Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.21 C 0.21 Q 0.2 M 0.15 R 0.07 W 0.07 E 0.04 V 0.02 C Shift Assignments>> C :: 171.064 CA :: 56.489 CG :: 33.307 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>> HA :: 4.550 HB2 :: 2.613 HB3 :: 2.613 HG2 :: 2.045 HG3 :: 2.135 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) 1.T3 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 :: 169.216 CA :: 62.558 CB :: 69.894 CG2 :: 22.040 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 :: 8.224 HA :: 4.286 HB :: 4.185 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 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 :: 115.064 Ave N Shift Values>> N :: 115.7(5.05) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.1 K 0.1 Q 0.1 C 0.09 E 0.09 W 0.08 M 0.08 Y 0.07 F 0.06 L 0.06 S 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 170.911 CA :: 56.894 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.392 HA :: 4.253 HB2 :: 1.893 HB3 :: 2.011 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.856 Ave N Shift Values>> N :: 120.68(3.68) 1.E5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 170.950 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.343 HA :: 4.277 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.649 Ave N Shift Values>> N :: 120.68(3.68) 1.Q6 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.D84 1.D84 C Shift Assignments>> C :: 168.309(A) 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 :: 8.513 HA :: 4.249 HB2 :: 2.017 HB3 :: 2.227 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 :: 121.453 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD2 :: 3.537 HD3 :: 3.537 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.V8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.92 L 0.06 C Shift Assignments>> C :: 176.533 CB :: 30.152 CG1 :: 23.249 CG2 :: 22.084 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 :: 10.715(S) HA :: 3.737 HB :: 1.428 HG11 :: 0.362 HG12 :: 0.362 HG13 :: 0.362 HG21 :: -0.228(S) HG22 :: -0.228(S) HG23 :: -0.228(S) 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 :: 124.328 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 0.58 A 0.31 I 0.04 C 0.03 C Shift Assignments>> C :: 175.386 CA :: 55.429 CB :: 18.112 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.681 HA :: 3.868 HB1 :: 1.333 HB2 :: 1.333 HB3 :: 1.333 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.527 Ave N Shift Values>> N :: 123.23(3.7) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.704 CA :: 61.661 CB :: 61.535 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.956 HA :: 4.163 HB2 :: 3.956 HB3 :: 3.956 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 :: 113.594 Ave N Shift Values>> N :: 116.3(3.95) 1.W11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 172.113 CA :: 57.557 CB :: 30.389 CD1 :: 125.876 CE3 :: 121.190 CZ2 :: 115.274 CZ3 :: 120.883 CH2 :: 124.502 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.930 HA :: 4.549 HB2 :: 3.437 HB3 :: 3.628 HD1 :: 6.979 HE1 :: 10.204 HE3 :: 7.790 HZ2 :: 7.289 HZ3 :: 7.203 HH2 :: 6.905 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 :: 121.878 NE1 :: 128.705 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 C 0.02 HN Overlap>> 1.L73 1.L73 C Shift Assignments>> C :: 172.069 CA :: 52.770 CB :: 19.370 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.328 HA :: 4.220 HB1 :: 1.496 HB2 :: 1.496 HB3 :: 1.496 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.382 Ave N Shift Values>> N :: 123.23(3.7) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.1 C 0.1 K 0.1 E 0.09 W 0.09 Q 0.09 Y 0.08 M 0.07 F 0.07 L 0.05 S 0.05 D 0.02 I 0.01 HN Overlap>> 1.Q105 1.Q105 C Shift Assignments>> C :: 172.953 CA :: 57.123 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 :: 7.945 HA :: 4.249 HB2 :: 2.000 HB3 :: 2.000 HG :: 1.731 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.879 HD22 :: 0.879 HD23 :: 0.879 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 :: 119.179 Ave N Shift Values>> N :: 121.98(4.07) 1.S14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 168.313(S) CA :: 57.623 CB :: 64.968 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.040 HA :: 4.574 HB2 :: 4.037 HB3 :: 4.153 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 :: 109.911 Ave N Shift Values>> N :: 116.3(3.95) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 171.391 CA :: 57.011 CB :: 38.936 CD1 :: 131.067 CD2 :: 131.067 CE1 :: 130.137 CE2 :: 130.137 CZ :: 129.079 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 :: 8.962 HA :: 3.625 HB2 :: 1.970 HB3 :: 2.108 HD1 :: 5.852 HD2 :: 5.852 HE1 :: 6.066 HE2 :: 6.066 HZ :: 6.748 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 :: 124.685 Ave N Shift Values>> N :: 120.69(4.18) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.26 E 0.06 C Shift Assignments>> C :: 173.425 CA :: 61.582 CB :: 28.685 CG :: 38.153 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 :: 9.383 HA :: 3.434 HB2 :: 1.764 HB3 :: 1.921 HG2 :: 2.127 HG3 :: 2.465 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 :: 115.849 Ave N Shift Values>> N :: 120.68(3.68) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.15 K 0.14 C 0.14 Q 0.13 R 0.12 I 0.07 M 0.03 V 0.01 L 0.01 HN Overlap>> 1.D116 1.E134 1.D116 1.E134 C Shift Assignments>> C :: 173.668 CA :: 58.292 CB :: 29.320 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 :: 7.531 HA :: 3.925 HB2 :: 1.924 HB3 :: 2.053 HD2 :: 3.237 HD3 :: 3.303 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.492 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.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.38 R 0.09 K 0.01 C Shift Assignments>> C :: 171.666 CA :: 59.480 CB :: 41.266 CG :: 27.403 CD1 :: 25.963 CD2 :: 25.920 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 :: 7.214 HA :: 3.718 HB2 :: 1.879 HB3 :: 1.879 HG :: 0.761 HD11 :: 0.475 HD12 :: 0.475 HD13 :: 0.475 HD21 :: 0.228 HD22 :: 0.228 HD23 :: 0.228 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 :: 120.636 Ave N Shift Values>> N :: 121.98(4.07) 1.L19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 L 0.41 A 0.06 G 0.01 C Shift Assignments>> C :: 172.840 CA :: 56.965 CB :: 41.779 CG :: 25.700 CD1 :: 21.499 CD2 :: 23.890 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 :: 7.299 HA :: 3.317 HB2 :: 0.809 HB3 :: 1.015 HG :: 0.358(S) HD11 :: -0.212(S) HD12 :: -0.212(S) HD13 :: -0.212(S) HD21 :: -1.027(S) HD22 :: -1.027(S) HD23 :: -1.027(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 112.565 Ave N Shift Values>> N :: 121.98(4.07) 1.Q20 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 L 0.1 Q 0.1 K 0.09 R 0.09 C 0.08 E 0.06 W 0.06 Y 0.05 D 0.05 F 0.05 S 0.03 N 0.02 A 0.01 C Shift Assignments>> C :: 170.097(A) CA :: 56.127 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 :: 7.225 HA :: 4.095 HB2 :: 2.003 HB3 :: 2.136 HE21 :: 6.978 HE22 :: 6.627 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 :: 113.233 NE2 :: 109.612 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.15 C 0.11 D 0.08 R 0.07 N 0.01 C Shift Assignments>> CA :: 50.896 CB :: 43.742 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 :: 7.465 HA :: 5.100 HB2 :: 2.717 HB3 :: 3.028 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.653 Ave N Shift Values>> N :: 120.73(4.2) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 C Shift Assignments>> C :: 172.811 CA :: 65.762 CD :: 50.905 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 :: 4.231 HB2 :: 2.021 HB3 :: 2.401 HG2 :: 2.083 HG3 :: 2.196 HD2 :: 4.102 HD3 :: 3.997 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.