.147 HA :: 5.104 HB2 :: 2.696 HB3 :: 3.102 HD21 :: 7.053 HD22 :: 7.956 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.864 ND2 :: 114.281 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 C Shift Assignments>> C :: 174.754 CA :: 58.549 CB :: 38.208 CG :: 30.151 CD1 :: 25.386 CD2 :: 26.512 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 :: 7.707 HA :: 4.285 HB2 :: 1.785 HB3 :: 2.102 HG :: 1.685 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 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 :: 116.249 Ave N Shift Values>> N :: 121.98(4.07) 1.I157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 179.275 CA :: 63.427 CB :: 37.725 CG1 :: 28.434 CG2 :: 15.868 CD1 :: 10.693 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 :: 7.629 HA :: 3.592 HB :: 1.677 HG12 :: 1.241 HG13 :: 1.511 HG21 :: 0.720 HG22 :: 0.720 HG23 :: 0.720 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 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 :: 119.358 Ave N Shift Values>> N :: 121.6(4.72) 1.N158 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 D 0.08 E 0.04 C Shift Assignments>> C :: 177.359 CA :: 59.960(S) CB :: 39.129 CG :: 178.447 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 10.120 HA :: 4.003 HB2 :: 1.921 HB3 :: 2.276 HD21 :: 6.658 HD22 :: 6.739 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.392 ND2 :: 114.036 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T159 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 :: 176.219 CA :: 67.575 CB :: 69.976 CG2 :: 22.139 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 :: 10.057 HA :: 3.869 HB :: 3.907 HG1 :: 6.354 HG21 :: 1.337 HG22 :: 1.337 HG23 :: 1.337 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 :: 120.099 Ave N Shift Values>> N :: 115.7(5.05) 1.N160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 N 0.3 D 0.03 C Shift Assignments>> C :: 177.827 CA :: 55.624 CB :: 36.976 CG :: 175.299 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.273 HA :: 4.426 HB2 :: 2.854 HB3 :: 2.854 HD21 :: 7.111 HD22 :: 7.348 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.630 ND2 :: 110.773 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 Y 0.24 C 0.21 F 0.2 E 0.05 C Shift Assignments>> C :: 176.083 CA :: 59.841 CB :: 38.370 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.612 HA :: 4.301 HB2 :: 3.284 HB3 :: 3.333 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 :: 123.113 Ave N Shift Values>> N :: 119.95(4.79) 1.V162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.257 CA :: 67.251 CB :: 31.730 CG1 :: 21.343 CG2 :: 23.309 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 :: 8.958 HA :: 3.059 HB :: 1.907 HG11 :: 0.420 HG12 :: 0.420 HG13 :: 0.420 HG21 :: 1.084 HG22 :: 1.084 HG23 :: 1.084 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 :: 124.487 Ave N Shift Values>> N :: 121.02(4.96) 1.L163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.45 R 0.01 C Shift Assignments>> C :: 181.494 CA :: 57.948 CB :: 40.593 CG :: 26.460 CD1 :: 26.160 CD2 :: 23.769 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 :: 8.276 HA :: 4.012 HB2 :: 1.827 HB3 :: 1.827 HG :: 2.233 HD11 :: 0.752 HD12 :: 0.752 HD13 :: 0.752 HD21 :: 0.974 HD22 :: 0.974 HD23 :: 0.974 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 :: 114.605 Ave N Shift Values>> N :: 121.98(4.07) 1.T164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.219 CA :: 68.233 CB :: 68.532 CG2 :: 21.079 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 :: 8.043 HA :: 3.906 HB :: 4.456 HG1 :: 5.396 HG21 :: 1.293 HG22 :: 1.293 HG23 :: 1.293 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 :: 116.683 Ave N Shift Values>> N :: 115.7(5.05) 1.