Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.32 L 0.29 K 0.09 C 0.07 D 0.07 F 0.05 Y 0.03 G 0.03 I 0.01 C Shift Assignments>> C :: 171.117 CA :: 42.898 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.223 HA2 :: 3.842 HA3 :: 3.842 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 C 0.22 L 0.02 C Shift Assignments>> C :: 174.497 CA :: 51.645 CB :: 40.965 CG :: 24.150 CD1 :: 20.713 CD2 :: 23.442 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 :: 7.820 HA :: 4.153 HB2 :: 1.496 HB3 :: 1.082 HG :: 1.509 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 HD21 :: 0.734 HD22 :: 0.734 HD23 :: 0.734 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 :: 119.147 Ave N Shift Values>> N :: 121.98(4.07) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.19 D 0.1 Y 0.05 F 0.03 E 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 174.231 CA :: 52.127 CB :: 38.005 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 :: 8.087 HA :: 4.420 HB2 :: 2.792 HB3 :: 2.515 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 :: 120.708 Ave N Shift Values>> N :: 120.73(4.2) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.25 K 0.21 R 0.15 E 0.04 M 0.01 C Shift Assignments>> C :: 175.769 CA :: 56.225 CB :: 27.157 CG :: 33.455 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 :: 8.570 HA :: 3.885 HB2 :: 2.036 HB3 :: 1.897 HG2 :: 2.247 HG3 :: 2.318 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 :: 127.393 Ave N Shift Values>> N :: 120.68(3.68) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 HN Overlap>> 1.D53 1.D53 C Shift Assignments>> C :: 174.703 CA :: 59.282 CB :: 60.047 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.338 HA :: 4.095 HB2 :: 3.874 HB3 :: 3.874 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 :: 114.584 Ave N Shift Values>> N :: 116.3(3.95) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.35 C Shift Assignments>> C :: 174.824 CA :: 63.556 CB :: 29.245 CG1 :: 19.419 CG2 :: 20.712 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 :: 7.314 HA :: 3.618 HB :: 2.001 HG11 :: 0.617 HG12 :: 0.617 HG13 :: 0.617 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 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 :: 124.415 Ave N Shift Values>> N :: 121.02(4.96) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 HN Overlap>> 1.M49 1.M49 C Shift Assignments>> C :: 175.103 CA :: 64.103 CB :: 35.414 CG1 :: 27.519 CG2 :: 15.445 CD1 :: 11.633 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 :: 7.274 HA :: 3.237 HB :: 1.862 HG12 :: 1.617 HG13 :: 0.649 HG21 :: 0.720 HG22 :: 0.720 HG23 :: 0.720 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.738 Ave N Shift Values>> N :: 121.6(4.72) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.33 C Shift Assignments>> C :: 175.261 CA :: 61.945 CB :: 35.356 CG1 :: 26.861 CG2 :: 15.248 CD1 :: 10.126 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 :: 7.965 HA :: 3.629 HB :: 1.799 HG12 :: 1.524 HG13 :: 1.234 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 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 :: 116.677 Ave N Shift Values>> N :: 121.6(4.72) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.3 K 0.25 Q 0.06 M 0.02 C Shift Assignments>> C :: 176.593 CA :: 56.889 CB :: 26.300 CG :: 31.870 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 :: 7.433 HA :: 3.975 HB2 :: 2.071 HB3 :: 2.201 HG2 :: 2.483 HG3 :: 2.204 HE21 :: 6.639 HE22 :: 7.165 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 :: 119.408 NE2 :: 109.870 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.36 A 0.13 C Shift Assignments>> C :: 177.102 CA :: 55.960 CB :: 40.307 CG :: 25.463 CD1 :: 24.040 CD2 :: 21.380 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 :: 4.271 HB2 :: 1.889 HB3 :: 1.889 HG :: 1.890 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 