Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 182.218(S) CA :: 45.278 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.574 HA2 :: 4.167 HA3 :: 4.167 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.581 Ave N Shift Values>> N :: 109.91(4.29) 1.S2 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.D53 1.D53 C Shift Assignments>> CA :: 56.058 CB :: 73.640(A) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.718 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 :: 120.242 Ave N Shift Values>> N :: 116.3(3.95) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 C 0.02 C Shift Assignments>> CA :: 52.796 CB :: 19.073 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.270 HA :: 4.255 HB1 :: 1.122 HB2 :: 1.122 HB3 :: 1.122 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.382 Ave N Shift Values>> N :: 123.23(3.7) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 C 0.16 W 0.14 M 0.13 Q 0.13 E 0.13 K 0.09 C Shift Assignments>> C :: 180.249 CA :: 55.247 CB :: 30.734 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 :: 8.369 HA :: 4.376 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 2.464 HG3 :: 2.464 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.681 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N5 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.24 C 0.14 Y 0.09 F 0.09 L 0.07 C Shift Assignments>> C :: 180.338(A) CA :: 53.778 CB :: 39.425 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 :: 8.855 HA :: 5.295 HB2 :: 2.670 HB3 :: 2.670 HD21 :: 5.906 HD22 :: 7.815 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 :: 125.011 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.48 HN Overlap>> 1.F65 1.F65 C Shift Assignments>> C :: 180.658 CA :: 58.746 CB :: 40.589 CG1 :: 28.373 CD1 :: 14.279 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 :: 9.029 HA :: 4.442 HB :: 1.817 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 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 :: 126.410 Ave N Shift Values>> N :: 121.6(4.72) 1.T7 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 182.475(A) CA :: 61.385 CB :: 69.377 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 :: 8.646 HA :: 4.934 HB :: 3.884 HG21 :: 0.961 HG22 :: 0.961 HG23 :: 0.961 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 :: 123.534 Ave N Shift Values>> N :: 115.7(5.05) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.35 L 0.28 C 0.23 M 0.08 K 0.02 G 0.01 P 0.01 C Shift Assignments>> C :: 180.516 CA :: 49.905 CB :: 22.770 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.962 HA :: 4.524 HB1 :: 1.167 HB2 :: 1.167 HB3 :: 1.167 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.785 Ave N Shift Values>> N :: 123.23(3.7) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.14 K 0.06 C Shift Assignments>> CA :: 55.318 CB :: 31.026 CD :: 43.806 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 :: 8.253 HA :: 4.475 HB2 :: 1.604 HB3 :: 1.407 HG2 :: 1.295 HG3 :: 1.295 HD2 :: 3.071 HD3 :: 3.071 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 :: 121.142 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 179.374 CA :: 62.983 CB :: 37.678 CG1 :: 27.351 CG2 :: 17.040 CD1 :: 13.885 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 :: 8.033 HA :: 3.416 HB :: 1.475 HG12 :: 1.065 HG13 :: 1.065 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.711 Ave N Shift Values>> N :: 121.6(4.72) 1.G11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 182.099(S) CA :: 44.963 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.422 HA2 :: 4.130 HA3 :: 3.294 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.163 Ave N Shift Values>> N :: 109.91(4.29) 1.E12 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 C 0.16 R 0.14 K 0.14 W 0.13 E 0.11 M 0.08 L 0.01 C Shift Assignments>> C :: 182.012(A) CA :: 54.326 CB :: 29.647 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 :: 7.584 HA :: 4.650 HB2 :: 1.887 HB3 :: 1.887 HG2 :: 2.114 HG3 :: 2.114 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 :: 120.916 Ave N Shift Values>> N :: 120.68(3.68) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.54 C 0.45 C Shift Assignments>> CA :: 61.936 CB :: 33.439 CG :: 27.743 CD :: 51.444 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 :: 4.622 HB2 :: 2.225 HB3 :: 2.225 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.