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.26 M 0.01 G 0.01 C Shift Assignments>> C :: 179.456 CA :: 58.910 CB :: 31.496 CG :: 25.355 CD :: 28.911 CE :: 42.266 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 :: 8.066 HA :: 4.167 HB2 :: 1.652 HB3 :: 1.851 HG2 :: 1.545 HG3 :: 1.594 HD2 :: 1.727 HD3 :: 1.727 HE2 :: 2.953 HE3 :: 3.004 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 :: 122.599 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 F 0.24 C Shift Assignments>> C :: 176.937 CA :: 53.124 CB :: 38.058 CD1 :: 129.016 CD2 :: 129.048 CE1 :: 131.096 CE2 :: 131.093 CZ :: 129.673 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 :: 7.769 HA :: 5.018 HB2 :: 3.326 HB3 :: 3.807 HD1 :: 7.003 HD2 :: 7.003 HE1 :: 7.149 HE2 :: 7.149 HZ :: 7.389 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 :: 116.457 Ave N Shift Values>> N :: 120.69(4.18) 1.S167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 176.776 CA :: 62.991 CB :: 64.712 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.488 HA :: 4.063 HB2 :: 4.101 HB3 :: 4.174 HG :: 5.343 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 :: 115.788 Ave N Shift Values>> N :: 116.3(3.95) 1.L168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.3 A 0.1 R 0.04 C Shift Assignments>> C :: 176.899 CA :: 54.864 CB :: 41.537 CG :: 26.743 CD1 :: 22.236 CD2 :: 25.210 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 :: 8.651 HA :: 4.291 HB2 :: 1.637 HB3 :: 1.721 HG :: 1.742 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.957 HD22 :: 0.957 HD23 :: 0.957 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 :: 118.630 Ave N Shift Values>> N :: 121.98(4.07) 1.L169 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 L 0.34 A 0.29 C Shift Assignments>> C :: 175.849 CA :: 54.177 CB :: 40.111 CG :: 26.286 CD1 :: 26.198 CD2 :: 21.421 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 :: 7.615 HA :: 4.305 HB2 :: 0.447(S) HB3 :: 0.895 HG :: 1.397 HD11 :: 0.435 HD12 :: 0.435 HD13 :: 0.435 HD21 :: 0.630 HD22 :: 0.630 HD23 :: 0.630 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 :: 120.385 Ave N Shift Values>> N :: 121.98(4.07) 1.S170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 172.917 CA :: 58.250 CB :: 65.275 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.830 HA :: 4.582 HB2 :: 3.631 HB3 :: 3.725 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 :: 112.153 Ave N Shift Values>> N :: 116.3(3.95) 1.G171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 172.989 CA :: 44.971 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.138 HA2 :: 3.941 HA3 :: 4.496 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.933 Ave N Shift Values>> N :: 109.91(4.29) 1.C172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.21 C 0.15 G 0.14 F 0.06 Y 0.04 K 0.03 D 0.02 C Shift Assignments>> C :: 172.822 CA :: 57.500 CB :: 43.933 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.469 HA :: 4.266 HB2 :: 2.900 HB3 :: 3.663 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 :: 113.750 Ave N Shift Values>> N :: 119.95(4.79) 1.S173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.271 CB :: 64.900 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.732 HA :: 4.613 HB2 :: 3.842 HB3 :: 3.842 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 :: 114.035 Ave N Shift Values>> N :: 116.3(3.95) 1.P174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.77 P 0.21 C Shift Assignments>> C :: 175.920 CA :: 62.271 CB :: 34.632 CG :: 24.980 CD :: 51.130 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 :: 4.816 HB2 :: 2.213 HB3 :: 2.486 HG2 :: 1.977 HG3 :: 2.098 HD2 :: 3.574 HD3 :: 3.678 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.S175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.599 CB :: 64.665 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.509 HA :: 4.514 HB2 :: 3.835 HB3 :: 3.835 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 :: 117.276 Ave N Shift Values>> N :: 116.3(3.95) 1.P176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.56 P 0.43 C Shift Assignments>> C :: 175.290 CA :: 63.079 CB :: 34.912 CG :: 25.496 CD :: 50.543 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 :: 4.729 HB2 :: 2.290 HB3 :: 2.628 HG2 :: 1.947 HG3 :: 2.053 HD2 :: 3.677 HD3 :: 3.677 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.A177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.1 C 0.03 L 0.01 C Shift Assignments>> CA :: 50.946 CB :: 19.865 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.873 HA :: 4.467 HB1 :: 1.418 HB2 :: 1.418 HB3 :: 1.418 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.667 Ave N Shift Values>> N :: 123.23(3.7) 1.P178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 174.919 CA :: 62.970 CB :: 32.508 CG :: 27.925 CD :: 50.269 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 :: 4.458 HB2 :: 1.919 HB3 :: 2.536 HG2 :: 2.197 HG3 :: 2.197 HD2 :: 3.471 HD3 :: 3.624 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.D179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.18 D 0.15 R 0.14 C 0.1 F 0.07 Y 0.05 N 0.02 C Shift Assignments>> C :: 178.043 CA :: 55.391 CB :: 42.207 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 :: 8.265 HA :: 4.580 HB2 :: 2.759 HB3 :: 2.935 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 :: 119.909 Ave N Shift Values>> N :: 120.73(4.2) 1.V180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.33 C Shift Assignments>> C :: 178.085 CA :: 60.692 CB :: 31.738 CG1 :: 22.716 CG2 :: 18.012 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 :: 8.851 HA :: 4.619 HB :: 2.521 HG11 :: 0.844 HG12 :: 0.844 HG13 :: 0.844 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 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 :: 118.757 Ave N Shift Values>> N :: 121.02(4.96) 1.S181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M54 1.M54 C Shift Assignments>> C :: 175.075 CA :: 62.045 CB :: 62.784 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.029 HA :: 4.247 HB2 :: 4.077 HB3 :: 4.139 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 :: 122.249 Ave N Shift Values>> N :: 116.3(3.95) 1.S182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.656 CA :: 59.117 CB :: 62.960 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.143 HA :: 4.408 HB2 :: 3.880 HB3 :: 4.015 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 :: 114.397 Ave N Shift Values>> N :: 116.3(3.95) 1.C183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 C 0.2 Y 0.13 D 0.12 F 0.09 E 0.04 L 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 174.560 CA :: 54.330 CB :: 38.241 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.779 HA :: 4.638 HB2 :: 2.903 HB3 :: 3.113 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 :: 121.543 Ave N Shift Values>> N :: 119.95(4.79) 1.G184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.26 G 0.25 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.698 CA :: 44.032 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.527 HA2 :: 3.776 HA3 :: 4.322 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.673 Ave N Shift Values>> N :: 109.91(4.29) 1.F185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 F 0.29 C 0.26 HN Overlap>> 1.V4 1.V4 C Shift Assignments>> CA :: 60.012 CB :: 