HD21 :: 0.782 HD22 :: 0.782 HD23 :: 0.782 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 :: 119.356 Ave N Shift Values>> N :: 121.98(4.07) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 179.901 CA :: 63.232 CB :: 29.574 CG1 :: 19.030 CG2 :: 22.076 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 :: 4.173 HB :: 2.222 HG11 :: 0.933 HG12 :: 0.933 HG13 :: 0.933 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 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 :: 124.066 Ave N Shift Values>> N :: 121.02(4.96) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.22 K 0.16 E 0.09 R 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 175.915 CA :: 56.472 CB :: 26.747 CG :: 34.643 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 :: 8.389 HA :: 3.978 HB2 :: 2.091 HB3 :: 2.020 HG2 :: 2.187 HG3 :: 2.459 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 :: 121.147 Ave N Shift Values>> N :: 120.68(3.68) 1.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.44 A 0.07 HN Overlap>> 1.C26 1.C26 C Shift Assignments>> C :: 173.855 CA :: 54.514 CB :: 30.972 CG :: 30.461 CE :: 15.094 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 :: 7.454 HA :: 4.199 HB2 :: 2.372 HB3 :: 2.164 HG2 :: 2.575 HG3 :: 2.943 HE1 :: 2.151 HE2 :: 2.151 HE3 :: 2.151 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 :: 116.627 Ave N Shift Values>> N :: 120.1(3.88) 1.G20 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 :: 171.747 CA :: 42.416 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.972 HA2 :: 4.002 HA3 :: 3.513 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.047 Ave N Shift Values>> N :: 109.91(4.29) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 F 0.14 C Shift Assignments>> C :: 170.850 CA :: 53.787 CB :: 36.872 CD1 :: 129.107 CD2 :: 129.107 CE1 :: 129.528 CE2 :: 129.528 CZ :: 127.846 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 :: 6.952 HA :: 4.928 HB2 :: 2.565 HB3 :: 2.843 HD1 :: 7.390 HD2 :: 7.390 HE1 :: 7.283 HE2 :: 7.283 HZ :: 7.207 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 :: 119.476 Ave N Shift Values>> N :: 120.69(4.18) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.87 P 0.06 G 0.06 C Shift Assignments>> C :: 176.884 CA :: 60.427 CB :: 29.886 CG :: 25.683 CD :: 48.245 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 :: 4.478 HB2 :: 2.488 HB3 :: 1.862 HG2 :: 2.071 HG3 :: 2.244 HD2 :: 3.613 HD3 :: 4.257 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.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 M 0.14 C Shift Assignments>> C :: 175.382 CA :: 57.689 CB :: 29.367 CG :: 29.262 CE :: 14.879 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.145 HA :: 3.908 HB2 :: 2.176 HB3 :: 1.946 HG2 :: 2.465 HG3 :: 2.123 HE1 :: 1.971 HE2 :: 1.971 HE3 :: 1.971 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 :: 125.335 Ave N Shift Values>> N :: 120.1(3.88) 1.D24 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 0.1 D 0.08 E 0.06 I 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 176.714 CA :: 56.281 CB :: 38.509 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 :: 9.034 HA :: 4.207 HB2 :: 2.234 HB3 :: 2.325 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 :: 116.046 Ave N Shift Values>> N :: 120.73(4.2) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.45 C 0.01 C Shift Assignments>> C :: 176.375 CA :: 52.504 CB :: 15.827 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.791 HA :: 3.867 HB1 :: 0.741 HB2 :: 0.741 HB3 :: 0.741 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.320 Ave N Shift Values>> N :: 123.23(3.7) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.16 K 0.11 V 0.07 P 0.06 R 0.06 L 0.03 T 0.02 W 0.02 Q 0.01 HN Overlap>> 1.M19 1.M19 C Shift Assignments>> C :: 173.879 CA :: 61.163 CB :: 25.062 