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 C 0.26 L 0.1 HN Overlap>> 1.L44 1.L44 C Shift Assignments>> CA :: 54.384 CB :: 46.895 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 :: 8.555 HA :: 4.393 HB2 :: 1.267 HB3 :: 1.039 HG :: 1.780 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 0.885 HD22 :: 0.885 HD23 :: 0.885 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 :: 122.239 Ave N Shift Values>> N :: 121.98(4.07) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.42 C Shift Assignments>> C :: 180.427 CA :: 60.757 CB :: 33.605 CG1 :: 22.827 CG2 :: 21.754 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 :: 8.010 HA :: 4.852 HB :: 1.669 HG11 :: 1.144 HG12 :: 1.144 HG13 :: 1.144 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 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 :: 124.751 Ave N Shift Values>> N :: 121.02(4.96) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.28 C 0.16 A 0.04 R 0.01 C Shift Assignments>> CA :: 52.209 CB :: 43.912 CG :: 27.271 CD1 :: 23.413 CD2 :: 24.043 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 :: 8.847 HA :: 4.278 HB2 :: 1.548 HB3 :: 1.548 HD11 :: 0.991 HD12 :: 0.991 HD13 :: 0.991 HD21 :: 0.733 HD22 :: 0.733 HD23 :: 0.733 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.833 Ave N Shift Values>> N :: 121.98(4.07) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.48 C Shift Assignments>> C :: 177.595 CA :: 56.872 CB :: 34.070 CG :: 25.224 CD :: 28.294 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 :: 8.240 HA :: 4.814 HB2 :: 1.681 HB3 :: 1.681 HG2 :: 1.386 HG3 :: 1.386 HE2 :: 3.208 HE3 :: 3.208 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 :: 122.534 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C18 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 G 0.33 C 0.14 F 0.05 Y 0.02 C Shift Assignments>> CA :: 66.588(A) CB :: 42.274 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.882 HA :: 4.489 HB2 :: 2.277 HB3 :: 2.079 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 :: 127.085 Ave N Shift Values>> N :: 119.95(4.79) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.46 M 0.02 C Shift Assignments>> C :: 174.655 CA :: 58.753 CB :: 30.811 CG :: 24.830 CD :: 29.161 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 :: 8.123 HA :: 4.590 HB2 :: 1.826 HB3 :: 1.826 HG2 :: 1.401 HG3 :: 1.401 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 2.949 HE3 :: 2.949 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 :: 126.461 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G20 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 182.286(S) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.430 HA2 :: 3.851 HA3 :: 3.490 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.992 Ave N Shift Values>> N :: 109.91(4.29) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 C Shift Assignments>> C :: 179.946 CA :: 49.916 CB :: 18.331 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.366 HA :: 4.315 HB1 :: 1.210 HB2 :: 1.210 HB3 :: 1.210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.552 Ave N Shift Values>> N :: 123.23(3.7) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.4 P 0.38 C 0.1 I 0.04 W 0.03 R 0.01 C Shift Assignments>> C :: 179.442 CA :: 63.079 CB :: 32.363 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 :: 4.376 HB2 :: 1.945 HB3 :: 1.945 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.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.47 M 0.03 C Shift Assignments>> C :: 180.160 CA :: 57.732 CB :: 32.906 CG :: 24.830 CD :: 29.161 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 :: 8.279 HA :: 4.081 HB2 :: 1.826 HB3 :: 1.826 HG2 :: 1.395 HG3 :: 1.395 HD2 :: 1.661 HD3 :: 1.661 HE2 :: 2.904 HE3 :: 2.904 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 :: 119.560 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K24 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 M 0.06 C Shift Assignments>> C :: 182.564(A) CA :: 52.926 CB :: 33.682 CG :: 25.066 CD :: 30.027 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 :: 7.281 HA :: 4.285 HB2 :: 1.780 HB3 :: 1.780 HD2 :: 1.674 HD3 :: 1.674 HE2 :: 2.934 HE3 :: 2.934 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 :: 116.784 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.K42 1.K42 H Shift Assignments>> H :: 9.109 HA :: 4.458 HB2 :: 1.719 HB3 :: 1.719 HG2 :: 1.598 HG3 :: 1.598 HD2 :: 3.253 HD3 :: 3.253 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.840 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.L29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.23 A 0.11 C Shift Assignments>> CA :: 54.323 CB :: 45.484 CG :: 22.262(S) CD1 :: 26.301 CD2 :: 25.302 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 :: 7.799 HA :: 4.590 HB2 :: 1.556 HB3 :: 1.556 HG :: 1.997 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.991 HD22 :: 0.991 HD23 :: 0.991 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.383 Ave N Shift Values>> N :: 121.98(4.07) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 C 0.17 R 0.15 W 0.13 K 0.13 E 0.11 M 0.08 L 0.01 C Shift Assignments>> CA :: 54.323 CB :: 29.757 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 :: 7.994 HA :: 4.164 HB2 :: 2.054 HB3 :: 2.054 HG2 :: 2.297 HG3 :: 2.297 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 :: 121.472 Ave N Shift Values>> N :: 120.68(3.68) 1.W31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.42 M 0.04 C Shift Assignments>> C :: 180.676 CA :: 55.066 CB :: 32.291 CG :: 24.830 CD :: 28.924 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 :: 9.738 HA :: 4.543 HB2 :: 1.328 HB3 :: 1.328 HG2 :: 1.006 HD2 :: 1.765 HD3 :: 1.765 HE2 :: 2.889 HE3 :: 2.889 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 :: 120.067 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.22 G 0.14 R 0.04 A 0.03 C Shift Assignments>> CA :: 54.323 CB :: 43.680 CG :: 27.035 CD1 :: 24.436 CD2 :: 23.169 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 :: 9.195 HA :: 5.164 HB2 :: 1.066 HB3 :: 1.066 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 HD21 :: 0.330 HD22 :: 0.330 HD23 :: 0.330 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.803 Ave N Shift Values>> N :: 121.98(4.07) 1.N34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.28 E 0.05 M 0.05 Y 0.05 D 0.03 F 0.02 K 0.01 C Shift Assignments>> C :: 180.213(A) CA :: 52.416 CB :: 36.786 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 :: 8.194 HA :: 4.240 HB2 :: 2.585 HB3 :: 2.585 HD21 :: 6.890 HD22 :: 7.072 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 :: 119.192 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 180.071 CA :: 59.212 CB :: 72.326 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 :: 8.104 HA :: 4.983 HB :: 2.047(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.747 Ave N Shift Values>> N :: 115.7(5.05) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.21 L 0.03 A 0.01 P 0.01 HN Overlap>> 1.G48 1.G48 C Shift Assignments>> C :: 180.215 CA :: 47.260 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.983 HA2 :: 3.933 HA3 :: 3.933 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.825 Ave N Shift Values>> N :: 109.91(4.29) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.38 K 0.18 G 0.04 C Shift Assignments>> C :: 178.788 CA :: 57.505 CB :: 31.898 CG :: 27.077 CD :: 43.097 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 :: 8.076 HA :: 4.093 HB2 :: 1.387 HB3 :: 1.387 HG2 :: 1.737 HG3 :: 1.737 HD2 :: 2.949 HD3 :: 2.949 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 :: 117.907 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.T38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 181.098(S) CA :: 61.725 CB :: 70.314 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 :: 7.463 HA :: 4.426 HB :: 4.224 HG21 :: 1.507 HG22 :: 1.507 HG23 :: 1.507 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.611 Ave N Shift Values>> N :: 115.7(5.05) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 K 0.21 E 0.19 M 0.04 R 0.02 I 0.02 HN Overlap>> 1.Y98 1.Y98 C Shift Assignments>> C :: 180.410 CA :: 57.859 CB :: 29.182 CG :: 34.436 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 :: 8.580 HA :: 4.015 HB2 :: 1.932 HB3 :: 1.932 HG2 :: 2.190 HG3 :: 2.190 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 :: 120.194 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 0.8 M 0.13 C 0.03 L 0.01 C Shift Assignments>> C :: 179.162 CA :: 51.608 CB :: 20.054 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.734 HA :: 3.999 HB1 :: 1.345 HB2 :: 1.345 HB3 :: 1.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.043 Ave N Shift Values>> N :: 123.23(3.7) 1.W41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.16 C 0.14 R 0.13 Q 0.12 K 0.11 I 0.05 M 0.04 V 0.02 C Shift Assignments>> C :: 178.895 CA :: 58.281 CB :: 29.823 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 :: 7.836 HA :: 4.557 HB2 :: 2.984 HB3 :: 2.810 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.285 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.46 M 0.02 HN Overlap>> 1.R28 1.R28 C Shift Assignments>> C :: 180.908 CA :: 54.579 CB :: 34.870 CG :: 24.322 CD :: 28.924 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 :: 9.214 HA :: 4.590 HB2 :: 1.472 HB3 :: 1.472 HG2 :: 1.364 HG3 :: 