Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.K1 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Indeterminable PRTL>> D 0.28 F 0.2 Y 0.13 L 0.1 C 0.09 I 0.08 N 0.07 C Shift Assignments>> C :: 167.867(A) CA :: 40.726(A) 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>> HB2 :: 3.819(S) HB3 :: 3.819(S) 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) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.17 D 0.13 Y 0.06 F 0.04 L 0.02 E 0.01 C Shift Assignments>> C :: 173.464 CA :: 52.531 CB :: 38.330 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 :: 8.626 HA :: 4.516 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.661 Ave N Shift Values>> N :: 120.73(4.2) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.18 D 0.11 Y 0.04 F 0.03 L 0.01 E 0.01 C Shift Assignments>> C :: 173.159 CA :: 51.682 CB :: 38.112 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 :: 8.424 HA :: 4.509 HB2 :: 2.529 HB3 :: 2.615 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 :: 119.152 Ave N Shift Values>> N :: 120.73(4.2) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.2 Y 0.13 D 0.13 F 0.09 E 0.04 L 0.02 M 0.01 I 0.01 C Shift Assignments>> CA :: 54.422 CB :: 38.298 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 :: 7.998 HA :: 4.474 HB2 :: 2.546 HB3 :: 2.585 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 :: 119.647 Ave N Shift Values>> N :: 120.73(4.2) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.53 C 0.2 W 0.05 R 0.05 Q 0.04 M 0.04 K 0.03 E 0.01 L 0.01 C Shift Assignments>> CA :: 50.777 CB :: 29.592 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 :: 8.101 HA :: 4.944 HB2 :: 1.900 HB3 :: 1.900 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 :: 121.980 Ave N Shift Values>> N :: 120.68(3.68) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.83 G 0.15 C Shift Assignments>> C :: 174.368 CA :: 60.790 CB :: 29.086 CG :: 24.782 CD :: 47.775 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 :: 4.334 HB2 :: 2.219 HB3 :: 1.860 HG2 :: 1.969 HG3 :: 1.969 HD2 :: 3.722 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.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.24 K 0.13 D 0.08 C 0.07 F 0.06 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 172.005 CA :: 42.661 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.529 HA2 :: 3.896 HA3 :: 3.896 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.549 Ave N Shift Values>> N :: 109.91(4.29) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.24 K 0.12 D 0.08 C 0.07 F 0.06 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 171.426 CA :: 42.668 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.144 HA2 :: 3.912 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.461 Ave N Shift Values>> N :: 109.91(4.29) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 M 0.19 R 0.16 W 0.12 Q 0.1 K 0.09 E 0.07 P 0.01 C Shift Assignments>> C :: 173.573 CA :: 53.171 CB :: 31.041 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 :: 8.089 HA :: 4.309 HB2 :: 1.765 HB3 :: 1.628 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.936 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.24 D 0.13 F 0.09 R 0.09 C 0.07 Y 0.06 I 0.03 N 0.01 C Shift Assignments>> C :: 170.173 CA :: 41.976 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.330 HA2 :: 3.986 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.507 Ave N Shift Values>> N :: 109.91(4.29) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 A 0.32 C 0.02 M 0.01 L 0.01 C Shift Assignments>> C :: 172.113 CA :: 47.991 CB :: 20.280 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.177 HA :: 4.510 HB1 :: 0.899 HB2 :: 0.899 HB3 :: 0.899 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.186 Ave N Shift Values>> N :: 123.23(3.7) 1.M12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.16 A 0.1 C Shift Assignments>> C :: 173.091 CA :: 51.481 CB :: 29.836 CG :: 29.443 CE :: 14.140 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 :: 7.708 HA :: 4.414 HB2 :: 1.709 HB3 :: 1.906 HG2 :: 2.383 HG3 :: 2.151 HE1 :: 1.797 HE2 :: 1.797 HE3 :: 1.797 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 :: 118.348 Ave N Shift Values>> N :: 120.1(3.88) 1.Y13 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 172.548 CA :: 53.734 CB :: 39.228 CD1 :: 128.176 CD2 :: 128.176 CE1 :: 112.575 CE2 :: 112.575(A) 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 :: 8.075 HA :: 5.315 HB2 :: 1.269(S) HB3 :: 1.269(S) HD1 :: 6.761 HD2 :: 6.761 HE1 :: 6.513 HE2 :: 6.513 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 :: 118.821 Ave N Shift Values>> N :: 120.79(4.69) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.35 Q 0.15 K 0.08 E 0.02 R 0.01 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> C :: 170.538 CA :: 51.901 CB :: 31.010 CG :: 33.055 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 :: 8.465 HA :: 5.025 HB2 :: 1.727 HB3 :: 1.856 HG2 :: 2.122 HG3 :: 1.850 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 :: 121.324 Ave N Shift Values>> N :: 120.68(3.68) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 A 0.4 V 0.01 C Shift Assignments>> C :: 169.568 CA :: 55.198 CB :: 32.804 CG1 :: 19.798 CG2 :: 17.096 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.443 HA :: 5.867 HB :: 2.068 HG11 :: 0.848 HG12 :: 0.848 HG13 :: 0.848 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.502 Ave N Shift Values>> N :: 121.02(4.96) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 C 0.17 T 0.12 C Shift Assignments>> C :: 170.891 CA :: 56.252 CB :: 68.930 CG2 :: 19.232 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.124 HA :: 5.397 HB :: 3.923 HG21 :: 1.164 HG22 :: 1.164 HG23 :: 1.164 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 :: 118.576 Ave N Shift Values>> N :: 115.7(5.05) 1.I17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 171.474 CA :: 58.186 CB :: 37.602 CG1 :: 25.012 CG2 :: 11.330(S) CD1 :: 13.019 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.023 HA :: 4.290 HB :: 1.240 HG12 :: 0.414 HG13 :: 0.414 HG21 :: 0.146 HG22 :: 0.146 HG23 :: 0.146 HD11 :: -0.305(S) HD12 :: -0.305(S) HD13 :: -0.305(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.351 Ave N Shift Values>> N :: 121.6(4.72) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.18 K 0.13 M 0.13 E 0.1 P 0.01 R 0.01 C Shift Assignments>> C :: 173.320 CA :: 51.877 CB :: 29.789 CG :: 34.840 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 :: 8.602 HA :: 4.944 HB2 :: 1.890 HB3 :: 2.039 HG2 :: 1.992 HG3 :: 2.029 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.259 Ave N Shift Values>> N :: 120.68(3.68) 1.Q19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.32 P 0.2 K 0.14 M 0.14 Q 0.11 R 0.05 C Shift Assignments>> C :: 171.992 CA :: 51.255 CB :: 29.685 CG :: 32.616 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 :: 9.418 HA :: 5.499 