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.29 K 0.06 G 0.04 R 0.01 C Shift Assignments>> C :: 173.115 CA :: 57.581 CB :: 42.750 CD1 :: 25.187 CD2 :: 25.157 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 :: 8.349 HA :: 4.373 HB2 :: 2.050 HB3 :: 2.050 HG :: 2.024 HD11 :: 1.157 HD12 :: 1.157 HD13 :: 1.157 HD21 :: 1.156 HD22 :: 1.156 HD23 :: 1.156 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 :: 119.759 Ave N Shift Values>> N :: 121.98(4.07) 1.G24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 170.448 CA :: 46.585 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.752 HA2 :: 1.733(S) HA3 :: 2.348(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.004 Ave N Shift Values>> N :: 109.91(4.29) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 K 0.04 C Shift Assignments>> C :: 175.092 CA :: 58.440 CB :: 41.761 CD1 :: 24.735 CD2 :: 24.597 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 :: 8.730 HA :: 3.739 HB2 :: 1.686 HB3 :: 1.686 HD11 :: 0.927 HD12 :: 0.927 HD13 :: 0.927 HD21 :: 1.103 HD22 :: 1.103 HD23 :: 1.103 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 :: 122.465 Ave N Shift Values>> N :: 121.98(4.07) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 L 0.11 Q 0.1 K 0.09 R 0.09 C 0.08 W 0.06 E 0.06 D 0.06 Y 0.05 F 0.05 S 0.02 N 0.02 A 0.02 C Shift Assignments>> C :: 175.839 CA :: 56.030 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.816 HA :: 4.097 HB1 :: 1.537 HB2 :: 1.537 HB3 :: 1.537 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.050 Ave N Shift Values>> N :: 123.23(3.7) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Y 0.47 C Shift Assignments>> C :: 172.504 CA :: 64.882 CB :: 38.867 CE1 :: 119.175 CE2 :: 119.175 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 :: 8.664 HA :: 4.046 HB2 :: 3.098 HB3 :: 3.238 HD1 :: 7.466 HD2 :: 7.466 HE1 :: 6.958 HE2 :: 6.958 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.133 Ave N Shift Values>> N :: 120.79(4.69) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.34 C 0.21 C Shift Assignments>> C :: 171.713 CA :: 60.345 CB :: 40.407 CD1 :: 131.389 CD2 :: 131.389 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 :: 8.968 HA :: 3.719 HB2 :: 2.476 HB3 :: 2.645 HD1 :: 6.485 HD2 :: 6.485 HE1 :: 7.259 HE2 :: 7.259 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 :: 121.107 Ave N Shift Values>> N :: 120.69(4.18) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 170.178 CA :: 68.338 CB :: 68.498 CG2 :: 20.961 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 :: 8.424 HA :: 4.337 HB :: 3.520 HG21 :: 1.108 HG22 :: 1.108 HG23 :: 1.108 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 :: 115.272 Ave N Shift Values>> N :: 115.7(5.05) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 K 0.16 W 0.13 E 0.13 I 0.1 C 0.09 R 0.08 M 0.01 P 0.01 V 0.01 L 0.01 C Shift Assignments>> C :: 173.032 CB :: 29.158 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 :: 7.646 HA :: 3.935 HB2 :: 2.101 HB3 :: 2.194 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.806 Ave N Shift Values>> N :: 120.68(3.68) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.39 C 0.17 HN Overlap>> 1.I109 1.I109 C Shift Assignments>> C :: 172.281 CA :: 62.102 CB :: 40.224 CD1 :: 132.281 CD2 :: 132.281 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 :: 8.165 HA :: 4.161 HB2 :: 3.408 HB3 :: 3.516 HD1 :: 6.691 HD2 :: 6.691 HE1 :: 7.212 HE2 :: 7.212 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 :: 120.655 Ave N Shift Values>> N :: 120.69(4.18) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.24 R 0.11 A 0.02 C Shift Assignments>> C :: 175.396 CA :: 57.398 CB :: 41.104 CG :: 26.090 CD1 :: 22.174 CD2 :: 27.265 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 :: 8.212 HA :: 3.700 HB2 :: 1.653 HB3 :: 0.892 HG :: 1.067 HD11 :: 0.672 HD12 :: 0.672 HD13 :: 0.672 HD21 :: 0.496 HD22 :: 0.496 HD23 :: 0.496 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 :: 118.095 Ave N Shift Values>> N :: 121.98(4.07) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 C 0.21 W 0.12 K 0.1 R 0.08 M 0.07 E 0.06 P 0.04 Q 0.04 I 0.03 C Shift Assignments>> C :: 175.361 CA :: 60.095 CB :: 32.387 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 :: 8.736 HA :: 3.876 HB2 :: 1.796 HB3 :: 1.886 HD2 :: 1.583 HD3 :: 1.583 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 :: 121.656 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.22 M 0.01 C Shift Assignments>> C :: 171.148 CA :: 58.217 CB :: 32.222 CG :: 25.394 CD :: 28.960 CE :: 42.140 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 :: 7.429 HA :: 3.795 HB2 :: 1.823 HB3 :: 1.823 HG2 :: 1.461 HG3 :: 1.593 HD2 :: 1.656 HD3 :: 1.656 HE2 :: 2.994 HE3 :: 3.049 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 :: 118.307 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 K 0.11 M 0.1 Q 0.08 I 0.01 C Shift Assignments>> C :: 169.724(S) CA :: 54.827 CB :: 29.905 CG :: 35.946 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 :: 6.976 HA :: 4.366 HB2 :: 1.913 HB3 :: 1.816 HG2 :: 1.823 HG3 :: 1.936 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 :: 113.488 Ave N Shift Values>> N :: 120.68(3.68) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Y 0.38 F 0.2 C Shift Assignments>> C :: 170.488 CA :: 59.188 CB :: 36.370 CD1 :: 132.281 CD2 :: 132.281 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 :: 7.419 HA :: 4.321 HB2 :: 3.206 HB3 :: 3.350 HD1 :: 7.188 HD2 :: 7.188 HE1 :: 7.336 HE2 :: 7.336 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 :: 117.617 Ave N Shift Values>> N :: 120.69(4.18) 1.S37 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 :: 170.366 CA :: 57.629 CB :: 65.151 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.076 HA :: 5.152 HB2 :: 3.864 HB3 :: 3.822 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 :: 111.753 Ave N Shift Values>> N :: 116.3(3.95) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.03 C 0.03 C Shift Assignments>> C :: 172.850 CA :: 55.076 CB :: 18.260 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.446 HA :: 3.952 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 :: 123.363 Ave N Shift Values>> N :: 123.23(3.7) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 C 0.15 R 0.13 W 0.12 K 0.09 Q 0.08 E 0.08 L 0.03 P 0.02 C Shift Assignments>> C :: 171.770 CA :: 59.880 CB :: 27.915 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 :: 10.326 HA :: 4.369 HB2 :: 2.022 HB3 :: 2.149 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.314 Ave N Shift Values>> N :: 120.68(3.68) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.22 C 0.2 D 0.09 I 0.06 N 0.05 L 0.05 E 0.03 C Shift Assignments>> C :: 171.565 CA :: 56.854 CB :: 39.136 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 :: 7.752 HA :: 4.535 HB2 :: 2.783 HB3 :: 2.903 HD21 :: 7.446 HD22 :: 7.031 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 :: 117.917 ND2 :: 109.300 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.09 C Shift Assignments>> C :: 171.519 CA :: 64.574 CB :: 32.458 CG1 :: 21.474 CG2 :: 21.115 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 :: 6.990 HA :: 4.215 HB :: 2.095 HG11 :: 1.133 HG12 :: 1.133 HG13 :: 1.133 HG21 :: 1.113 HG22 :: 1.113 HG23 :: 1.113 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 :: 118.189 Ave N Shift Values>> N :: 121.02(4.96) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 66.887 CB :: 68.021 CG2 :: 23.311 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 :: 8.214 HA :: 3.944 HB :: 4.346 HG21 :: 1.456 HG22 :: 1.456 HG23 :: 1.456 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 :: 120.545 Ave N Shift Values>> N :: 115.7(5.05) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.38 C 0.2 C Shift Assignments>> C :: 171.122 CA :: 60.855 CB :: 39.363 CD1 :: 131.809 CD2 :: 131.809 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 :: 8.504 HA :: 3.137 