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.500 HA :: 3.676 HB2 :: 3.129 HB3 :: 2.443 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 :: 116.621 Ave N Shift Values>> N :: 119.95(4.79) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 L 0.33 K 0.29 R 0.02 C Shift Assignments>> C :: 175.842 CA :: 57.755 CB :: 27.518 CG :: 25.895 CD :: 40.539 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 :: 7.983 HA :: 3.544 HB2 :: 1.603 HB3 :: 1.603 HG2 :: 1.608 HG3 :: 1.273 HD2 :: 3.038 HD3 :: 3.092 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 :: 117.036 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.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 K 0.13 L 0.04 R 0.04 C Shift Assignments>> C :: 173.637 CA :: 57.859 CB :: 29.656 CG :: 24.698 CD :: 27.472 CE :: 39.769 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 :: 7.045 HA :: 3.341 HB2 :: 1.620 HB3 :: 1.304 HG2 :: 1.536 HG3 :: 1.189 HD2 :: 1.728 HD3 :: 1.767 HE2 :: 2.850 HE3 :: 2.954 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 :: 116.858 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.25 C 0.01 C Shift Assignments>> C :: 177.611 CA :: 52.431 CB :: 17.730 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.840 HA :: 2.948 HB1 :: 1.583 HB2 :: 1.583 HB3 :: 1.583 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.415 Ave N Shift Values>> N :: 123.23(3.7) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 174.558 CA :: 63.044 CB :: 29.533 CG1 :: 21.064 CG2 :: 21.718 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 :: 7.263 HA :: 3.467 HB :: 1.804 HG11 :: 0.931 HG12 :: 0.931 HG13 :: 0.931 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.057 Ave N Shift Values>> N :: 121.02(4.96) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 Y 0.26 H 0.01 C Shift Assignments>> C :: 177.611 CA :: 59.600 CB :: 36.231 CD1 :: 130.481 CD2 :: 130.481 CE1 :: 115.726 CE2 :: 115.726 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 :: 7.816 HA :: 3.760 HB2 :: 2.691 HB3 :: 2.392 HD1 :: 6.071 HD2 :: 6.071 HE1 :: 6.414 HE2 :: 6.414 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 :: 120.964 Ave N Shift Values>> N :: 120.79(4.69) 1.Y32 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 Y 0.16 H 0.05 C Shift Assignments>> C :: 174.849 CA :: 58.504 CB :: 34.864 CD1 :: 131.019 CD2 :: 131.019 CE1 :: 114.881 CE2 :: 114.881(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 :: 8.878 HA :: 3.978 HB2 :: 2.862 HB3 :: 1.778 HD1 :: 6.731 HD2 :: 6.731 HE1 :: 6.717 HE2 :: 6.717 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 :: 116.644 Ave N Shift Values>> N :: 120.79(4.69) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.49 C 0.23 T 0.18 A 0.08 C Shift Assignments>> C :: 172.910 CA :: 58.599 CB :: 66.749 CG2 :: 19.180 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.907 HA :: 4.432 HB :: 4.350 HG21 :: 1.224 HG22 :: 1.224 HG23 :: 1.224 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 :: 105.515 Ave N Shift Values>> N :: 115.7(5.05) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.740 CA :: 44.669 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.378 HA2 :: 3.629 HA3 :: 3.629 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.309 Ave N Shift Values>> N :: 109.91(4.29) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 N 0.21 M 0.13 P 0.05 E 0.04 K 0.04 Q 0.03 Y 0.02 C Shift Assignments>> C :: 172.959 CA :: 51.534 CB :: 35.411 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 :: 8.687 HA :: 4.257 HB2 :: 3.164 HB3 :: 2.234 HD21 :: 6.633 HD22 :: 7.395 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 :: 117.621 ND2 :: 111.939 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S36 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 :: 172.934 CA :: 55.408 CB :: 62.103 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.550 HA :: 