HB2 :: 1.241 HB3 :: 0.756(S) HG2 :: 1.595 HG3 :: 1.595 HE21 :: 6.838 HE22 :: 7.126 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 :: 123.950 NE2 :: 112.127 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> C :: 172.362 CA :: 54.843 CB :: 62.541 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.954 HA :: 4.930 HB2 :: 3.916 HB3 :: 4.043 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 :: 114.358 Ave N Shift Values>> N :: 116.3(3.95) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.28 K 0.08 C 0.07 D 0.06 F 0.05 G 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 173.531 CA :: 42.969 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.006 HA2 :: 3.952 HA3 :: 4.469 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.346 Ave N Shift Values>> N :: 109.91(4.29) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.36 M 0.05 P 0.03 Y 0.02 E 0.02 D 0.01 F 0.01 K 0.01 C Shift Assignments>> C :: 175.379 CA :: 50.620 CB :: 36.409 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 :: 8.273 HA :: 4.942 HB2 :: 2.411 HB3 :: 3.196 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 :: 126.409 Ave N Shift Values>> N :: 120.73(4.2) 1.F23 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 175.193 CA :: 57.350 CB :: 36.328 CD1 :: 127.478 CD2 :: 127.485 CE1 :: 127.470 CE2 :: 127.470 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 :: 7.833 HA :: 4.969 HB2 :: 3.124 HB3 :: 2.750 HD1 :: 6.875 HD2 :: 6.875 HE1 :: 7.218 HE2 :: 7.218 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.268 Ave N Shift Values>> N :: 120.69(4.18) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.41 K 0.08 HN Overlap>> 1.D123 1.D123 C Shift Assignments>> C :: 174.288 CA :: 55.578 CB :: 26.301 CG :: 26.182 CD :: 40.151 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 :: 8.103 HA :: 3.950 HB2 :: 1.741 HB3 :: 1.475 HG2 :: 1.202 HG3 :: 0.894 HD2 :: 2.870 HD3 :: 3.060 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 :: 121.463 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.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 C 0.03 C Shift Assignments>> C :: 169.877 CA :: 56.988 CB :: 60.400 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.399 HA :: 4.197 HB2 :: 3.568 HB3 :: 3.568 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 :: 113.672 Ave N Shift Values>> N :: 116.3(3.95) 1.F26 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.V88 1.V88 C Shift Assignments>> C :: 172.044 CA :: 54.275 CB :: 39.144 CD1 :: 127.552 CD2 :: 127.552 CE1 :: 126.096(S) CE2 :: 126.096(A) CZ :: 124.650 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 :: 6.909 HA :: 4.407 HB2 :: 2.461 HB3 :: 2.684 HD1 :: 6.876 HD2 :: 6.876 HE1 :: 7.153 HE2 :: 7.153 HZ :: 6.989 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.894 Ave N Shift Values>> N :: 120.69(4.18) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 I 0.05 C Shift Assignments>> C :: 174.880 CA :: 57.885 CB :: 35.035 CG1 :: 24.274 CD1 :: 10.489 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 :: 8.950 HA :: 4.954 HB :: 1.685 HG12 :: 1.027 HG13 :: 1.437 HD11 :: 0.766 HD12 :: 0.766 HD13 :: 0.766 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.975 Ave N Shift Values>> N :: 121.6(4.72) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.21 R 0.14 W 0.1 K 0.09 Q 0.07 E 0.05 P 0.04 C Shift Assignments>> C :: 172.925 CA :: 52.688 CB :: 31.345 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 :: 10.059 HA :: 4.893 HB2 :: 1.995 HB3 :: 1.663 HD2 :: 2.052 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 :: 131.216 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 C 0.04 C Shift Assignments>> C :: 170.710 CA :: 54.321 CB :: 62.420 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.347 HA :: 5.021 HB2 :: 3.616 HB3 :: 3.647 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 :: 114.165 Ave N Shift Values>> N :: 116.3(3.95) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.07 I 0.06 A 0.02 C Shift Assignments>> C :: 170.470 CA :: 58.534 CB :: 34.108 CG1 :: 24.097 CG2 :: 18.428 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.247 HA :: 4.865 HB :: 1.579 HG11 :: 0.637 HG12 :: 0.637 HG13 :: 0.637 HG21 :: 0.493 HG22 :: 0.493 HG23 :: 0.493 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.940 Ave N Shift Values>> N :: 121.02(4.96) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.05 A 0.04 I 0.02 C Shift Assignments>> C :: 172.604 CA :: 58.201 CB :: 31.450 CG1 :: 18.489 CG2 :: 18.243 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.194 HA :: 4.947 HB :: 1.772 HG11 :: 0.493 HG12 :: 0.493 HG13 :: 0.493 HG21 :: 0.649 HG22 :: 0.649 HG23 :: 0.649 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 :: 127.113 Ave N Shift Values>> N :: 121.02(4.96) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.19 A 0.05 C Shift Assignments>> C :: 171.008 CA :: 58.045 CB :: 31.227 CG1 :: 19.905 CG2 :: 18.797 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.056 HA :: 4.610 HB :: 1.653 HG11 :: 0.536 HG12 :: 0.536 HG13 :: 0.536 HG21 :: 0.647 HG22 :: 0.647 HG23 :: 0.647 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 :: 127.990 Ave N Shift Values>> N :: 121.02(4.96) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.09 V 0.04 C Shift Assignments>> C :: 171.319 CA :: 57.510 CB :: 32.301 CG1 :: 18.366 CG2 :: 18.366 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.718 HA :: 4.125 HB :: 1.642 HG11 :: 0.673 HG12 :: 0.673 HG13 :: 0.673 HG21 :: 0.673 HG22 :: 0.673 HG23 :: 0.673 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 :: 126.994 Ave N Shift Values>> N :: 121.02(4.96) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.96 A 0.02 C Shift Assignments>> C :: 171.857 CA :: 46.843 CB :: 19.393 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.746 HA :: 5.037 HB1 :: 1.221 HB2 :: 1.221 HB3 :: 1.221 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.089 Ave N Shift Values>> N :: 123.23(3.7) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.33 M 0.04 Y 0.03 D 0.02 E 0.02 F 0.01 P 0.01 C Shift Assignments>> C :: 174.005 CA :: 50.947 CB :: 36.618 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 :: 7.857 HA :: 4.723 HB2 :: 2.696 HB3 :: 2.863 HD21 :: 6.839 HD22 :: 8.095 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.680 ND2 :: 111.980 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.17 R 0.16 D 0.1 F 0.07 C 0.07 Y 0.04 I 0.02 N 0.01 G 0.01 C Shift Assignments>> C :: 170.573 CA :: 42.361 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.779 HA2 :: 4.494 HA3 :: 3.723 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.112 Ave N Shift Values>> N :: 109.91(4.29) 1.T37 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.47 A 0.41 C 0.11 C Shift Assignments>> C :: 169.734 CA :: 56.447 CB :: 66.539 CG2 :: 16.419(S) 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 :: 7.553 HA :: 4.654 HB :: 4.001 