HB2 :: 2.297 HB3 :: 2.758 HD1 :: 6.606 HD2 :: 6.606 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 :: 123.804 Ave N Shift Values>> N :: 120.69(4.18) 1.W44 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.48 HN Overlap>> 1.L131 1.L131 C Shift Assignments>> C :: 172.546 CA :: 64.992 CB :: 29.546 CD1 :: 124.612 CE3 :: 119.614 CZ2 :: 115.203 CZ3 :: 122.652 CH2 :: 125.745 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 :: 8.068 HA :: 3.333 HB2 :: 3.644 HB3 :: 3.318 HD1 :: 7.172 HE1 :: 10.671 HE3 :: 7.246 HZ2 :: 7.114 HZ3 :: 6.890 HH2 :: 6.909 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 :: 121.009 NE1 :: 130.475 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) SRO Rule Breaks>> (HA > HB2 : 0.9942) 1.K45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.16 M 0.01 C Shift Assignments>> C :: 173.172 CA :: 58.880 CB :: 32.775 CG :: 25.170 CD :: 28.883 CE :: 41.899 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 :: 8.783 HA :: 3.491 HB2 :: 1.959 HB3 :: 1.959 HG2 :: 1.707 HG3 :: 1.793 HD2 :: 0.718(S) HD3 :: 1.484 HE2 :: 2.936 HE3 :: 2.936 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.583 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.31 I 0.04 C 0.03 C Shift Assignments>> C :: 176.082 CA :: 55.371 CB :: 17.959 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.023 HA :: 4.068 HB1 :: 1.422 HB2 :: 1.422 HB3 :: 1.422 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.550 Ave N Shift Values>> N :: 123.23(3.7) 1.C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.47 I 0.43 C 0.05 V 0.02 HN Overlap>> 1.R66 1.R66 C Shift Assignments>> C :: 171.053 CA :: 64.338 CB :: 26.034 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.703 HA :: 3.680 HB2 :: 2.188 HB3 :: 2.311 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 :: 117.309 Ave N Shift Values>> N :: 119.95(4.79) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 F 0.12 Y 0.11 W 0.1 C 0.1 E 0.08 R 0.06 K 0.05 Q 0.04 M 0.04 I 0.04 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 173.270 CA :: 58.639 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 :: 7.592 HA :: 3.716 HB2 :: 1.487 HB3 :: 1.487 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 :: 123.144 Ave N Shift Values>> N :: 120.68(3.68) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.36 K 0.19 M 0.02 P 0.02 HN Overlap>> 1.E134 1.E134 C Shift Assignments>> C :: 174.133 CA :: 58.998 CB :: 30.509 CG :: 27.852 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 :: 7.602 HA :: 3.957 HB2 :: 1.808 HB3 :: 1.808 HG2 :: 1.498 HG3 :: 1.498 HD2 :: 3.191 HD3 :: 3.191 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.655 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.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 F 0.35 C 0.19 C Shift Assignments>> C :: 170.808 CA :: 61.594 CB :: 40.760 CD1 :: 132.619 CD2 :: 132.619 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 :: 8.187 HA :: 3.961 HB2 :: 3.119 HB3 :: 3.245 HD1 :: 7.246 HD2 :: 7.246 HE1 :: 7.660 HE2 :: 7.660 HZ :: 7.122 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 :: 123.407 Ave N Shift Values>> N :: 120.69(4.18) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 E 0.19 M 0.15 K 0.13 Q 0.13 Y 0.04 V 0.02 W 0.02 I 0.01 R 0.01 F 0.01 C Shift Assignments>> C :: 171.284 CA :: 57.097 CG :: 34.956 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 :: 7.664 HA :: 4.319 HB2 :: 2.050 HB3 :: 2.111 HG2 :: 2.609 HG3 :: 2.397 HE21 :: 6.946 HE22 :: 7.650 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 :: 111.886 NE2 :: 111.734 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.17 C 0.14 W 0.13 R 0.12 E 0.12 M 0.05 L 0.04 I 0.01 C Shift Assignments>> C :: 171.207 CA :: 55.150 CB :: 29.110 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 :: 7.322 HA :: 4.213 HB2 :: 1.943 HB3 :: 2.248 HG2 :: 2.337 HG3 :: 2.451 HE21 :: 7.626 HE22 :: 6.938 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 :: 116.915 NE2 :: 112.585 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 169.008(S) CA :: 61.049 CB :: 38.901 CG2 :: 17.100 CD1 :: 15.185 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 :: 7.632 HA :: 3.953 HB :: 1.515 HG12 :: 1.730 HG13 :: 1.730 HG21 :: 0.828 HG22 :: 0.828 HG23 :: 0.828 HD11 :: 0.632 HD12 :: 0.632 HD13 :: 0.632 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 :: 126.563 Ave N Shift Values>> N :: 121.6(4.72) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 172.317 CA :: 63.515 CB :: 32.661 CD :: 51.372 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 :: 4.201 HB2 :: 1.819 HB3 :: 2.327 HG2 :: 1.947 HG3 :: 1.947 HD2 :: 3.635 HD3 :: 3.974 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.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.44 C 0.03 I 0.02 HN Overlap>> 1.A135 1.A135 C Shift Assignments>> C :: 172.284 CA :: 54.791 CB :: 18.466 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.585 HA :: 3.765 HB1 :: 1.365 HB2 :: 1.365 HB3 :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.708 Ave N Shift Values>> N :: 123.23(3.7) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.286 CA :: 58.575 CB :: 63.415 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.628 HA :: 4.240 HB2 :: 3.800 HB3 :: 4.056 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 :: 106.063 Ave N Shift Values>> N :: 116.3(3.95) 1.D57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.2 C 0.14 Y 0.05 F 0.04 L 0.03 C Shift Assignments>> C :: 170.365(S) CA :: 52.302 CB :: 38.982 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 :: 7.973 HA :: 4.948 HB2 :: 2.370 HB3 :: 3.084 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 :: 125.808 Ave N Shift Values>> N :: 120.73(4.2) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 171.928 CA :: 66.107 CB :: 68.669 CG2 :: 22.788 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 :: 7.875 HA :: 3.752 HB :: 4.183 HG21 :: 1.322 HG22 :: 1.322 HG23 :: 1.322 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 :: 114.968 Ave N Shift Values>> N :: 115.7(5.05) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 Q 0.16 I 0.15 R 0.1 W 0.09 C 0.08 E 0.08 P 0.05 L 0.03 M 0.01 C Shift Assignments>> C :: 173.067 CB :: 28.517 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 :: 8.794 HA :: 4.181 HB2 :: 2.143 HB3 :: 2.143 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 :: 121.115 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 Q 0.25 K 0.25 I 0.09 M 0.03 P 0.01 R 0.01 C Shift Assignments>> C :: 173.272 CB :: 28.911 CG :: 34.972 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 :: 7.769 HA :: 4.122 HB2 :: 1.790 HB3 :: 2.127 HG2 :: 2.568 HG3 :: 2.568 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 :: 121.085 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.27 L 0.23 G 0.11 K 0.01 C Shift Assignments>> C :: 173.333 CA :: 58.344 CB :: 43.424 CG :: 26.866 CD1 :: 27.473 CD2 :: 25.801 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 :: 8.379 HA :: 3.957 HB2 :: 1.182 HB3 :: 1.811 HG :: 1.621 HD11 :: 0.587 HD12 :: 0.587 HD13 :: 0.587 HD21 :: 0.217 HD22 :: 0.217 HD23 :: 0.217 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 :: 118.324 Ave N Shift Values>> N :: 121.98(4.07) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.25 I 0.06 C 0.04 V 0.01 C Shift Assignments>> C :: 175.315 CA :: 55.976 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 :: 8.121 HA :: 4.032 HB1 :: 1.563 HB2 :: 1.563 HB3 :: 1.563 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.883 Ave N Shift Values>> N :: 123.23(3.7) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.2 E 0.19 K 0.18 M 0.05 I 0.04 R 0.02 HN Overlap>> 1.R128 1.R128 C Shift Assignments>> C :: 173.532 CA :: 59.295 CB :: 29.639 CG :: 34.303 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 :: 7.961 