4.513 HB2 :: 3.885 HB3 :: 3.699 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 :: 113.778 Ave N Shift Values>> N :: 116.3(3.95) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.24 D 0.12 R 0.09 F 0.09 C 0.07 Y 0.06 I 0.03 N 0.01 C Shift Assignments>> C :: 172.377 CA :: 41.998 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.537 HA2 :: 4.606 HA3 :: 3.664 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.688 Ave N Shift Values>> N :: 109.91(4.29) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.44 C 0.01 C Shift Assignments>> C :: 176.545 CA :: 53.114 CB :: 16.231 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.844 HA :: 3.763 HB1 :: 1.315 HB2 :: 1.315 HB3 :: 1.315 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.734 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>> C 0.39 K 0.22 Q 0.18 R 0.07 E 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 176.775 CA :: 58.123 CB :: 26.366 CG :: 34.263 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 :: 8.566 HA :: 3.862 HB2 :: 1.896 HB3 :: 1.982 HG2 :: 2.211 HG3 :: 2.211 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.961 Ave N Shift Values>> N :: 120.68(3.68) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.44 C 0.01 C Shift Assignments>> C :: 178.847 CA :: 52.427 CB :: 16.168 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.424 HA :: 4.095 HB1 :: 1.327 HB2 :: 1.327 HB3 :: 1.327 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.828 Ave N Shift Values>> N :: 123.23(3.7) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.4 C 0.01 C Shift Assignments>> C :: 176.908 CA :: 52.751 CB :: 16.711 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.338 HA :: 4.030 HB1 :: 1.225 HB2 :: 1.225 HB3 :: 1.225 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.739 Ave N Shift Values>> N :: 123.23(3.7) 1.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.28 K 0.22 M 0.11 C Shift Assignments>> C :: 175.769 CA :: 55.502 CB :: 29.409 CG :: 30.043 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 :: 8.841 HA :: 4.035 HB2 :: 2.120 HB3 :: 2.120 HG2 :: 2.491 HG3 :: 2.491 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 :: 118.705 Ave N Shift Values>> N :: 120.1(3.88) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.16 M 0.15 N 0.13 K 0.07 Y 0.05 Q 0.04 F 0.02 C Shift Assignments>> C :: 175.673 CA :: 54.097 CB :: 35.781 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 :: 7.860 HA :: 4.372 HB2 :: 2.785 HB3 :: 2.858 HD21 :: 6.944 HD22 :: 7.548 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.968 ND2 :: 112.485 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 W 0.15 C Shift Assignments>> C :: 177.029 CA :: 60.745 CB :: 27.706 CD1 :: 124.644 CE3 :: 117.641 CZ2 :: 112.421 CZ3 :: 118.838 CH2 :: 121.392 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 :: 7.790 HA :: 4.089 HB2 :: 3.668 HB3 :: 3.164 HD1 :: 7.120 HE1 :: 9.674 HE3 :: 7.211 HZ2 :: 6.712 HZ3 :: 6.897 HH2 :: 6.958 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 :: 121.911 NE1 :: 130.181 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.25 I 0.02 C Shift Assignments>> C :: 175.188 CA :: 65.666 CB :: 29.081 CG1 :: 18.880 CG2 :: 20.774 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 :: 8.478 HA :: 3.553 HB :: 2.043 HG11 :: 0.262 HG12 :: 0.262 HG13 :: 0.262 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 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 :: 119.255 Ave N Shift Values>> N :: 121.02(4.96) 1.M46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 M 0.24 A 0.04 C Shift Assignments>> C :: 176.399 CA :: 55.354 CB :: 29.245 CG :: 29.957 CE :: 14.678 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 :: 8.133 HA :: 4.105 HB2 :: 1.990 HB3 :: 2.031 HG2 :: 2.594 HG3 :: 2.722 HE1 :: 2.029 HE2 :: 2.029 HE3 :: 2.029 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 