1.364 HD2 :: 1.902 HD3 :: 1.902 HE2 :: 2.828 HE3 :: 2.828 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.849 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.26 M 0.03 I 0.01 C Shift Assignments>> C :: 179.554 CA :: 62.006 CB :: 32.643 CG1 :: 21.050 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 :: 8.344 HA :: 4.606 HB :: 2.158 HG11 :: 0.839 HG12 :: 0.839 HG13 :: 0.839 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 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 :: 124.313 Ave N Shift Values>> N :: 121.02(4.96) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 K 0.23 C 0.19 R 0.04 G 0.02 HN Overlap>> 1.L14 1.L14 C Shift Assignments>> C :: 178.913 CA :: 54.379 CB :: 42.451 CG :: 26.873 CD1 :: 25.059 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 :: 8.523 HA :: 4.524 HB2 :: 1.423 HB3 :: 1.423 HG :: 1.590 HD11 :: 1.099 HD12 :: 1.099 HD13 :: 1.099 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 122.206 Ave N Shift Values>> N :: 121.98(4.07) 1.S45 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 181.717(A) CA :: 55.886 CB :: 64.530 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.712 HA :: 4.953 HB2 :: 3.872 HB3 :: 3.872 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.360 Ave N Shift Values>> N :: 116.3(3.95) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.1 R 0.01 C Shift Assignments>> C :: 178.695 CA :: 64.638 CB :: 31.898 CG :: 27.665 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 :: 4.311 HB2 :: 2.375 HB3 :: 2.014 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.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.22 E 0.17 M 0.05 R 0.03 I 0.01 C Shift Assignments>> C :: 179.055 CA :: 56.809 CB :: 29.157 CG :: 34.357 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 :: 8.176 HA :: 4.270 HB2 :: 2.034 HB3 :: 2.034 HG2 :: 2.297 HG3 :: 2.297 HE21 :: 7.466 HE22 :: 6.815 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.933 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 HN Overlap>> 1.G36 1.G36 C Shift Assignments>> C :: 181.200(S) CA :: 45.669 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.009 HA2 :: 4.015 HA3 :: 4.015 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.903 Ave N Shift Values>> N :: 109.91(4.29) 1.G49 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 181.183(S) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.061 HA2 :: 4.005 HA3 :: 4.005 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.474 Ave N Shift Values>> N :: 109.91(4.29) 1.G50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 180.911(S) CA :: 45.160 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.001 HA2 :: 3.983 HA3 :: 3.983 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.287 Ave N Shift Values>> N :: 109.91(4.29) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.43 V 0.4 I 0.07 C 0.06 W 0.01 C Shift Assignments>> C :: 177.388 CA :: 64.638 CB :: 31.610 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 :: 4.179 HB2 :: 2.063 HB3 :: 1.369 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.W52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 W 0.14 C 0.14 R 0.13 Q 0.13 E 0.12 I 0.11 L 0.03 M 0.01 C Shift Assignments>> C :: 178.913 CA :: 58.686 CB :: 28.435 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 :: 8.474 HA :: 4.393 HB2 :: 3.409 HB3 :: 3.150 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 :: 118.198 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 F 0.2 Y 0.13 C 0.09 L 0.08 I 0.08 N 0.07 K 0.05 HN Overlap>> 1.S2 1.S2 C Shift Assignments>> C :: 179.216 CB :: 40.589 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 :: 7.734 HA :: 4.328 HB2 :: 2.645 HB3 :: 2.519 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 :: 120.269 Ave N Shift Values>> N :: 120.73(4.2) 1.S54 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 181.590(A) CA :: 59.705 CB :: 63.402 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.758 HA :: 4.179 HB2 :: 3.736 HB3 :: 3.736 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 :: 110.519 Ave N Shift Values>> N :: 116.3(3.95) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 180.908 CA :: 63.429 CB :: 33.605 CG1 :: 21.365 CG2 :: 20.735 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 :: 7.805 HA :: 4.343 HB :: 1.915 HG11 :: 0.854 HG12 :: 0.854 HG13 :: 0.854 HG21 :: 0.854 HG22 :: 0.854 HG23 :: 0.854 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 :: 119.941 Ave N Shift Values>> N :: 121.02(4.96) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.15 C 0.03 L 0.01 C Shift