HA :: 4.096 HB2 :: 2.181 HB3 :: 2.293 HG2 :: 2.414 HG3 :: 2.414 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 :: 117.570 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 I 0.19 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 173.805 CA :: 58.520 CB :: 29.014 CG :: 36.609 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.838 HA :: 4.589 HB2 :: 2.291 HB3 :: 2.449 HG2 :: 2.611 HG3 :: 2.611 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.968 Ave N Shift Values>> N :: 120.68(3.68) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.28 I 0.04 C 0.04 V 0.02 HN Overlap>> 1.N82 1.N82 C Shift Assignments>> C :: 174.435 CA :: 55.798 CB :: 18.848 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.100 HA :: 4.060 HB1 :: 1.714 HB2 :: 1.714 HB3 :: 1.714 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.476 Ave N Shift Values>> N :: 123.23(3.7) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.29 K 0.15 G 0.08 I 0.07 L 0.04 HN Overlap>> 1.V93 1.C47 1.V93 1.C47 C Shift Assignments>> C :: 172.856 CA :: 59.912 CB :: 29.000 CD :: 43.229 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 :: 7.666 HA :: 4.050 HB2 :: 2.048 HB3 :: 2.051 HD2 :: 3.234 HD3 :: 3.234 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.229 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.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.22 F 0.15 E 0.12 N 0.07 I 0.05 D 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 172.957 CA :: 56.548 CB :: 37.939 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 :: 7.933 HA :: 4.532 HB2 :: 3.003 HB3 :: 3.074 HD21 :: 6.915 HD22 :: 6.915 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 :: 118.446 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 172.750 CA :: 66.146 CB :: 38.544 CG1 :: 31.300 CG2 :: 17.271 CD1 :: 14.086 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.326 HA :: 3.818 HB :: 1.526 HG12 :: 0.788 HG13 :: 1.978 HG21 :: 0.212 HG22 :: 0.212 HG23 :: 0.212 HD11 :: 0.449 HD12 :: 0.449 HD13 :: 0.449 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 :: 122.215 Ave N Shift Values>> N :: 121.6(4.72) 1.Y69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 172.478 CA :: 62.560 CB :: 40.395 CD1 :: 133.500 CD2 :: 133.500 CE1 :: 118.661 CE2 :: 118.661 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 :: 8.718 HA :: 3.972 HB2 :: 3.334 HB3 :: 3.197 HD1 :: 7.045 HD2 :: 7.045 HE1 :: 6.932 HE2 :: 6.932 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.658 Ave N Shift Values>> N :: 120.79(4.69) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.2 K 0.19 Q 0.19 I 0.05 M 0.02 R 0.02 C Shift Assignments>> C :: 172.043 CA :: 58.832 CB :: 28.940 CG :: 34.663 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 :: 8.991 HA :: 3.825 HB2 :: 2.260 HB3 :: 2.093 HG2 :: 2.572 HG3 :: 2.623 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 :: 117.226 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.09 M 0.08 Q 0.07 K 0.07 C Shift Assignments>> C :: 171.215 CA :: 59.365 CB :: 30.507 CG :: 35.545 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 :: 7.863 HA :: 3.826 HB2 :: 1.678 HB3 :: 1.123(S) HG2 :: 1.024(S) HG3 :: 1.448(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.162 Ave N Shift Values>> N :: 120.68(3.68) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Y 0.31 G 0.21 F 0.1 C Shift Assignments>> C :: 170.754 CA :: 58.762 CB :: 43.518 CD1 :: 133.550 CD2 :: 133.550 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 :: 7.732 HA :: 4.995 HB2 :: 2.771 HB3 :: 2.575 HD1 :: 7.665 HD2 :: 7.665 HE1 :: 7.318 HE2 :: 7.318 HZ :: 7.170 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 :: 110.139 Ave N Shift Values>> N :: 120.69(4.18) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.27 C 0.23 R 0.03 A 0.03 HN Overlap>> 1.A12 1.A12 C Shift Assignments>> C :: 170.981 CA :: 55.708 CB :: 45.057 CG :: 26.663 CD1 :: 26.648 CD2 :: 22.639 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 :: 7.314 HA :: 4.430 HB2 :: 1.275 HB3 :: 1.540 HG :: 1.271 HD11 :: 0.468 HD12 :: 0.468 HD13 :: 0.468 HD21 :: 0.258 HD22 :: 0.258 HD23 :: 0.258 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 :: 115.369 Ave N Shift Values>> N :: 121.98(4.07) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R120 1.R120 C Shift Assignments>> C :: 170.195 CA :: 57.879 CB :: 63.853 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.646 HA :: 4.000 HB2 :: 3.009 HB3 :: 3.632 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 :: 114.508 Ave N Shift Values>> N :: 116.3(3.95) 1.S75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 170.031 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.014 HA :: 4.179 HB2 :: 3.987 HB3 :: 3.987 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.219 Ave N Shift Values>> N :: 116.3(3.95) 1.Q76 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.26 K 0.24 E 0.12 M 0.04 R 0.04 C Shift Assignments>> C :: 169.860(A) CA :: 54.667 CB :: 28.778 CG :: 34.346 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 :: 8.023 HA :: 4.478 HB2 :: 1.729 HB3 :: 2.251 HG2 :: 2.255 HG3 :: 2.255 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 :: 119.438 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.02 C Shift Assignments>> C :: 172.314 CA :: 52.617 CB :: 18.678 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.087 HA :: 4.011 HB1 :: 0.998 HB2 :: 0.998 HB3 :: 0.998 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.585 Ave N Shift Values>> N :: 123.23(3.7) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.31 G 0.04 K 0.01 C Shift Assignments>> C :: 172.986 CA :: 57.139 CB :: 42.696 CD1 :: 23.416 CD2 :: 24.649 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 :: 7.558 HA :: 4.113 HB2 :: 1.553 HB3 :: 1.660 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 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 :: 121.309 Ave N Shift Values>> N :: 121.98(4.07) 1.S79 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 182.485(A) CA :: 54.336 CB :: 64.515 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.288 HA :: 4.762 HB2 :: 3.688 HB3 :: 3.688 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 :: 113.632 Ave N Shift Values>> N :: 116.3(3.95) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 C 0.01 C Shift Assignments>> C :: 172.853 CA :: 62.874 CD :: 50.066 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 :: 4.328 HB2 :: 1.785 HB3 :: 2.260 HG2 :: 1.876 HG3 :: 1.975 HD2 :: 3.202 HD3 :: 3.469 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.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.33 I 0.01 HN Overlap>> 1.V122 1.V122 C Shift Assignments>> C :: 171.229 CA :: 59.874 CB :: 33.571 CG1 :: 22.607 CG2 :: 18.546 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 :: 7.475 HA :: 4.461 HB :: 1.775 HG11 :: 0.697 HG12 :: 0.697 HG13 :: 0.697 HG21 :: 0.208 HG22 :: 0.208 HG23 :: 0.208 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 :: 114.376 Ave N Shift Values>> N :: 121.02(4.96) 1.N82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.23 Y 0.08 D 0.07 E 0.05 F 0.05 M 0.03 L 0.01 HN Overlap>> 1.A65 1.A65 C Shift Assignments>> C :: 169.063(S) CA :: 53.254 CB :: 37.515 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 :: 9.110 HA :: 4.776 HB2 :: 2.657 HB3 :: 2.887 HD21 :: 7.472 HD22 :: 6.864 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 :: 111.639 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 C Shift Assignments>> C :: 170.227 CA :: 59.591 CB :: 40.911 CG1 :: 26.242 CG2 :: 19.737 CD1 :: 14.417 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 :: 7.546 HA :: 4.401 HB :: 1.934 HG12 :: 1.115 HG13 :: 0.786 HG21 :: 0.761 HG22 :: 0.761 HG23 :: 0.761 HD11 :: 0.567 HD12 :: 0.567 HD13 :: 0.567 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 :: 116.088 Ave N Shift Values>> N :: 121.6(4.72) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.2 K 0.15 C 0.11 F 0.09 Y 0.08 N 0.06 R 0.04 HN Overlap>> 1.Q6 1.Q6 C Shift Assignments>> C :: 171.958 CA :: 54.945 CB :: 41.290 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 :: 8.492 HA :: 4.566 HB2 :: 2.693 HB3 :: 2.843 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 :: 121.526 Ave N Shift Values>> N :: 120.73(4.2) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.11 G 0.08 C Shift Assignments>> C :: 172.138 CA :: 57.135 CB :: 30.212 CG :: 28.072 CD :: 43.489 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 :: 8.719 HA :: 4.208 HB2 :: 1.739 HB3 :: 2.058 HG2 :: 1.424 HG3 :: 1.424 HD2 :: 3.215 HD3 :: 3.215 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.202 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.