114.488 Ave N Shift Values>> N :: 120.1(3.88) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.765 CA :: 57.535 CB :: 61.502 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.405 HA :: 4.122 HB2 :: 3.385 HB3 :: 3.554 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 :: 111.320 Ave N Shift Values>> N :: 116.3(3.95) 1.H48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.58 H 0.39 W 0.02 C Shift Assignments>> C :: 172.280 CA :: 54.403 CB :: 25.918 CD2 :: 117.282 CE1 :: 132.485 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.369 HA :: 4.177 HB2 :: 2.782 HB3 :: 1.420(S) HD2 :: 5.963 HE1 :: 7.962 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.112 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.M49 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.41 C 0.35 K 0.19 M 0.01 HN Overlap>> 1.I13 1.I13 C Shift Assignments>> C :: 173.007 CA :: 55.495 CB :: 29.765 CG :: 28.318 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 :: 7.217 HA :: 2.108(A) HB2 :: 1.652 HB3 :: 1.652 HG2 :: 2.134 HG3 :: 2.261 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 :: 118.775 Ave N Shift Values>> N :: 120.1(3.88) SRO Rule Breaks>> (HA > HG2 : 0.9982) (HA > HG3 : 0.9991) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.17 D 0.13 Y 0.04 F 0.03 L 0.01 C Shift Assignments>> C :: 173.758 CA :: 51.440 CB :: 38.444 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 :: 7.870 HA :: 4.606 HB2 :: 2.633 HB3 :: 2.345 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 :: 116.781 Ave N Shift Values>> N :: 120.73(4.2) 1.D51 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>> C :: 174.606 CA :: 50.804 CB :: 37.470 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 :: 7.917 HA :: 4.606 HB2 :: 2.814 HB3 :: 2.865 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 :: 123.728 Ave N Shift Values>> N :: 120.73(4.2) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.68 P 0.22 G 0.09 C Shift Assignments>> C :: 174.921 CA :: 62.651 CB :: 29.409 CG :: 25.298 CD :: 48.367 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 :: 4.330 HB2 :: 2.326 HB3 :: 1.908 HG2 :: 2.010 HG3 :: 2.010 HD2 :: 3.776 HD3 :: 3.879 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.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 C 0.21 D 0.09 Y 0.03 F 0.02 HN Overlap>> 1.S11 1.S11 C Shift Assignments>> C :: 174.727 CA :: 50.640 CB :: 38.062 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.302 HA :: 4.606 HB2 :: 2.501 HB3 :: 2.827 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.591 Ave N Shift Values>> N :: 120.73(4.2) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 F 0.35 Y 0.01 C Shift Assignments>> C :: 173.661 CA :: 58.541 CB :: 38.127 CD1 :: 130.756 CD2 :: 130.756 CE1 :: 128.299 CE2 :: 128.299 CZ :: 126.844 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 :: 7.645 HA :: 4.388 HB2 :: 3.622 HB3 :: 2.900 HD1 :: 7.174 HD2 :: 7.174 HE1 :: 7.301 HE2 :: 7.301 HZ :: 7.018 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 :: 121.450 Ave N Shift Values>> N :: 120.69(4.18) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.12 G 0.06 C 0.02 C Shift Assignments>> C :: 174.219 CA :: 49.208 CB :: 16.661 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.398 HA :: 3.975 HB1 :: 1.362 HB2 :: 1.362 HB3 :: 1.362 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.543 Ave N Shift Values>> N :: 123.23(3.7) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.55 C 0.28 M 0.04 N 0.04 G 0.02 Q 0.01 K 0.01 C Shift Assignments>> C :: 171.238 CA :: 49.318 CB :: 34.673 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 :: 7.433 HA :: 4.671 HB2 :: 2.731 HB3 :: 2.797 HD21 :: 6.955 HD22 :: 7.695 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 :: 118.057 ND2 :: 111.257 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.87 G 0.09 P 0.03 C Shift Assignments>> C :: 174.291 CA :: 60.710 CB :: 30.043 CG :: 24.969 CD :: 48.058 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 :: 4.097 HB2 :: 2.085 HB3 :: 1.592 HG2 :: 1.862 HG3 :: 1.862 HD2 :: 3.493 HD3 :: 3.753 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.