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 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 :: 114.086 Ave N Shift Values>> N :: 115.7(5.05) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.24 Q 0.15 R 0.12 M 0.1 P 0.07 HN Overlap>> 1.V77 1.V77 C Shift Assignments>> C :: 172.380 CA :: 52.425 CB :: 28.867 CG :: 32.464 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 :: 8.100 HA :: 4.746 HB2 :: 2.093 HB3 :: 2.093 HG2 :: 2.299 HG3 :: 2.203 HE21 :: 7.176 HE22 :: 6.712 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 :: 119.203 NE2 :: 110.825 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.4 G 0.23 L 0.2 C 0.15 C Shift Assignments>> C :: 172.026 CA :: 49.992 CB :: 42.726 CG :: 25.774 CD1 :: 22.738 CD2 :: 21.499 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 :: 8.924 HA :: 5.160 HB2 :: 1.282 HB3 :: 1.663 HG :: 1.542 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.910 HD22 :: 0.910 HD23 :: 0.910 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 :: 120.932 Ave N Shift Values>> N :: 121.98(4.07) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 C 0.42 M 0.02 C Shift Assignments>> C :: 173.834 CA :: 51.772 CB :: 31.931 CG :: 21.473 CD :: 26.641 CE :: 39.279 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.478 HA :: 4.975 HB2 :: 1.581 HB3 :: 1.282 HG2 :: 0.909 HG3 :: 0.966 HD2 :: 1.410 HD3 :: 1.410 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 :: 121.508 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.27 C 0.14 L 0.05 F 0.03 Y 0.03 C Shift Assignments>> C :: 175.239 CA :: 51.069 CB :: 39.868 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 :: 8.526 HA :: 4.889 HB2 :: 2.967 HB3 :: 2.469 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.693 Ave N Shift Values>> N :: 120.73(4.2) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.978 CA :: 44.499 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.831 HA2 :: 3.725 HA3 :: 3.665 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.554 Ave N Shift Values>> N :: 109.91(4.29) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.25 C 0.01 C Shift Assignments>> C :: 176.928 CA :: 51.494 CB :: 16.880 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.647 HA :: 4.355 HB1 :: 1.549 HB2 :: 1.549 HB3 :: 1.549 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.215 Ave N Shift Values>> N :: 123.23(3.7) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.48 C 0.32 A 0.14 S 0.04 C Shift Assignments>> C :: 174.012 CA :: 58.648 CB :: 68.581 CG2 :: 18.565 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 :: 7.766 HA :: 4.395 HB :: 4.322 HG21 :: 1.191 HG22 :: 1.191 HG23 :: 1.191 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 :: 105.783 Ave N Shift Values>> N :: 115.7(5.05) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.28 K 0.08 C 0.07 D 0.06 F 0.05 G 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 171.055 CA :: 43.005 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.385 HA2 :: 4.116 HA3 :: 3.616 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.388 Ave N Shift Values>> N :: 109.91(4.29) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 C 0.26 Q 0.25 R 0.12 M 0.05 E 0.02 C Shift Assignments>> C :: 172.774 CA :: 53.896 CB :: 28.201 CG :: 33.133 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 :: 7.817 HA :: 4.142 HB2 :: 1.841 HB3 :: 1.923 HG2 :: 2.272 HG3 :: 2.164 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 :: 120.992 Ave N Shift Values>> N :: 120.68(3.68) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 C 0.06 C Shift Assignments>> C :: 170.950 CA :: 55.258 CB :: 61.052 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.466 HA :: 4.880 HB2 :: 3.687 HB3 :: 3.603 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 :: 117.885 Ave N Shift Values>> N :: 116.3(3.95) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 G 0.15 C 0.13 L 0.03 C Shift Assignments>> C :: 172.802 CA :: 50.957 CB :: 42.847 CG :: 24.039 CD1 :: 23.551 CD2 :: 20.636 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 :: 9.501 HA :: 4.559 HB2 :: 1.489 HB3 :: 1.489 HG :: 1.507 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.818 HD22 :: 0.818 HD23 :: 0.818 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 :: 127.192 Ave N Shift Values>> N :: 121.98(4.07) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 G 0.27 M 0.09 C 0.01 C Shift Assignments>> C :: 173.821 CA :: 48.706 CB :: 16.380 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.131 HA :: 4.271 HB1 :: 1.295 HB2 :: 1.295 HB3 :: 1.295 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.115 Ave N Shift Values>> N :: 123.23(3.7) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.74 C 0.19 S 0.05 C Shift Assignments>> CA :: 52.442 CB :: 61.238 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.315 HA :: 4.652 HB2 :: 3.915 HB3 :: 3.733 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.472 Ave N Shift Values>> N :: 116.3(3.95) 1.P51 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.88 G 0.1 C Shift Assignments>> C :: 172.809 CA :: 59.408 CB :: 32.279 CG :: 21.834(S) CD :: 47.673 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.183 HB2 :: 2.022 HB3 :: 1.614 HG2 :: 1.856 HG3 :: 1.805 HD2 :: 3.551 HD3 :: 3.526 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.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.13 A 0.01 C Shift Assignments>> C :: 171.498 CA :: 59.001 CB :: 30.826 CG1 :: 18.030 CG2 :: 21.761 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.022 HA :: 4.119 HB :: 1.751 HG11 :: 0.718 HG12 :: 0.718 HG13 :: 0.718 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.574 Ave N Shift Values>> N :: 121.02(4.96) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 I 0.07 C Shift Assignments>> C :: 173.343 CA :: 57.398 CB :: 36.096 CG1 :: 25.028 CG2 :: 14.718 CD1 :: 10.703 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 :: 8.381 HA :: 4.557 HB :: 1.700 HG12 :: 1.399 HG13 :: 0.992 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 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 :: 127.591 Ave N Shift Values>> N :: 121.6(4.72) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 C 0.23 C Shift Assignments>> C :: 172.496 CA :: 50.837 CB :: 39.611 CG :: 23.830 CD1 :: 20.508 CD2 :: 22.997 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 :: 9.645 HA :: 4.537 HB2 :: 1.932 HB3 :: 1.145 HG :: 1.420 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 HD21 :: 0.561 HD22 :: 0.561 HD23 :: 0.561 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 :: 129.185 Ave N Shift Values>> N :: 121.98(4.07) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.76 P 0.17 C 0.06 C Shift Assignments>> C :: 172.109 CA :: 53.397 CB :: 63.331 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.932 HA :: 5.074 HB2 :: 4.029 HB3 :: 4.271 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 :: 