44.182 CD1 :: 132.637 CD2 :: 132.637 CE1 :: 131.869 CE2 :: 131.265 CZ :: 129.412 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 :: 7.712 HA :: 4.413 HB2 :: 2.749 HB3 :: 3.425 HD1 :: 7.476 HD2 :: 7.476 HE1 :: 7.266 HE2 :: 7.266 HZ :: 7.282 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 :: 120.069 Ave N Shift Values>> N :: 120.69(4.18) ########################################################################### Overall Results: #Consistent: 162 #Clerical: 1 #Suspicious: 15 #Anomalous: 6 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 184 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 184 #Suspicious: 1 C Shift Results: #Consistent: 792 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 2 H Shift Results: #Consistent:1218 #Duplicate: 0 #Unknown: 3 #Suspicious: 24 #Anomalous: 2 N Shift Results: #Consistent: 203 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 Error Summary: 1.L11 HD11 = -0.148(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.7386e-04 1.L11 HD12 = -0.148(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.7386e-04 1.L11 HD13 = -0.148(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.7386e-04 1.R36 NH1 = 67.855(A), Expected = 74.78, Std = 11.3800, ChiSquare = 5.4284e-01 1.V39 H = 5.771(S), Expected = 8.29, Std = 0.7100, ChiSquare = 3.8833e-04 1.V39 HB = 0.734(S), Expected = 1.99, Std = 0.3300, ChiSquare = 1.4120e-04 1.G41 H = 11.293(S), Expected = 8.34, Std = 0.7400, ChiSquare = 6.5923e-05 1.A44 H = 5.633(S), Expected = 8.20, Std = 0.6000, ChiSquare = 1.8830e-05 1.R45 CZ = 160.640(A), Expected = 159.01, Std = 0.8700, ChiSquare = 6.0991e-02 1.R50 HE = 9.546(S), Expected = 7.32, Std = 0.5200, ChiSquare = 1.8625e-05 1.M54 C = 181.282(A), Expected = 176.30, Std = 2.1300, ChiSquare = 1.9337e-02 1.K62 HZ1 = 8.937(U) 1.K62 HZ2 = 8.937(U) 1.K62 HZ3 = 8.937(U) 1.Q63 Typing: Mistyped 1.Q63 CG = 37.980(S), Expected = 33.72, Std = 1.1000, ChiSquare = 1.0762e-04 1.E98 HB2 = 1.252(S), Expected = 2.04, Std = 0.2200, ChiSquare = 3.4121e-04 1.K99 HA = 6.086(S), Expected = 4.28, Std = 0.4500, ChiSquare = 5.9867e-05 1.R100 CB = 36.523(S), Expected = 30.66, Std = 1.7700, ChiSquare = 9.2489e-04 1.I101 HG21 = -0.482(S), Expected = 0.80, Std = 0.2900, ChiSquare = 9.8386e-06 1.I101 HG22 = -0.482(S), Expected = 0.80, Std = 0.2900, ChiSquare = 9.8386e-06 1.I101 HG23 = -0.482(S), Expected = 0.80, Std = 0.2900, ChiSquare = 9.8386e-06 1.I101 HD11 = -0.344(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.0141e-04 1.I101 HD12 = -0.344(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.0141e-04 1.I101 HD13 = -0.344(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.0141e-04 1.P104 HB2 = -0.189(S), Expected = 2.05, Std = 0.3900, ChiSquare = 9.4105e-09 1.G110 HA2 = 1.802(S), Expected = 3.95, Std = 0.4000, ChiSquare = 7.8737e-08 1.R118 HG3 = 2.559(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.8793e-04 1.R118 NH1 = 69.404(A), Expected = 74.78, Std = 11.3800, ChiSquare = 6.3664e-01 1.R118 SRO Rule Break>> HD2 > HG3 : 0.998289867464728 1.C121 HG = 2.222(A), Expected = 1.66, Std = 0.4800, ChiSquare = 2.4167e-01 1.N136 HA = 6.365(A), Expected = 4.70, Std = 0.3900, ChiSquare = 1.9615e-05 1.R144 HB2 = -0.304(S), Expected = 1.79, Std = 0.2800, ChiSquare = 7.5135e-14 1.R144 HB3 = 0.580(S), Expected = 1.78, Std = 0.2800, ChiSquare = 1.8215e-05 1.D153 HB2 = 1.368(S), Expected = 2.74, Std = 0.2900, ChiSquare = 2.2338e-06 1.D153 HB3 = 1.650(S), Expected = 2.70, Std = 0.2900, ChiSquare = 2.9382e-04 1.N158 CA = 59.960(S), Expected = 53.43, Std = 1.9400, ChiSquare = 7.6272e-04 1.L169 HB2 = 0.447(S), Expected = 1.63, Std = 0.3400, ChiSquare = 5.0252e-04