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.12 Y 0.11 S 0.11 W 0.1 C 0.1 E 0.08 R 0.07 K 0.06 Q 0.05 M 0.04 I 0.02 L 0.02 V 0.02 T 0.01 HN Overlap>> 1.L107 1.L107 C Shift Assignments>> C :: 171.537 CA :: 58.284 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 :: 8.497 HA :: 4.136 HB2 :: 2.088 HB3 :: 2.139 HG2 :: 2.413 HG3 :: 2.413 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 :: 120.070 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.21 C 0.02 C Shift Assignments>> C :: 171.775 CA :: 52.520 CB :: 18.853 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.189 HA :: 4.316 HB1 :: 1.241 HB2 :: 1.241 HB3 :: 1.241 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.523 Ave N Shift Values>> N :: 123.23(3.7) 1.W88 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> C :: 170.488(A) CA :: 56.903 CB :: 30.373 CD1 :: 127.186 CE3 :: 121.279 CZ2 :: 114.920 CZ3 :: 122.291 CH2 :: 125.455 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.645 HA :: 4.765 HB2 :: 3.420 HB3 :: 3.228 HD1 :: 7.215 HE1 :: 10.118 HE3 :: 7.686 HZ2 :: 7.496 HZ3 :: 7.074 HH2 :: 7.090 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 :: 119.182 NE1 :: 128.448 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.28 C 0.12 G 0.11 D 0.06 F 0.04 K 0.04 Y 0.03 C Shift Assignments>> C :: 171.888 CA :: 55.672 CB :: 43.795 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 :: 7.867 HA :: 4.303 HB2 :: 1.518 HB3 :: 1.518 HG :: 1.660 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 HD21 :: 0.860 HD22 :: 0.860 HD23 :: 0.860 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.833 Ave N Shift Values>> N :: 121.98(4.07) 1.G90 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 :: 168.597 CA :: 45.400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.330 HA2 :: 3.933 HA3 :: 3.800 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.945 Ave N Shift Values>> N :: 109.91(4.29) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 I 0.19 K 0.04 M 0.03 C Shift Assignments>> C :: 172.861 CA :: 58.696 CB :: 29.966 CG :: 37.009 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.590 HA :: 3.597 HB2 :: 1.964 HB3 :: 1.964 HG2 :: 2.206 HG3 :: 2.206 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.777 Ave N Shift Values>> N :: 120.68(3.68) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.28 I 0.12 Y 0.09 N 0.08 M 0.04 F 0.03 K 0.01 V 0.01 C Shift Assignments>> C :: 173.073 CG :: 36.530 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.923 HA :: 4.066 HB2 :: 2.001 HB3 :: 2.001 HG2 :: 2.232 HG3 :: 2.232 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 :: 120.629 Ave N Shift Values>> N :: 120.68(3.68) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 V 0.38 C 0.07 I 0.06 W 0.02 HN Overlap>> 1.R66 1.R66 C Shift Assignments>> C :: 171.096 CA :: 64.021 CB :: 31.753 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 :: 7.599 HA :: 3.887 HB :: 2.028 HG11 :: 0.859 HG12 :: 0.859 HG13 :: 0.859 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 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 :: 117.228 Ave N Shift Values>> N :: 121.02(4.96) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.32 A 0.04 R 0.04 C Shift Assignments>> C :: 171.296 CA :: 55.231 CB :: 41.263 CG :: 27.048 CD1 :: 22.775 CD2 :: 25.348 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 :: 7.475 HA :: 3.901 HB2 :: 1.502 HB3 :: 1.623 HG :: 1.275 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 HD21 :: 0.591 HD22 :: 0.591 HD23 :: 0.591 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 :: 117.790 Ave N Shift Values>> N :: 121.98(4.07) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.42 C 0.04 L 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 172.529 CA :: 54.580 CB :: 19.259 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.281 HA :: 4.048 HB1 :: 1.439 HB2 :: 1.439 HB3 :: 1.439 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.066 Ave N Shift Values>> N :: 123.23(3.7) 1.E96 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.31 M 0.14 K 0.05 Q 0.03 I 0.01 C Shift Assignments>> C :: 166.914(A) CA :: 53.618 CB :: 30.409 CG :: 36.450 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 :: 7.711 HA :: 4.621 HB2 :: 1.804 HB3 :: 1.984 HG2 :: 2.125 HG3 :: 2.125 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 :: 116.302 Ave N Shift Values>> N :: 120.68(3.68) 1.P97 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 170.787(A) CA :: 63.607 CB :: 32.891 CG :: 27.920 CD :: 50.326 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 :: 4.503 HB2 :: 1.837 HB3 :: 1.997 HG2 :: 1.837 HG3 :: 2.037 HD2 :: 3.541 HD3 :: 3.601 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.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.35 G 0.14 K 0.1 C Shift Assignments>> C :: 169.675 CA :: 54.168 CB :: 32.773 CG :: 26.899 CD :: 43.584 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 :: 8.105 HA :: 4.986 HB2 :: 1.726 HB3 :: 2.017 HG2 :: 1.643 HG3 :: 1.750 HD2 :: 3.239 HD3 :: 3.239 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 :: 120.023 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.P99 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 170.088(A) CA :: 65.750 CB :: 32.487 CD :: 50.674 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 :: 4.039 HB2 :: 1.909 HB3 :: 2.425 HD2 :: 3.760 HD3 :: 3.760 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.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.19 L 0.14 C 0.11 F 0.07 Y 0.06 K 0.05 C Shift Assignments>> C :: 174.773 CA :: 53.573 CB :: 40.590 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 :: 7.855 HA :: 4.858 HB2 :: 2.649 HB3 :: 2.982 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 :: 110.399 Ave N Shift Values>> N :: 120.73(4.2) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.14 Q 0.13 V 0.13 M 0.11 E 0.07 W 0.05 R 0.03 I 0.01 Y 0.01 C Shift Assignments>> C :: 170.039 CA :: 59.291 CB :: 33.882 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 :: 7.856 HA :: 4.104 HB2 :: 1.807 HB3 :: 2.262 HG2 :: 2.568 HG3 :: 2.568 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 :: 118.192 Ave N Shift Values>> N :: 120.1(3.88) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 171.277 CA :: 56.959 CB :: 40.542 CD1 :: 132.124 CD2 :: 132.124 CE1 :: 131.172 CE2 :: 131.172 CZ :: 128.287 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 :: 9.311 HA :: 5.578 HB2 :: 2.602 HB3 :: 3.629 HD1 :: 6.789 HD2 :: 6.789 HE1 :: 6.391 HE2 :: 6.391 HZ :: 7.036 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 :: 119.042 Ave N Shift Values>> N :: 120.69(4.18) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 C 0.17 E 0.12 R 0.12 V 0.11 I 0.09 Q 0.06 K 0.05 M 0.04 P 0.02 C Shift Assignments>> C :: 172.947 CA :: 59.986 CB :: 30.651 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 :: 7.665 HA :: 4.005 HB2 :: 1.963 HB3 :: 1.963 HG2 :: 1.759 HG3 :: 1.759 HD2 :: 2.979 HD3 :: 2.979 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.397 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.