120.367 Ave N Shift Values>> N :: 116.3(3.95) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.21 C 0.19 D 0.12 L 0.06 N 0.06 I 0.05 E 0.02 K 0.01 C Shift Assignments>> C :: 175.957 CA :: 56.602 CB :: 39.365 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 :: 8.369 HA :: 4.392 HB2 :: 2.588 HB3 :: 2.666 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 :: 119.741 Ave N Shift Values>> N :: 120.73(4.2) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.25 Q 0.2 R 0.15 E 0.02 M 0.02 C Shift Assignments>> C :: 176.187 CA :: 56.535 CB :: 26.381 CG :: 33.394 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 :: 8.329 HA :: 4.045 HB2 :: 1.943 HB3 :: 1.899 HG2 :: 2.275 HG3 :: 2.275 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 :: 117.479 Ave N Shift Values>> N :: 120.68(3.68) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.21 E 0.09 R 0.08 I 0.01 M 0.01 C Shift Assignments>> C :: 174.076 CA :: 56.515 CB :: 27.368 CG :: 34.238 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 :: 7.789 HA :: 4.212 HB2 :: 2.217 HB3 :: 2.140 HG2 :: 2.253 HG3 :: 2.599 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.716 Ave N Shift Values>> N :: 120.68(3.68) 1.L59 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 C 0.18 C Shift Assignments>> C :: 172.911 CA :: 50.670 CB :: 39.169 CG :: 23.789 CD1 :: 19.145 CD2 :: 24.012 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 :: 7.746 HA :: 4.430 HB2 :: 1.960 HB3 :: 1.623 HG :: 1.470 HD11 :: 0.532 HD12 :: 0.532 HD13 :: 0.532 HD21 :: 0.641 HD22 :: 0.641 HD23 :: 0.641 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.833 Ave N Shift Values>> N :: 121.98(4.07) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.24 C 0.01 C Shift Assignments>> C :: 174.596 CA :: 50.436 CB :: 16.173 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.294 HA :: 4.569 HB1 :: 1.499 HB2 :: 1.499 HB3 :: 1.499 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.791 Ave N Shift Values>> N :: 123.23(3.7) 1.V61 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 A 0.23 I 0.08 C Shift Assignments>> C :: 171.870 CA :: 56.374 CB :: 30.988 CG1 :: 15.599(S) CG2 :: 18.813 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 :: 6.768 HA :: 4.540 HB :: 2.298 HG11 :: 0.819 HG12 :: 0.819 HG13 :: 0.819 HG21 :: 0.953 HG22 :: 0.953 HG23 :: 0.953 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 109.641 Ave N Shift Values>> N :: 121.02(4.96) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.21 E 0.11 R 0.07 I 0.02 M 0.01 C Shift Assignments>> C :: 172.445 CA :: 56.944 CB :: 27.491 CG :: 34.323 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 :: 8.648 HA :: 3.628 HB2 :: 2.128 HB3 :: 2.128 HG2 :: 2.478 HG3 :: 2.509 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 :: 117.682 Ave N Shift Values>> N :: 120.68(3.68) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 A 0.22 K 0.12 M 0.02 C Shift Assignments>> C :: 171.966 CA :: 52.108 CB :: 32.957 CG :: 22.712 CD :: 26.890 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 :: 7.435 HA :: 5.395 HB2 :: 1.634 HG2 :: 1.069 HG3 :: 1.069 HD2 :: 1.540 HD3 :: 1.540 HE2 :: 2.689 HE3 :: 2.689 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 :: 117.306 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.05 A 0.03 I 0.01 C Shift Assignments>> C :: 171.468 CA :: 58.285 CB :: 32.832 CG1 :: 18.216 CG2 :: 18.216 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.528 HA :: 4.228 HB :: 1.607 HG11 :: 0.718 HG12 :: 0.718 HG13 :: 0.718 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 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 :: 125.885 Ave N Shift Values>> N :: 121.02(4.96) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.38 C 0.36 A 0.22 S 0.02 C Shift Assignments>> C :: 170.784 CA :: 58.357 CB :: 68.988 CG2 :: 18.309 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 :: 8.858 HA :: 5.227 HB :: 3.742 HG21 :: 1.021 HG22 :: 1.021 HG23 :: 1.021 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.384 Ave N Shift Values>> N :: 115.7(5.05) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 A 0.19 L 0.08 C 0.07 C Shift Assignments>> C :: 172.713 CA :: 50.739 CB :: 44.416 CG :: 24.877 CD1 :: 23.952 CD2 :: 21.738 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 :: 8.796 HA :: 5.366 HB2 :: 1.259 HB3 :: 1.596 HG :: 1.567 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 HD21 :: 0.848 HD22 :: 0.848 HD23 :: 0.848 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 :: 125.107 Ave N Shift Values>> N :: 121.98(4.07) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.5 P 0.37 C 0.12 C Shift Assignments>> C :: 171.414 CA :: 53.149 CB :: 62.433 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.358 HA :: 5.333 HB2 :: 3.717 HB3 :: 3.834 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 :: 114.475 Ave N Shift Values>> N :: 116.3(3.95) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.43 T 0.26 C 0.26 A 0.02 C Shift Assignments>> C :: 173.612 CA :: 58.549 CB :: 66.452 CG2 :: 21.066 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.039 HA :: 5.058 HB :: 5.024 HG21 :: 1.300 HG22 :: 1.300 HG23 :: 1.300 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 :: 114.239 Ave N Shift Values>> N :: 115.7(5.05) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.77 C 0.14 T 0.07 C Shift Assignments>> C :: 172.686 CA :: 60.677 CB :: 65.089 CG2 :: 20.360 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 :: 8.626 HA :: 3.972 HB :: 4.175 HG21 :: 0.989 HG22 :: 0.989 HG23 :: 0.989 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 :: 115.512 Ave N Shift Values>> N :: 115.7(5.05) 1.G70 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.17 L 0.12 Y 0.11 K 0.11 C 0.08 I 0.07 N 0.05 R 0.01 C Shift Assignments>> C :: 169.830 CA :: 40.969 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.585 HA2 :: 4.140 HA3 :: 3.638 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.649 Ave N Shift Values>> N :: 109.91(4.29) 1.K71 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.37 C 0.35 A 0.21 M 0.02 K 0.01 C Shift Assignments>> C :: 173.223 CA :: 54.715 CB :: 30.657 CG :: 21.035 CD :: 26.710 CE :: 41.827 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 :: 8.301 HA :: 3.737 HB2 :: 1.492 HB3 :: 1.191 HG2 :: 1.301 HG3 :: 1.301 HD2 :: 1.312 HD3 :: 1.312 HE2 :: 3.755(S) HE3 :: 3.988(S) 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 :: 120.451 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.