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 C 0.29 L 0.07 C Shift Assignments>> C :: 173.443 CA :: 52.645 CB :: 40.508 CG :: 24.484 CD1 :: 22.975 CD2 :: 20.964 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 :: 8.386 HA :: 4.025 HB2 :: 1.396 HB3 :: 1.057 HG :: 0.952 HD11 :: 0.172 HD12 :: 0.172 HD13 :: 0.172 HD21 :: 0.413 HD22 :: 0.413 HD23 :: 0.413 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 :: 122.987 Ave N Shift Values>> N :: 121.98(4.07) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 I 0.04 C Shift Assignments>> C :: 172.983 CA :: 57.800 CB :: 35.799 CG1 :: 24.558 CG2 :: 14.853 CD1 :: 9.908 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 :: 8.280 HA :: 3.990 HB :: 1.652 HG12 :: 1.315 HG13 :: 0.958 HG21 :: 0.659 HG22 :: 0.659 HG23 :: 0.659 HD11 :: 0.675 HD12 :: 0.675 HD13 :: 0.675 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 :: 127.397 Ave N Shift Values>> N :: 121.6(4.72) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 C 0.25 L 0.01 C Shift Assignments>> C :: 172.813 CA :: 50.180 CB :: 39.054 CG :: 24.720 CD1 :: 22.754 CD2 :: 20.645 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 :: 8.260 HA :: 4.351 HB2 :: 1.269 HB3 :: 1.370 HG :: 1.244 HD11 :: 0.592 HD12 :: 0.592 HD13 :: 0.592 HD21 :: 0.455 HD22 :: 0.455 HD23 :: 0.455 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 :: 128.490 Ave N Shift Values>> N :: 121.98(4.07) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.86 G 0.07 P 0.05 C Shift Assignments>> CA :: 60.915 CB :: 29.513 CG :: 25.238 CD :: 48.204 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 :: 4.294 HB2 :: 1.824 HB3 :: 2.199 HG2 :: 1.985 HG3 :: 1.931 HD2 :: 3.684 HD3 :: 3.494 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.G62 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 K 0.07 D 0.05 F 0.04 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.091 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.409 HA2 :: 3.873 HA3 :: 3.873 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.403 Ave N Shift Values>> N :: 109.91(4.29) 1.S63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.76 G 0.22 C Shift Assignments>> C :: 175.042 CA :: 60.886 CB :: 29.738 CG :: 24.805 CD :: 47.423 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 :: 4.374 HB2 :: 2.176 HB3 :: 1.850 HG2 :: 1.908 HG3 :: 1.908 HD2 :: 3.513 HD3 :: 3.513 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.S72 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 :: 172.304 CA :: 56.016 CB :: 61.650 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.430 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 :: 116.032 Ave N Shift Values>> N :: 116.3(3.95) 1.S73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 71 #Clerical: 0 #Suspicious: 1 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 58 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 16 Shift Relative Order (SRO) Results: #Consistent: 73 #Suspicious: 1 C Shift Results: #Consistent: 248 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 385 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 N Shift Results: #Consistent: 57 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y32 CE2 = 114.881(A), Expected = 117.91, Std = 2.6000, ChiSquare = 2.4402e-01 1.H48 HB3 = 1.420(S), Expected = 3.11, Std = 0.4500, ChiSquare = 1.7296e-04 1.M49 HA = 2.108(A), Expected = 4.39, Std = 0.4600, ChiSquare = 7.0178e-07 1.M49 SRO Rule Break>> HA > HG2 : 0.998212689901698 1.M49 SRO Rule Break>> HA > HG3 : 0.999074074074074