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 I 0.38 A 0.2 V 0.01 C Shift Assignments>> C :: 175.769 CB :: 17.589 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.907 HA :: 4.213 HB1 :: 1.486 HB2 :: 1.486 HB3 :: 1.486 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.173 Ave N Shift Values>> N :: 123.23(3.7) 1.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 T 0.15 V 0.14 F 0.08 C 0.07 Y 0.07 S 0.07 W 0.05 P 0.03 E 0.02 R 0.02 K 0.01 Q 0.01 M 0.01 HN Overlap>> 1.L13 1.L13 C Shift Assignments>> C :: 172.545 CA :: 60.839 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 :: 7.928 HA :: 4.202 HB2 :: 2.006 HB3 :: 2.774 HG2 :: 2.490 HG3 :: 2.490 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 :: 119.190 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 C 0.15 R 0.11 W 0.11 K 0.07 E 0.06 Q 0.06 P 0.06 L 0.02 V 0.01 C Shift Assignments>> C :: 173.196 CA :: 60.395 CB :: 27.779 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 :: 9.200 HA :: 3.856 HB2 :: 2.400 HB3 :: 2.400 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 :: 121.506 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 K 0.24 L 0.21 C 0.19 I 0.07 HN Overlap>> 1.Q86 1.Q86 C Shift Assignments>> C :: 173.791 CA :: 58.042 CB :: 42.084 CG :: 27.534 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 :: 8.536 HA :: 4.363 HB2 :: 1.824 HB3 :: 1.824 HG :: 1.758 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 HD21 :: 0.932 HD22 :: 0.932 HD23 :: 0.932 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 :: 120.170 Ave N Shift Values>> N :: 121.98(4.07) 1.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.18 K 0.18 Q 0.17 I 0.09 R 0.02 M 0.01 C Shift Assignments>> C :: 174.568 CA :: 59.869 CB :: 28.836 CG :: 34.574 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 :: 7.935 HA :: 4.285 HB2 :: 2.320 HB3 :: 2.459 HG2 :: 2.524 HG3 :: 2.769 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 :: 118.808 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.42 M 0.01 HN Overlap>> 1.F31 1.F31 C Shift Assignments>> C :: 172.100 CA :: 61.884 CB :: 37.199 CG1 :: 29.747 CG2 :: 20.483 CD1 :: 11.472 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.237 HA :: 4.263 HB :: 2.378 HG12 :: 1.496 HG13 :: 1.954 HG21 :: 1.493 HG22 :: 1.493 HG23 :: 1.493 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 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 :: 120.721 Ave N Shift Values>> N :: 121.6(4.72) 1.F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.41 C 0.17 C Shift Assignments>> C :: 171.502 CA :: 63.019 CB :: 40.000 CD1 :: 132.193 CD2 :: 132.193 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 :: 9.208 HA :: 3.961 HB2 :: 3.378 HB3 :: 3.621 HD1 :: 6.840 HD2 :: 6.840 HE1 :: 7.185 HE2 :: 7.185 HZ :: 7.272 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 :: 124.346 Ave N Shift Values>> N :: 120.69(4.18) 1.N111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.23 F 0.18 N 0.09 D 0.08 E 0.06 I 0.05 L 0.03 M 0.01 C Shift Assignments>> C :: 172.035 CA :: 56.329 CB :: 38.496 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 :: 8.671 HA :: 4.454 HB2 :: 3.009 HB3 :: 3.009 HD21 :: 7.637 HD22 :: 6.974 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 :: 117.653 ND2 :: 110.631 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 C 0.2 L 0.2 K 0.17 I 0.05 G 0.02 C Shift Assignments>> C :: 175.087 CA :: 58.438 CB :: 42.766 CG :: 27.489 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 :: 8.072 HA :: 4.281 HB2 :: 1.937 HB3 :: 2.043 HG :: 1.820 HD11 :: 1.052 HD12 :: 1.052 HD13 :: 1.052 HD21 :: 1.052 HD22 :: 1.052 HD23 :: 1.052 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 :: 121.791 Ave N Shift Values>> N :: 121.98(4.07) 1.M113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.29 M 0.13 I 0.07 Q 0.02 K 0.01 C Shift Assignments>> C :: 172.410 CA :: 59.864 CB :: 35.866 CG :: 32.031 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 :: 8.106 HA :: 4.283 HB2 :: 1.925 HB3 :: 2.453 HG2 :: 2.524 HG3 :: 3.055 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 :: 116.101 Ave N Shift Values>> N :: 120.1(3.88) 1.K114 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 K 0.34 R 0.18 M 0.03 G 0.01 C Shift Assignments>> C :: 171.845 CA :: 59.975 CB :: 33.333 CG :: 24.922 CD :: 30.480 CE :: 42.054 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 :: 8.525 HA :: 2.424(S) HB2 :: 1.250 HB3 :: 0.986 HG2 :: 0.523 HG3 :: 0.086(S) HD2 :: 1.315 HD3 :: 1.401 HE2 :: 2.749 HE3 :: 2.749 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 :: 120.660 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.33 C 0.27 C Shift Assignments>> C :: 169.882 CA :: 58.809 CB :: 39.163 CD1 :: 132.447 CD2 :: 132.447 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 :: 7.390 HA :: 4.559 HB2 :: 2.976 HB3 :: 3.436 HD1 :: 7.484 HD2 :: 7.484 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 :: 110.926 Ave N Shift Values>> N :: 120.69(4.18) 1.D116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.24 K 0.12 C 0.1 D 0.1 F 0.06 Y 0.04 G 0.02 HN Overlap>> 1.R17 1.R17 1.E134 1.E134 C Shift Assignments>> C :: 169.908(S) CA :: 55.657 CB :: 42.904 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 :: 7.589 HA :: 5.098 HB2 :: 2.927 HB3 :: 3.020 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 :: 117.484 Ave N Shift Values>> N :: 120.73(4.2) 1.S117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 171.677 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.792 HA :: 4.124 HB2 :: 4.050 HB3 :: 4.050 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 :: 115.645 Ave N Shift Values>> N :: 116.3(3.95) 1.Y118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 Y 0.46 C Shift Assignments>> C :: 170.196 CA :: 61.138 CB :: 36.654 CE1 :: 117.471 CE2 :: 117.471 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 :: 9.075 HA :: 4.041 HB2 :: 1.598(S) HB3 :: 2.519 HD1 :: 7.453 HD2 :: 7.453 HE1 :: 6.568 HE2 :: 6.568 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 :: 122.747 Ave N Shift Values>> N :: 120.79(4.69) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 175.132 CA :: 54.503 CB :: 17.960 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.259 HA :: 3.635 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 :: 118.698 Ave N Shift Values>> N :: 123.23(3.7) 1.R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.37 G 0.1 K 0.08 I 0.03 HN Overlap>> 1.S74 1.S74 C Shift Assignments>> C :: 174.121 CA :: 60.049 CB :: 31.075 CD :: 43.365 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 :: 7.607 HA :: 4.005 HB2 :: 1.575 HB3 :: 1.976 HD2 :: 3.305 HD3 :: 3.305 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 :: 114.608 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.F121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.38 C 0.19 C Shift Assignments>> C :: 173.709 CA :: 61.175 CB :: 39.111 CD1 :: 132.249 CD2 :: 132.249 CZ :: 128.881 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 :: 8.794 HA :: 4.039 HB2 :: 2.764 HB3 :: 3.049 HD1 :: 6.688 HD2 :: 6.688 HE1 :: 7.252 HE2 :: 7.252 HZ :: 7.404 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 :: 124.248 Ave N Shift Values>> N :: 120.69(4.18) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> 1.V81 1.V81 C Shift Assignments>> C :: 169.940 CA :: 64.564 CB :: 31.010 CG1 :: 21.960 CG2 :: 20.452 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 :: 7.497 HA :: 3.074 HB :: 1.793 HG11 :: 0.410 HG12 :: 0.410 HG13 :: 0.410 HG21 :: 0.430 HG22 :: 0.430 HG23 :: 0.430 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 :: 114.357 Ave N Shift Values>> N :: 121.02(4.96) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.39 R 0.13 G 0.01 C Shift Assignments>> C :: 170.845 CA :: 55.472 CB :: 33.416 CG :: 25.312 CE :: 42.162 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 :: 6.767 HA :: 4.436 HB2 :: 1.617 HB3 :: 2.056 HG2 :: 1.402 HG3 :: 1.447 HE2 :: 2.925 HE3 :: 2.925 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.538 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 C 0.11 C Shift Assignments>> C :: 168.560(S) CA :: 54.498 CB :: 61.262 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.658 HA :: 4.479 HB2 :: 3.032 HB3 :: 4.037 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 :: 118.020 Ave N Shift Values>> N :: 116.3(3.95) 1.P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 173.480 CA :: 65.471 CB :: 32.224 CD :: 50.956 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 :: 4.267 HB2 :: 2.439 HB3 :: 2.439 HG2 :: 2.087 HG3 :: 2.087 HD2 :: 3.538 HD3 :: 3.737 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.