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.94 A 0.04 C Shift Assignments>> C :: 175.406 CA :: 46.988 CB :: 19.325 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.155 HA :: 4.850 HB1 :: 1.556 HB2 :: 1.556 HB3 :: 1.556 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.707 Ave N Shift Values>> N :: 123.23(3.7) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 I 0.19 HN Overlap>> 1.S110 1.S110 C Shift Assignments>> C :: 173.411 CA :: 59.751 CB :: 36.151 CG1 :: 24.735 CG2 :: 15.423 CD1 :: 10.229 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 :: 8.625 HA :: 4.053 HB :: 1.830 HG12 :: 1.404 HG13 :: 1.127 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 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 :: 120.092 Ave N Shift Values>> N :: 121.6(4.72) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.36 Q 0.12 E 0.05 K 0.02 C Shift Assignments>> C :: 171.037 CA :: 52.356 CB :: 31.867 CG :: 34.261 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 :: 7.302 HA :: 4.869 HB2 :: 2.056 HB3 :: 1.895 HG2 :: 2.307 HG3 :: 2.153 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 :: 115.157 Ave N Shift Values>> N :: 120.68(3.68) 1.F75 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.95 Y 0.04 C Shift Assignments>> C :: 169.375 CA :: 53.041 CB :: 39.866 CD1 :: 127.247 CD2 :: 127.247 CE1 :: 120.834(S) CE2 :: 120.832(A) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.665 HA :: 5.160 HB2 :: 1.609(S) HB3 :: 1.609(S) HD1 :: 6.648 HD2 :: 6.648 HE1 :: 6.881 HE2 :: 6.881 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 :: 124.407 Ave N Shift Values>> N :: 120.69(4.18) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 A 0.16 C 0.01 L 0.01 C Shift Assignments>> C :: 172.126 CA :: 47.670 CB :: 20.456 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.537 HA :: 4.966 HB1 :: 1.264 HB2 :: 1.264 HB3 :: 1.264 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.560 Ave N Shift Values>> N :: 123.23(3.7) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 A 0.06 V 0.06 HN Overlap>> 1.Q38 1.Q94 1.Q38 1.Q94 C Shift Assignments>> C :: 171.034 CA :: 57.832 CB :: 32.795 CG1 :: 18.443 CG2 :: 18.443 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.159 HA :: 4.686 HB :: 1.729 HG11 :: 0.595 HG12 :: 0.595 HG13 :: 0.595 HG21 :: 0.549 HG22 :: 0.549 HG23 :: 0.549 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.281 Ave N Shift Values>> N :: 121.02(4.96) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.56 P 0.36 C 0.06 HN Overlap>> 1.I106 1.I106 C Shift Assignments>> C :: 170.082 CA :: 53.135 CB :: 63.382 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 :: 5.197 HB2 :: 3.852 HB3 :: 3.852 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 :: 121.585 Ave N Shift Values>> N :: 116.3(3.95) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.13 C 0.09 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 169.335 CA :: 43.660 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.421 HA2 :: 4.523 HA3 :: 4.523 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.939 Ave N Shift Values>> N :: 109.91(4.29) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 G 0.06 K 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 168.660 CA :: 43.261 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.883 HA2 :: 4.370 HA3 :: 4.121 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.729 Ave N Shift Values>> N :: 109.91(4.29) 1.V81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.74 A 0.19 V 0.05 C Shift Assignments>> C :: 171.333 CA :: 56.520 CB :: 33.179 CG1 :: 18.387 CG2 :: 19.746 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 :: 7.330 HA :: 4.871 HB :: 0.502(S) HG11 :: -0.711(S) HG12 :: -0.711(S) HG13 :: -0.711(S) HG21 :: -0.130(S) HG22 :: -0.130(S) HG23 :: -0.130(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 :: 115.409 Ave N Shift Values>> N :: 121.02(4.96) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 A 0.13 V 0.05 C Shift Assignments>> C :: 171.360 CA :: 57.049 CB :: 33.767 CG1 :: 18.653 CG2 :: 18.653 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.512 HA :: 4.096 HB :: 1.820 HG11 :: 0.839 HG12 :: 0.839 HG13 :: 0.839 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.898 Ave N Shift Values>> N :: 121.02(4.96) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.25 D 0.05 Y 0.04 M 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 173.400 CA :: 51.418 CB :: 37.211 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 :: 8.378 HA :: 3.988 HB2 :: 2.828 HB3 :: 2.428 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.374 Ave N Shift Values>> N :: 120.73(4.2) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.17 K 0.16 D 0.09 F 0.07 C 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> C :: 171.374 CA :: 42.409 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.253 HA2 :: 4.148 HA3 :: 3.603 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.997 Ave N Shift Values>> N :: 109.91(4.29) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 C 0.2 R 0.12 K 0.09 Q 0.04 M 0.02 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> C :: 173.838 CA :: 51.691 CB :: 27.573 CG :: 32.127 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 :: 8.568 HA :: 4.612 HB2 :: 2.032 HB3 :: 1.778 HG2 :: 2.063 HG3 :: 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 :: 121.282 Ave N Shift Values>> N :: 120.68(3.68) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.22 Y 0.08 D 0.08 E 0.05 F 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 174.448 CA :: 53.325 CB :: 37.587 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.121 HA :: 4.357 HB2 :: 2.541 HB3 :: 2.541 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 :: 130.428 Ave N Shift Values>> N :: 120.73(4.2) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 K 0.17 R 0.16 D 0.1 F 0.07 C 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> C :: 170.414 CA :: 42.398 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.612 HA2 :: 3.982 HA3 :: 3.675 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.493 Ave N Shift Values>> N :: 109.91(4.29) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 A 0.07 V 0.02 HN Overlap>> 1.F26 1.F26 C Shift Assignments>> C :: 171.984 CA :: 57.657 CB :: 33.078 CG1 :: 17.912 CG2 :: 17.912 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 :: 6.862 HA :: 4.042 HB :: 1.670 HG11 :: 0.686 HG12 :: 0.686 HG13 :: 0.686 HG21 :: 0.632 HG22 :: 0.632 HG23 :: 0.632 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 :: 118.928 Ave N Shift Values>> N :: 121.02(4.96) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 I 0.22 C Shift Assignments>> C :: 172.113 CA :: 59.668 CB :: 27.473 CG1 :: 18.096 CG2 :: 18.209 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.960 HA :: 4.059 HB :: 1.886 HG11 :: 0.718 HG12 :: 0.718 HG13 :: 0.718 HG21 :: 0.817 HG22 :: 0.817 HG23 :: 0.817 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 :: 131.792 Ave N Shift Values>> N :: 121.02(4.96) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.2 D 0.08 Y 0.04 F 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 172.764 CA :: 51.890 CB :: 37.733 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 :: 9.072 HA :: 4.579 HB2 :: 2.086 HB3 :: 2.952 HD21 :: 6.768 HD22 :: 7.231 