Assignments>> C :: 181.406 CA :: 51.875 CB :: 19.794 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.195 HA :: 4.718 HB1 :: 1.044 HB2 :: 1.044 HB3 :: 1.044 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.796 Ave N Shift Values>> N :: 123.23(3.7) 1.R57 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.33 R 0.16 G 0.06 C Shift Assignments>> C :: 181.780(A) CA :: 54.071 CB :: 34.070 CG :: 28.350 CD :: 42.982 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 :: 8.854 HA :: 4.606 HB2 :: 1.751 HB3 :: 1.751 HG2 :: 1.358 HG3 :: 1.358 HD2 :: 3.091 HD3 :: 3.091 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 :: 118.535 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.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.21 M 0.01 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> C :: 178.859 CA :: 62.727 CB :: 31.898 CG1 :: 21.752 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 :: 8.594 HA :: 4.229 HB :: 1.833 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 0.964 HG22 :: 0.964 HG23 :: 0.964 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 :: 123.786 Ave N Shift Values>> N :: 121.02(4.96) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.46 A 0.05 C Shift Assignments>> C :: 178.895 CA :: 54.012 CB :: 38.995 CG :: 26.038 CD1 :: 24.279 CD2 :: 23.334 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 :: 9.275 HA :: 4.255 HB2 :: 1.731 HB3 :: 1.731 HG :: 1.506 HD11 :: 1.037 HD12 :: 1.037 HD13 :: 1.037 HD21 :: 0.961 HD22 :: 0.961 HD23 :: 0.961 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 :: 129.460 Ave N Shift Values>> N :: 121.98(4.07) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.3 S 0.2 T 0.19 I 0.14 P 0.12 C 0.01 C Shift Assignments>> C :: 179.442 CA :: 65.933 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 :: 4.270 HB2 :: 2.299 HB3 :: 1.843 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.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.22 D 0.07 Y 0.05 F 0.03 E 0.02 M 0.02 C Shift Assignments>> C :: 179.570 CA :: 52.242 CB :: 37.532 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 :: 7.248 HA :: 4.461 HB2 :: 3.146 HB3 :: 2.661 HD21 :: 6.496 HD22 :: 7.360 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 :: 109.938 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G62 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 182.796(A) CA :: 45.530 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.504 HA2 :: 4.103 HA3 :: 4.103 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.629 Ave N Shift Values>> N :: 109.91(4.29) 1.S63 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 184.665(A) CA :: 59.488 CB :: 63.484 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.691 HA :: 4.754 HB2 :: 3.611 HB3 :: 3.611 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.130 Ave N Shift Values>> N :: 116.3(3.95) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.23 A 0.02 HN Overlap>> 1.V58 1.V58 C Shift Assignments>> CA :: 53.611 CB :: 41.752 CG :: 25.611 CD1 :: 24.357 CD2 :: 23.806 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 :: 8.676 HA :: 4.149 HB2 :: 1.947 HB3 :: 1.947 HG :: 1.441 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 1.006 HD22 :: 1.006 HD23 :: 1.006 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.759 Ave N Shift Values>> N :: 121.98(4.07) 1.F65 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.21 K 0.15 R 0.11 C 0.1 F 0.06 Y 0.04 N 0.04 HN Overlap>> 1.I6 1.I6 C Shift Assignments>> C :: 182.528(A) CA :: 54.231 CB :: 42.136 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 :: 8.960 HA :: 5.262 HB2 :: 2.801 HB3 :: 2.612 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 :: 126.342 Ave N Shift Values>> N :: 120.69(4.18) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.42 A 0.04 C Shift Assignments>> CA :: 52.175 CB :: 38.464 CG :: 26.001 CD1 :: 24.672 CD2 :: 23.964 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 :: 8.755 HA :: 4.437 HB2 :: 1.524 HB3 :: 1.524 HG :: 1.354 HD11 :: 1.021 HD12 :: 1.021 HD13 :: 1.021 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 130.155 Ave N Shift Values>> N :: 121.98(4.07) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.43 V 0.38 C 0.07 I 0.06 W 0.02 C Shift Assignments>> C :: 179.136 CA :: 63.830 CB :: 31.922 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.338 HB2 :: 1.932 HB3 :: 1.424 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.