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.32 L 0.25 G 0.05 K 0.03 C Shift Assignments>> C :: 173.197 CA :: 58.420 CB :: 42.962 CG :: 27.975 CD1 :: 27.121 CD2 :: 24.070 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 :: 7.694 HA :: 4.314 HB2 :: 1.996 HB3 :: 1.996 HG :: 1.860 HD11 :: 1.452 HD12 :: 1.452 HD13 :: 1.452 HD21 :: 1.285 HD22 :: 1.285 HD23 :: 1.285 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 :: 118.158 Ave N Shift Values>> N :: 121.98(4.07) 1.Y127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 172.055 CA :: 61.496 CB :: 38.254 CD1 :: 132.905 CD2 :: 132.905 CE1 :: 118.005 CE2 :: 118.005 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 :: 7.764 HA :: 3.962 HB2 :: 1.792 HB3 :: 2.426 HD1 :: 6.960 HD2 :: 6.960 HE1 :: 6.795 HE2 :: 6.795 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 :: 119.216 Ave N Shift Values>> N :: 120.79(4.69) 1.R128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 G 0.09 K 0.06 HN Overlap>> 1.Q63 1.Q63 C Shift Assignments>> C :: 173.455 CA :: 60.011 CB :: 29.488 CG :: 28.155 CD :: 43.300 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 :: 7.872 HA :: 3.539 HB2 :: 1.841 HB3 :: 1.841 HG2 :: 1.498 HG3 :: 1.711 HD2 :: 3.090 HD3 :: 3.135 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.546 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.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 W 0.16 E 0.16 K 0.11 R 0.11 C 0.1 I 0.08 P 0.03 M 0.02 V 0.02 C Shift Assignments>> C :: 174.414 CB :: 29.578 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.205 HA :: 3.986 HB2 :: 2.265 HB3 :: 2.265 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.831 Ave N Shift Values>> N :: 120.68(3.68) 1.C130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.39 C 0.06 W 0.01 R 0.01 C Shift Assignments>> C :: 170.589 CA :: 63.497 CB :: 26.593 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.501 HA :: 3.904 HB2 :: 2.245 HB3 :: 2.931 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 :: 120.354 Ave N Shift Values>> N :: 119.95(4.79) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.32 R 0.03 G 0.02 HN Overlap>> 1.L132 1.W44 1.L132 1.W44 C Shift Assignments>> C :: 174.026 CA :: 57.515 CB :: 42.377 CG :: 26.191 CD1 :: 24.172 CD2 :: 24.882 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 :: 8.029 HA :: 3.388 HB2 :: 1.030 HB3 :: 1.228 HG :: 0.867 HD11 :: 0.555 HD12 :: 0.555 HD13 :: 0.555 HD21 :: 0.498 HD22 :: 0.498 HD23 :: 0.498 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 :: 121.029 Ave N Shift Values>> N :: 121.98(4.07) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.23 R 0.23 C 0.19 I 0.07 HN Overlap>> 1.L131 1.L131 C Shift Assignments>> C :: 172.984 CA :: 57.698 CB :: 41.843 CG :: 27.229 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 :: 7.957 HA :: 4.006 HB2 :: 1.575 HB3 :: 1.575 HG :: 1.460 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 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 :: 120.947 Ave N Shift Values>> N :: 121.98(4.07) 1.A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 Q 0.1 L 0.1 K 0.09 R 0.09 C 0.08 E 0.07 W 0.06 Y 0.05 F 0.05 D 0.05 S 0.03 N 0.02 A 0.01 C Shift Assignments>> C :: 173.994 CA :: 56.151 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.405 HA :: 3.842 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.082 Ave N Shift Values>> N :: 123.23(3.7) 1.E134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.R17 1.D116 1.R49 1.R17 1.D116 1.R49 C Shift Assignments>> C :: 174.540 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 :: 7.566 HA :: 4.082 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.554 Ave N Shift Values>> N :: 120.68(3.68) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.36 I 0.03 C 0.03 V 0.01 HN Overlap>> 1.A55 1.A55 C Shift Assignments>> C :: 174.638 CA :: 55.286 CB :: 18.492 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.496 HA :: 4.072 HB1 :: 1.498 HB2 :: 1.498 HB3 :: 1.498 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.687 Ave N Shift Values>> N :: 123.23(3.7) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 W 0.15 E 0.15 C 0.15 Q 0.12 M 0.11 K 0.09 V 0.01 I 0.01 C Shift Assignments>> C :: 171.390 CA :: 56.483 CB :: 30.766 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 :: 7.996 HA :: 4.239 HB2 :: 2.009 HB3 :: 2.182 HG2 :: 2.574 HG3 :: 2.574 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 :: 115.061 Ave N Shift Values>> N :: 120.68(3.68) 1.G137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 169.460 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.944 HA2 :: 4.005 HA3 :: 3.886 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.747 Ave N Shift Values>> N :: 109.91(4.29) 1.R138 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.21 R 0.15 K 0.12 W 0.11 Q 0.08 E 0.07 C Shift Assignments>> C :: 168.099(A) CA :: 53.780 CB :: 31.456 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 :: 8.402 HA :: 4.695 HB2 :: 1.646 HB3 :: 1.790 HG2 :: 1.611 HG3 :: 1.611 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 :: 121.283 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.P139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.13 M 0.06 K 0.02 R 0.02 W 0.01 Q 0.01 C Shift Assignments>> C :: 171.393 CB :: 32.406 CD :: 50.860 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 :: 4.344 HB2 :: 1.787 HB3 :: 2.269 HD2 :: 3.609 HD3 :: 3.848 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.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.24 D 0.1 C 0.1 K 0.09 F 0.05 G 0.03 Y 0.03 C Shift Assignments>> C :: 171.730 CA :: 55.156 CB :: 43.124 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 :: 8.461 HA :: 4.359 HB2 :: 1.616 HB3 :: 1.777 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 HD21 :: 0.903 HD22 :: 0.903 HD23 :: 0.903 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 :: 124.095 Ave N Shift Values>> N :: 121.98(4.07) 1.R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.18 K 0.15 R 0.14 W 0.11 E 0.08 Q 0.07 V 0.01 C Shift Assignments>> C :: 170.926 CA :: 55.017 CB :: 31.822 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 :: 8.538 HA :: 4.488 HB2 :: 1.786 HB3 :: 1.918 HG2 :: 1.657 HG3 :: 1.657 HD2 :: 3.198 HD3 :: 3.198 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.155 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.E142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.18 C 0.13 W 0.13 E 0.12 R 0.11 L 0.04 M 0.04 I 0.01 C Shift Assignments>> C :: 169.492(S) CA :: 55.698 CB :: 28.900 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.992 HA :: 4.289 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 2.281 HG3 :: 2.281 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.071 Ave N Shift Values>> N :: 120.68(3.68) 1.P143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.11 