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 :: 129.808 ND2 :: 114.123 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.2 Q 0.14 P 0.1 R 0.08 M 0.02 E 0.01 C Shift Assignments>> CA :: 52.414 CB :: 26.197 CG :: 33.821 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 :: 8.741 HA :: 4.487 HB2 :: 2.256 HB3 :: 1.828 HG2 :: 2.295 HG3 :: 2.401 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 :: 123.165 Ave N Shift Values>> N :: 120.68(3.68) 1.P92 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.63 G 0.31 L 0.05 C Shift Assignments>> C :: 175.050 CA :: 59.879 CB :: 25.241(A) CG :: 26.273 CD :: 47.177 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 :: 4.817 HB2 :: 1.930 HB3 :: 1.930 HG2 :: 2.270 HG3 :: 1.832 HD2 :: 3.615 HD3 :: 3.740 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) SRO Rule Breaks>> (CB > CG : 0.9931) 1.M93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.79 M 0.1 A 0.09 C Shift Assignments>> C :: 170.208 CA :: 51.392 CB :: 33.677 CG :: 28.575 CE :: 14.135 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 :: 8.643 HA :: 5.175 HB2 :: 1.373 HB3 :: 1.931 HG2 :: 1.455 HG3 :: 0.894(S) HE1 :: 1.154 HE2 :: 1.154 HE3 :: 1.154 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 :: 116.804 Ave N Shift Values>> N :: 120.1(3.88) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 P 0.19 M 0.18 K 0.13 Q 0.06 R 0.06 HN Overlap>> 1.V77 1.V77 C Shift Assignments>> C :: 171.788 CA :: 51.204 CB :: 29.883 CG :: 32.038 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 :: 8.198 HA :: 5.272 HB2 :: 1.780 HB3 :: 1.860 HG2 :: 2.054 HG3 :: 2.054 HE22 :: 6.564 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 :: 119.277 NE2 :: 109.311 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W95 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 173.335 CA :: 50.136 CB :: 32.214 CD1 :: 118.210(A) CE3 :: 114.478(A) CZ2 :: 110.23(A) CZ3 :: 122.808 CH2 :: 125.271 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 :: 8.952 HA :: 5.608 HB2 :: 3.103 HB3 :: 2.748 HD1 :: 7.018 HE1 :: 11.274 HE3 :: 7.152 HZ2 :: 6.787 HZ3 :: 6.623 HH2 :: 6.707 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.846 NE1 :: 129.873 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 I 0.06 V 0.05 A 0.01 C Shift Assignments>> C :: 173.932 CA :: 59.371 CB :: 30.737 CG1 :: 18.218 CG2 :: 18.218 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.795 HA :: 4.875 HB :: 1.858 HG11 :: 0.861 HG12 :: 0.861 HG13 :: 0.861 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.922 Ave N Shift Values>> N :: 121.02(4.96) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 A 0.04 I 0.04 V 0.02 C Shift Assignments>> C :: 171.487 CA :: 58.126 CB :: 30.899 CG1 :: 18.064 CG2 :: 18.064 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.483 HA :: 4.934 HB :: 1.829 HG11 :: 0.663 HG12 :: 0.663 HG13 :: 0.663 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 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 :: 132.918 Ave N Shift Values>> N :: 121.02(4.96) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.57 C 0.22 A 0.12 T 0.07 C Shift Assignments>> C :: 170.006 CA :: 58.471 CB :: 66.836 CG2 :: 18.263 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 :: 8.862 HA :: 4.995 HB :: 3.926 HG21 :: 0.725 HG22 :: 0.725 HG23 :: 0.725 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.728 Ave N Shift Values>> N :: 115.7(5.05) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.06 A 0.05 I 0.01 C Shift Assignments>> C :: 171.414 CA :: 58.113 CB :: 31.705 CG1 :: 18.316 CG2 :: 18.668 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.576 HA :: 4.884 HB :: 1.642 HG11 :: 0.594 HG12 :: 0.594 HG13 :: 0.594 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 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 :: 124.895 Ave N Shift Values>> N :: 121.02(4.96) 1.Y100 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 171.672 CA :: 52.541 CB :: 38.817 CD1 :: 128.069(S) CD2 :: 128.109 CE1 :: 113.131 CE2 :: 113.086(A) 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 :: 9.312 HA :: 4.952 HB2 :: 2.162 HB3 :: 2.616 HD1 :: 6.570 HD2 :: 6.570 HE1 :: 6.555 HE2 :: 6.555 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 :: 126.192 Ave N Shift Values>> N :: 120.79(4.69) 1.K101 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Anomalous N Shifts: Consistent PRTL>> A 0.63 C 0.34 C Shift Assignments>> C :: 173.795 CA :: 51.041 CB :: 33.779 CG :: 20.970 CD :: 22.539(S) CE :: 39.348 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 :: 8.883 HA :: 4.537 HB2 :: 1.055 HB3 :: 1.454 HG3 :: 0.468 HD2 :: 0.453(S) HD3 :: 0.223(A) HE2 :: 2.533 HE3 :: 2.582 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.676 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.42 C 0.28 M 0.11 Q 0.04 N 0.03 K 0.03 E 0.01 W 0.01 C Shift Assignments>> C :: 172.582 CA :: 50.834 CB :: 34.326 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 :: 9.602 HA :: 4.152 HB2 :: 2.873 HB3 :: 2.666 HD21 :: 7.199 HD22 :: 7.694 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 :: 128.486 ND2 :: 115.042 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.17 K 0.16 D 0.09 F 0.07 C 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 C Shift Assignments>> CA :: 42.429 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.852 HA2 :: 3.406 HA3 :: 3.978 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.973 Ave N Shift Values>> N :: 109.91(4.29) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 A 0.48 M 0.01 C Shift Assignments>> C :: 172.677 CA :: 51.471 CB :: 31.832 CG :: 21.857 CD :: 26.220 CE :: 39.497 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 :: 7.613 HA :: 4.604 HB2 :: 1.634 HB3 :: 1.723 HG2 :: 1.339 HG3 :: 1.259 HD2 :: 1.589 HD3 :: 1.589 HE2 :: 2.927 HE3 :: 2.927 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 :: 120.846 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.23 R 0.18 M 0.02 E 0.02 C Shift Assignments>> C :: 174.048 CA :: 55.056 CB :: 27.368 CG :: 33.039 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 :: 8.964 HA :: 3.555 HB2 :: 1.651 HB3 :: 1.757 HG2 :: 1.526(S) HG3 :: 1.526(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 :: 127.209 Ave N Shift Values>> N :: 120.68(3.68) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 I 0.27 A 0.01 HN Overlap>> 1.S78 1.S78 C Shift Assignments>> C :: 172.576 CA :: 57.994 CB :: 38.120 CG1 :: 23.548 CG2 :: 15.938 CD1 :: 12.556 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 :: 8.931 HA :: 4.592 HB :: 1.868 HG12 :: 0.632 HG13 :: 1.016 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 HD11 :: 0.475 HD12 :: 0.475 HD13 :: 0.475 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.621 Ave N Shift Values>> N :: 121.6(4.72) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 C 0.26 Q 0.24 K 0.12 E 0.08 R 0.01 C Shift Assignments>> C :: 170.185 CA :: 54.293 CB :: 30.791 CG :: 33.723 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 :: 7.439 HA :: 4.373 HB2 :: 2.221 HB3 :: 1.718 HG2 :: 2.209 HG3 :: 2.155 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 :: 123.222 Ave N Shift Values>> N :: 120.68(3.68) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.24 R 0.13 K 0.13 W 0.09 Q 0.06 E 0.05 P 0.01 C Shift Assignments>> C :: 172.501 CA :: 53.174 CB :: 31.824 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 :: 8.502 HA :: 5.147 HB2 :: 1.520 HB3 :: 1.584 HG2 :: 1.279 HG3 :: 1.279 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 :: 126.670 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K109 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 C 0.44 M 0.01 C Shift Assignments>> C :: 171.634 CA :: 51.249 CB :: 32.956 CG :: 21.561 CD :: 26.045 CE :: 39.120 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.371 HA :: 4.733 HB2 :: 1.574 HB3 :: 1.685 HG2 :: 1.334 HG3 :: 1.334 HD2 :: 1.694 HD3 :: 1.694 HE2 :: 2.933 HE3 :: 2.991 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 :: 128.071 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.54 C 0.4 P 0.05 HN Overlap>> 1.I73 1.I73 C Shift Assignments>> C :: 171.040 CA :: 53.750 CB :: 60.827 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.598 HA :: 5.434 HB2 :: 3.645 HB3 :: 3.574 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 :: 120.162 Ave N Shift Values>> N :: 116.3(3.95) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 A 0.22 L 0.2 C 0.13 C Shift Assignments>> C :: 171.408 CA :: 51.401 CB :: 43.759 CG :: 24.937 CD1 :: 22.245 CD2 :: 24.677 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 :: 9.365 HA :: 4.494 HB2 :: 1.411 HB3 :: 0.934 HG :: 1.465 HD11 :: 0.943 HD12 :: 0.943 HD13 :: 0.943 HD21 :: 1.044 HD22 :: 1.044 HD23 :: 1.044 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 :: 127.535 Ave N Shift Values>> N :: 121.98(4.07) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 A 0.06 V 0.04 I 0.02 C Shift Assignments>> C :: 171.704 CA :: 57.878 CB :: 31.402 CG1 :: 18.279 CG2 :: 18.279 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 :: 7.803 HA :: 4.354 HB :: 1.587 HG11 :: 0.688 HG12 :: 0.688 HG13 :: 0.688 HG21 :: 0.688 HG22 :: 0.688 HG23 :: 0.688 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 :: 121.571 Ave N Shift Values>> N :: 121.02(4.96) 1.F113 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.85 Y 0.13 F 0.01 C Shift Assignments>> C :: 170.540 CA :: 52.358 CB :: 38.108 CD2 :: 127.087 CE2 :: 125.722(A) Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.342 HA :: 4.796 HB2 :: 2.258 HB3 :: 1.658(S) HD1 :: 6.487 HD2 :: 6.487 HE1 :: 6.563 HE2 :: 6.563 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 :: 125.540 Ave N Shift Values>> N :: 120.69(4.18) 1.R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 K 0.19 R 0.05 C Shift Assignments>> C :: 172.310 CA :: 51.680 CB :: 31.174 CG :: 26.037 CD :: 40.270 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 :: 8.595 HA :: 4.641 HB2 :: 1.904 HB3 :: 1.594 HG2 :: 1.486 HG3 :: 1.380 HD2 :: 3.118 HD3 :: 3.118 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 :: 119.643 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.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.17 L 0.15 C 0.11 F 0.07 K 0.07 Y 0.06 R 0.01 C Shift Assignments>> C :: 174.752 CA :: 53.679 CB :: 40.715 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 :: 8.897 HA :: 4.267 HB2 :: 3.114 HB3 :: 2.313 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 :: 117.466 Ave N Shift Values>> N :: 120.73(4.2) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 L 0.22 D 0.14 F 0.1 C 0.07 R 0.07 Y 0.06 I 0.03 N 0.02 C Shift Assignments>> C :: 171.943 CA :: 41.847 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.313 HA2 :: 4.159 HA3 :: 3.602 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.618 Ave N Shift Values>> N :: 109.91(4.29) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.12 R 0.1 A 0.08 K 0.03 C Shift Assignments>> C :: 173.207 CA :: 54.293 CB :: 30.061 CG :: 22.970 CD :: 25.581 CE :: 40.512 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 :: 7.592 HA :: 4.198 HB2 :: 1.803 HB3 :: 2.512 HG2 :: 1.582 HG3 :: 1.090 HD2 :: 1.796 HD3 :: 2.027 HE2 :: 3.199 HE3 :: 2.671 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 :: 121.755 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.26 K 0.22 M 0.09 R 0.05 E 0.03 P 0.02 C Shift Assignments>> CA :: 52.497 CB :: 29.244 CG :: 33.448 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 :: 8.832 HA :: 4.593 HB2 :: 2.154 HB3 :: 1.932 HG2 :: 2.463 HG3 :: 2.290 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 129.965 Ave N Shift Values>> N :: 120.68(3.68) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.42 A 0.01 HN Overlap>> 1.Y127 1.Y127 C Shift Assignments>> C :: 172.633 CA :: 58.937 CB :: 36.279 CG1 :: 26.072 CG2 :: 18.487 CD1 :: 14.260 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 :: 7.812 HA :: 3.910 HB :: 1.644 HG12 :: 1.380 HG13 :: 1.065 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.567 Ave N Shift Values>> N :: 121.6(4.72) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 C 0.12 P 0.01 C Shift Assignments>> C :: 171.938 CA :: 54.127 CB :: 61.639 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.197 HA :: 4.621 HB2 :: 3.728 HB3 :: 3.844 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 :: 120.170 Ave N Shift Values>> N :: 116.3(3.95) 1.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.56 C 0.22 T 0.15 A 0.05 C Shift Assignments>> C :: 171.888 CA :: 58.968 CB :: 66.687 CG2 :: 18.875 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 :: 8.387 HA :: 4.283 HB :: 4.281 HG21 :: 1.076 HG22 :: 1.076 HG23 :: 1.076 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 :: 115.284 Ave N Shift Values>> N :: 115.7(5.05) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.18 D 0.11 Y 0.04 F 0.03 L 0.01 C Shift Assignments>> C :: 173.277 CA :: 51.282 CB :: 38.218 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 :: 8.330 HA :: 4.726 HB2 :: 2.647 HB3 :: 2.552 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 :: 121.007 Ave N Shift Values>> N :: 120.73(4.2) 1.D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 D 0.2 C 0.17 Y 0.12 F 0.11 L 0.05 E 0.01 I 0.01 HN Overlap>> 1.R24 1.R24 C Shift Assignments>> C :: 173.212 CA :: 54.368 CB :: 39.086 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 :: 8.191 HA :: 4.493 HB2 :: 2.865 HB3 :: 2.661 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 :: 121.462 Ave N Shift Values>> N :: 120.73(4.2) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 C 0.21 L 0.11 G 0.01 C Shift Assignments>> C :: 172.477 CA :: 51.488 CB :: 41.469 CG :: 24.512 CD1 :: 23.725 CD2 :: 20.985 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 :: 7.721 HA :: 4.428 HB2 :: 1.680 HB3 :: 1.388 HG :: 1.047 