R 0.02 V 0.01 C Shift Assignments>> C :: 171.979 CA :: 64.093 CB :: 31.737 CG :: 27.012 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 :: 4.238 HB2 :: 1.682 HB3 :: 1.682 HG2 :: 0.863 HG3 :: 1.506 HD2 :: 3.387 HD3 :: 3.451 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.G144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 169.313 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.700 HA2 :: 3.970 HA3 :: 3.870 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.630 Ave N Shift Values>> N :: 109.91(4.29) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 F 0.12 Y 0.11 C 0.1 W 0.09 E 0.07 R 0.06 K 0.05 I 0.04 Q 0.04 M 0.03 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 169.577 CA :: 58.878 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.038 HA :: 4.439 HB2 :: 3.864 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 :: 115.269 Ave N Shift Values>> N :: 116.3(3.95) 1.S146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 169.197 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.389 HA :: 4.279 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 :: 117.901 Ave N Shift Values>> N :: 116.3(3.95) 1.R147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.33 K 0.21 M 0.03 Q 0.02 C Shift Assignments>> C :: 170.948 CA :: 56.357 CB :: 30.820 CG :: 27.448 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 :: 8.332 HA :: 4.335 HB2 :: 1.742 HB3 :: 1.871 HG2 :: 1.617 HG3 :: 1.617 HD2 :: 3.184 HD3 :: 3.184 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.479 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.L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.22 K 0.14 D 0.11 C 0.1 F 0.06 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 172.531 CA :: 55.639 CB :: 42.745 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 :: 8.274 HA :: 4.313 HB2 :: 1.582 HB3 :: 1.582 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.226 Ave N Shift Values>> N :: 121.98(4.07) 1.G149 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 :: 168.512 CA :: 45.364 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.464 HA2 :: 3.928 HA3 :: 3.928 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.990 Ave N Shift Values>> N :: 109.91(4.29) 1.S150 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.11 K 0.1 R 0.1 M 0.09 C 0.09 E 0.08 L 0.07 W 0.07 Y 0.06 F 0.06 S 0.04 D 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 167.909(S) CA :: 56.579 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.174 HA :: 4.777 HB2 :: 3.798 HB3 :: 3.858 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 :: 116.657 Ave N Shift Values>> N :: 116.3(3.95) 1.P151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.42 P 0.42 C 0.07 I 0.04 W 0.01 C Shift Assignments>> C :: 171.310 CA :: 63.906 CB :: 32.366 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 :: 4.437 HB2 :: 1.969 HB3 :: 2.281 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.D152 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 K 0.18 L 0.16 F 0.14 Y 0.09 C 0.08 I 0.05 N 0.03 R 0.03 C Shift Assignments>> C :: 170.413(S) CB :: 41.324 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 :: 8.285 HA :: 4.562 HB2 :: 2.564 HB3 :: 2.681 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 :: 119.487 Ave N Shift Values>> N :: 120.73(4.2) 1.A153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.21 C 0.03 L 0.01 C Shift Assignments>> C :: 171.639 CA :: 52.770 CB :: 19.626 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.105 HA :: 4.387 HB1 :: 1.407 HB2 :: 1.407 HB3 :: 1.407 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.488 Ave N Shift Values>> N :: 123.23(3.7) 1.T154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 V 0.01 C Shift Assignments>> C :: 174.024 CB :: 71.093 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.790 HA :: 4.119 HB :: 4.201 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 :: 118.814 Ave N Shift Values>> N :: 115.7(5.05) ########################################################################### Overall Results: #Consistent: 127 #Clerical: 0 #Suspicious: 18 #Anomalous: 9 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 144 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 152 #Suspicious: 2 C Shift Results: #Consistent: 548 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 9 H Shift Results: #Consistent: 991 #Duplicate: 0 #Unknown: 0 #Suspicious: 20 #Anomalous: 0 N Shift Results: #Consistent: 151 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q6 C = 168.309(A), Expected = 176.39, Std = 1.9600, ChiSquare = 3.7404e-05 1.V8 H = 10.715(S), Expected = 8.29, Std = 0.7100, ChiSquare = 6.3667e-04 1.V8 HG21 = -0.228(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.6401e-04 1.V8 HG22 = -0.228(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.6401e-04 1.V8 HG23 = -0.228(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.6401e-04 1.S14 C = 168.313(S), Expected = 174.53, Std = 1.7300, ChiSquare = 3.2609e-04 1.L19 HG = 0.358(S), Expected = 1.54, Std = 0.3300, ChiSquare = 3.4121e-04 1.L19 HD11 = -0.212(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.7579e-04 1.L19 HD12 = -0.212(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.7579e-04 1.L19 HD13 = -0.212(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.7579e-04 1.L19 HD21 = -1.027(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.7463e-10 1.L19 HD22 = -1.027(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.7463e-10 1.L19 HD23 = -1.027(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.7463e-10 1.Q20 C = 170.097(A), Expected = 176.39, Std = 1.9600, ChiSquare = 1.3241e-03 1.G24 HA2 = 1.733(S), Expected = 3.95, Std = 0.4000, ChiSquare = 2.9818e-08 1.G24 HA3 = 2.348(S), Expected = 3.93, Std = 0.4000, ChiSquare = 7.6535e-05 1.E35 C = 169.724(S), Expected = 176.93, Std = 2.1100, ChiSquare = 6.3743e-04 1.W44 SRO Rule Break>> HA > HB2 : 0.994219653179191 1.K45 HD2 = 0.718(S), Expected = 1.61, Std = 0.2500, ChiSquare = 3.5972e-04 1.I53 C = 169.008(S), Expected = 175.82, Std = 1.9500, ChiSquare = 4.7703e-04 1.D57 C = 170.365(S), Expected = 176.41, Std = 1.7700, ChiSquare = 6.3723e-04 1.E71 HB3 = 1.123(S), Expected = 2.04, Std = 0.2300, ChiSquare = 6.6926e-05 1.E71 HG2 = 1.024(S), Expected = 2.31, Std = 0.2100, ChiSquare = 9.1364e-10 1.E71 HG3 = 1.448(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.0473e-05 1.Q76 C = 169.860(A), Expected = 176.39, Std = 1.9600, ChiSquare = 8.6338e-04 1.S79 C = 182.485(A), Expected = 174.53, Std = 1.7300, ChiSquare = 4.2602e-06 1.N82 C = 169.063(S), Expected = 175.16, Std = 1.7600, ChiSquare = 5.3180e-04 1.W88 C = 170.488(A), Expected = 176.10, Std = 1.8900, ChiSquare = 2.9847e-03 1.E96 C = 166.914(A), Expected = 176.93, Std = 2.1100, ChiSquare = 2.0654e-06 1.P97 C = 170.787(A), Expected = 176.70, Std = 1.6900, ChiSquare = 4.6733e-04 1.P99 C = 170.088(A), Expected = 176.70, Std = 1.6900, ChiSquare = 9.1374e-05 1.K114 HA = 2.424(S), Expected = 4.28, Std = 0.4500, ChiSquare = 3.7163e-05 1.K114 HG3 = 0.086(S), Expected = 1.37, Std = 0.2900, ChiSquare = 9.5293e-06 1.K114 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K114 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.D116 C = 169.908(S), Expected = 176.41, Std = 1.7700, ChiSquare = 2.3930e-04 1.Y118 HB2 = 1.598(S), Expected = 2.91, Std = 0.3700, ChiSquare = 3.9121e-04 1.S124 C = 168.560(S), Expected = 174.53, Std = 1.7300, ChiSquare = 5.5879e-04 1.R138 C = 168.099(A), Expected = 176.49, Std = 2.1600, ChiSquare = 1.0245e-04 1.E142 C = 169.492(S), Expected = 176.93, Std = 2.1100, ChiSquare = 4.2329e-04 1.S150 C = 167.909(S), Expected = 174.53, Std = 1.7300, ChiSquare = 1.2963e-04 1.D152 C = 170.413(S), Expected = 176.41, Std = 1.7700, ChiSquare = 7.0369e-04