HD11 :: 0.613 HD12 :: 0.613 HD13 :: 0.613 HD21 :: 0.802 HD22 :: 0.802 HD23 :: 0.802 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 :: 117.572 Ave N Shift Values>> N :: 121.98(4.07) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.32 M 0.05 Y 0.03 E 0.03 D 0.02 F 0.01 K 0.01 C Shift Assignments>> C :: 170.015 CA :: 51.306 CB :: 36.548 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 :: 9.065 HA :: 4.862 HB2 :: 2.555 HB3 :: 2.738 HD21 :: 6.739 HD22 :: 7.608 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 :: 125.852 ND2 :: 112.256 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 C 0.16 L 0.01 C Shift Assignments>> C :: 173.620 CA :: 50.959 CB :: 40.309 CD1 :: 22.584 CD2 :: 19.578 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 :: 9.033 HA :: 4.611 HB2 :: 1.655 HB3 :: 1.778 HG :: 1.473 HD11 :: 0.781 HD12 :: 0.781 HD13 :: 0.781 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 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 :: 124.201 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>> C 0.99 HN Overlap>> 1.I119 1.I119 C Shift Assignments>> C :: 169.415 CA :: 55.513 CB :: 38.914 CD1 :: 128.185 CD2 :: 128.198 CE1 :: 115.147 CE2 :: 115.147 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 :: 7.812 HA :: 4.748 HB2 :: 2.776 HB3 :: 2.402 HD1 :: 6.763 HD2 :: 6.763 HE1 :: 6.446 HE2 :: 6.446 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.562 Ave N Shift Values>> N :: 120.79(4.69) 1.Y128 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 Y 0.01 C Shift Assignments>> C :: 169.997 CA :: 54.317 CB :: 39.406 CD1 :: 129.214 CD2 :: 129.214 CE1 :: 112.670 CE2 :: 112.669(A) 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 :: 8.390 HA :: 4.424 HB2 :: 3.283 HB3 :: 2.346 HD1 :: 6.979 HD2 :: 6.979 HE1 :: 6.515 HE2 :: 6.515 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 :: 126.347 Ave N Shift Values>> N :: 120.79(4.69) 1.N129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.24 D 0.05 Y 0.03 F 0.02 M 0.01 E 0.01 C Shift Assignments>> CA :: 50.956 CB :: 37.426 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 :: 7.799 HA :: 4.428 HB2 :: 3.104 HB3 :: 2.708 HD21 :: 6.711 HD22 :: 7.314 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 :: 123.791 ND2 :: 110.708 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 106 #Clerical: 0 #Suspicious: 8 #Anomalous: 6 #Mistyped: 9 #Indeterminable: 0 Typing Results: #Consistent: 114 #Suspicious: 6 #Mistyped: 9 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 127 #Suspicious: 2 C Shift Results: #Consistent: 512 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 12 H Shift Results: #Consistent: 827 #Duplicate: 0 #Unknown: 0 #Suspicious: 24 #Anomalous: 1 N Shift Results: #Consistent: 134 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K1 Typing: Suspicious 1.K1 C = 167.867(A), Expected = 176.46, Std = 2.0500, ChiSquare = 2.7686e-05 1.K1 CA = 40.726(A), Expected = 56.84, Std = 2.2500, ChiSquare = 7.9637e-13 1.K1 HB2 = 3.819(S), Expected = 1.79, Std = 0.2500, ChiSquare = 4.8180e-16 1.K1 HB3 = 3.819(S), Expected = 1.78, Std = 0.2600, ChiSquare = 4.4234e-15 1.Y13 Typing: Suspicious 1.Y13 CE2 = 112.575(A), Expected = 117.91, Std = 2.6000, ChiSquare = 4.0177e-02 1.Y13 HB2 = 1.269(S), Expected = 2.91, Std = 0.3700, ChiSquare = 9.2015e-06 1.Y13 HB3 = 1.269(S), Expected = 2.91, Std = 0.3700, ChiSquare = 9.2015e-06 1.I17 CG2 = 11.330(S), Expected = 17.36, Std = 1.6000, ChiSquare = 1.6407e-04 1.I17 HD11 = -0.305(S), Expected = 0.70, Std = 0.3000, ChiSquare = 8.0812e-04 1.I17 HD12 = -0.305(S), Expected = 0.70, Std = 0.3000, ChiSquare = 8.0812e-04 1.I17 HD13 = -0.305(S), Expected = 0.70, Std = 0.3000, ChiSquare = 8.0812e-04 1.Q19 HB3 = 0.756(S), Expected = 2.04, Std = 0.2900, ChiSquare = 9.5293e-06 1.F23 Typing: Suspicious 1.F26 Typing: Mistyped 1.F26 CE1 = 126.096(S), Expected = 130.48, Std = 1.2900, ChiSquare = 6.7769e-04 1.F26 CE2 = 126.096(A), Expected = 130.60, Std = 0.9700, ChiSquare = 3.4289e-06 1.T37 Typing: Mistyped 1.T37 CG2 = 16.419(S), Expected = 21.44, Std = 1.3900, ChiSquare = 3.0357e-04 1.P51 Typing: Mistyped 1.P51 CG = 21.834(S), Expected = 27.14, Std = 1.1800, ChiSquare = 6.9045e-06 1.L59 Typing: Suspicious 1.V61 Typing: Mistyped 1.V61 CG1 = 15.599(S), Expected = 21.38, Std = 1.5300, ChiSquare = 1.5782e-04 1.G70 Typing: Mistyped 1.K71 HE2 = 3.755(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.7073e-05 1.K71 HE3 = 3.988(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.2232e-07 1.K71 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K71 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.F75 Typing: Mistyped 1.F75 CE1 = 120.834(S), Expected = 130.48, Std = 1.2900, ChiSquare = 7.5739e-14 1.F75 CE2 = 120.832(A), Expected = 130.60, Std = 0.9700, ChiSquare = 7.4900e-24 1.F75 HB2 = 1.609(S), Expected = 2.99, Std = 0.3700, ChiSquare = 1.8964e-04 1.F75 HB3 = 1.609(S), Expected = 2.97, Std = 0.3800, ChiSquare = 3.4152e-04 1.V81 HB = 0.502(S), Expected = 1.99, Std = 0.3300, ChiSquare = 6.5106e-06 1.V81 HG11 = -0.711(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.2223e-09 1.V81 HG12 = -0.711(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.2223e-09 1.V81 HG13 = -0.711(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.2223e-09 1.V81 HG21 = -0.130(S), Expected = 0.83, Std = 0.2900, ChiSquare = 9.3181e-04 1.V81 HG22 = -0.130(S), Expected = 0.83, Std = 0.2900, ChiSquare = 9.3181e-04 1.V81 HG23 = -0.130(S), Expected = 0.83, Std = 0.2900, ChiSquare = 9.3181e-04 1.P92 Typing: Mistyped 1.P92 CB = 25.241(A), Expected = 31.81, Std = 1.5400, ChiSquare = 1.9938e-05 1.P92 SRO Rule Break>> CB > CG : 0.993121238177128 1.M93 HG3 = 0.894(S), Expected = 2.41, Std = 0.4000, ChiSquare = 1.5065e-04 1.W95 Typing: Suspicious 1.W95 CD1 = 118.210(A), Expected = 126.16, Std = 1.7600, ChiSquare = 6.2708e-06 1.W95 CE3 = 114.478(A), Expected = 120.38, Std = 1.5000, ChiSquare = 8.3312e-05 1.W95 CZ2 = 110.23(A), Expected = 114.19, Std = 1.0900, ChiSquare = 2.8012e-04 1.Y100 Typing: Suspicious 1.Y100 CD1 = 128.069(S), Expected = 132.54, Std = 1.3500, ChiSquare = 9.2681e-04 1.Y100 CE2 = 113.086(A), Expected = 117.91, Std = 2.6000, ChiSquare = 6.3542e-02 1.K101 Typing: Mistyped 1.K101 CD = 22.539(S), Expected = 28.78, Std = 1.3900, ChiSquare = 7.1247e-06 1.K101 HD2 = 0.453(S), Expected = 1.61, Std = 0.2500, ChiSquare = 3.6921e-06 1.K101 HD3 = 0.223(A), Expected = 1.61, Std = 0.2500, ChiSquare = 2.8896e-08 1.E105 HG2 = 1.526(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.8896e-04 1.E105 HG3 = 1.526(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.8896e-04 1.K109 Typing: Mistyped 1.F113 CE2 = 125.722(A), Expected = 130.60, Std = 0.9700, ChiSquare = 4.9339e-07 1.F113 HB3 = 1.658(S), Expected = 2.97, Std = 0.3800, ChiSquare = 5.5515e-04 1.Y128 CE2 = 112.669(A), Expected = 117.91, Std = 2.6000, ChiSquare = 4.3824e-02