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.15 C 0.02 C Shift Assignments>> C :: 180.587 CA :: 51.855 CB :: 19.171 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.440 HA :: 3.517 HB1 :: 0.898 HB2 :: 0.898 HB3 :: 0.898 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.300 Ave N Shift Values>> N :: 123.23(3.7) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 179.501 CA :: 64.178 CB :: 32.208 CG1 :: 21.431 CG2 :: 20.893 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 :: 7.993 HA :: 3.593 HB :: 1.901 HG11 :: 1.166 HG12 :: 1.166 HG13 :: 1.166 HG21 :: 1.249 HG22 :: 1.249 HG23 :: 1.249 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 :: 125.447 Ave N Shift Values>> N :: 121.02(4.96) 1.G70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious 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 :: 181.353(S) CA :: 43.282 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.822 HA2 :: 3.997 HA3 :: 3.997 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.929 Ave N Shift Values>> N :: 109.91(4.29) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 177.839 CA :: 64.256 CB :: 38.493 CG1 :: 27.507 CG2 :: 17.350 CD1 :: 14.128 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 :: 8.566 HA :: 3.696 HB :: 1.681 HG12 :: 1.401 HG13 :: 0.333 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 :: 118.740 Ave N Shift Values>> N :: 121.6(4.72) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.14 R 0.05 I 0.02 M 0.02 C Shift Assignments>> C :: 180.690 CA :: 57.604 CB :: 28.438 CG :: 34.279 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 :: 8.640 HA :: 4.174 HB2 :: 2.188 HB3 :: 2.188 HG2 :: 2.327 HG3 :: 2.327 HE21 :: 7.466 HE22 :: 7.027 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.978 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D73 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 K 0.2 D 0.15 C 0.11 F 0.11 R 0.08 Y 0.08 N 0.02 C Shift Assignments>> C :: 182.643(A) CA :: 55.949 CB :: 41.675 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 :: 7.746 HA :: 4.573 HB2 :: 2.728 HB3 :: 2.588 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 :: 116.362 Ave N Shift Values>> N :: 120.73(4.2) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.1 I 0.08 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.212 CA :: 57.651 CB :: 30.734 CG :: 36.641 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.614 HA :: 3.975 HB2 :: 2.063 HB3 :: 1.872 HG2 :: 2.464 HG3 :: 2.464 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 113.012 Ave N Shift Values>> N :: 120.68(3.68) 1.G75 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 184.569(A) CA :: 45.160 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.166 HA2 :: 4.524 HA3 :: 3.720 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.613 Ave N Shift Values>> N :: 109.91(4.29) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.42 A 0.02 C Shift Assignments>> C :: 181.513 CA :: 58.514 CB :: 40.511 CG1 :: 25.400 CG2 :: 19.318 CD1 :: 13.064 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 :: 7.829 HA :: 5.244 HB :: 1.553 HG12 :: 0.978 HG13 :: 0.978 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 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 :: 120.633 Ave N Shift Values>> N :: 121.6(4.72) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.24 C 0.12 K 0.09 F 0.07 D 0.05 Y 0.04 G 0.04 C Shift Assignments>> CA :: 56.750 CB :: 43.304 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.053 HA :: 4.802 HB2 :: 2.904 HB3 :: 2.904 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 :: 124.180 Ave N Shift Values>> N :: 120.69(4.18) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.32 R 0.3 G 0.01 C Shift Assignments>> CA :: 55.838 CB :: 31.898 CG :: 28.767 CD :: 42.524 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.882 HA :: 4.836 HB2 :: 1.768 HB3 :: 1.768 HG2 :: 1.355 HG3 :: 1.355 HD2 :: 2.965 HD3 :: 2.965 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.423 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.C79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 I 0.22 F 0.18 G 0.11 Y 0.09 R 0.09 K 0.03 L 0.01 C Shift Assignments>> C :: 179.287 CA :: 62.728 CB :: 42.731 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.875 HA :: 4.877 HB2 :: 2.812 HB3 :: 2.812 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.601 Ave N Shift Values>> N :: 119.95(4.79) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 C 0.22 K 0.22 R 0.09 W 0.08 E 0.05 Q 0.03 V 0.01 C Shift Assignments>> CA :: 55.548 CB :: 32.984 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 :: 8.665 HA :: 4.294 HB2 :: 1.899 HB3 :: 1.899 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 :: 128.089 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.15 C 0.03 L 0.01 C Shift Assignments>> C :: 178.681 CA :: 51.875 CB :: 19.787 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.369 HA :: 4.934 HB1 :: 1.056 HB2 :: 1.056 HB3 :: 1.056 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.820 Ave N Shift Values>> N :: 123.23(3.7) 1.M82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.32 Q 0.15 E 0.07 K 0.03 C Shift Assignments>> C :: 179.112 CA :: 54.228 CB :: 33.915 CG :: 32.104 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 :: 8.043 HA :: 4.786 HB2 :: 1.798 HB3 :: 1.798 HG2 :: 2.957 HG3 :: 2.957 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 :: 119.807 Ave N Shift Values>> N :: 120.1(3.88) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.17 C 0.15 Y 0.04 F 0.03 L 0.02 C Shift Assignments>> C :: 178.521 CA :: 51.530 CB :: 38.881 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 :: 8.399 HA :: 4.741 HB2 :: 2.858 HB3 :: 2.858 HD21 :: 6.951 HD22 :: 7.572 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 :: 122.813 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N85 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.19 C 0.15 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 180.376(A) CA :: 53.021 CB :: 38.881 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 :: 7.935 HA :: 4.652 HB2 :: 2.857 HB3 :: 2.607 HD21 :: 6.754 HD22 :: 7.360 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.594 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 182.286(S) CA :: 45.597 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.950 HA2 :: 3.617 HA3 :: 3.617 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.672 Ave N Shift Values>> N :: 109.91(4.29) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.28 M 0.1 R 0.01 C Shift Assignments>> C :: 179.536 CA :: 55.863 CB :: 33.527 CG :: 24.453 CD :: 30.070 CE :: 39.919 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 :: 7.664 HA :: 4.294 HB2 :: 1.555 HB3 :: 1.555 HG2 :: 1.325 HG3 :: 1.325 HD2 :: 1.629 HD3 :: 1.629 HE2 :: 2.889 HE3 :: 2.889 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 :: 119.544 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.17 K 0.16 R 0.14 W 0.11 E 0.09 Q 0.07 V 0.01 C Shift Assignments>> C :: 179.305 CA :: 56.019 CB :: 31.898 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 :: 8.632 HA :: 4.672 HB2 :: 1.686 HB3 :: 1.686 HG2 :: 2.008 HG3 :: 2.008 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 :: 125.549 Ave N Shift Values>> N :: 120.68(3.68) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 179.661 CA :: 61.169 CB :: 69.228 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 :: 9.372 HA :: 4.437 HB :: 4.159 HG21 :: 1.234 HG22 :: 1.234 HG23 :: 1.234 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 :: 121.868 Ave N Shift Values>> N :: 115.7(5.05) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.33 R 0.22 M 0.02 C Shift Assignments>> CA :: 55.459 CB :: 32.625 CG :: 24.672 CD :: 28.531 CE :: 42.074 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 :: 8.681 HA :: 4.754 HB2 :: 1.801 HB3 :: 1.801 HG2 :: 1.325 HG3 :: 1.325 HD2 :: 1.872 HD3 :: 1.598 HE2 :: 2.889 HE3 :: 2.889 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.963 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S91 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 181.567(A) CA :: 57.117 CB :: 64.210 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.518 HA :: 4.655 HB2 :: 3.753 HB3 :: 3.753 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 :: 120.382 Ave N Shift Values>> N :: 116.3(3.95) 1.N92 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.22 R 0.14 C 0.11 K 0.09 N 0.04 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 182.065(A) CA :: 53.180 CB :: 42.611 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 :: 8.579 HA :: 5.361 HB2 :: 2.489 HB3 :: 2.489 HD21 :: 6.936 HD22 :: 7.406 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 :: 122.689 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y93 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.1 E 0.1 R 0.1 K 0.09 W 0.09 Q 0.08 Y 0.08 F 0.07 M 0.07 S 0.05 L 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 181.157(A) CA :: 57.222 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 :: 9.583 HA :: 5.410 HB2 :: 3.080 HB3 :: 3.080 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.028 Ave N Shift Values>> N :: 120.79(4.69) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.33 K 0.14 G 0.07 C Shift Assignments>> C :: 180.712 CA :: 55.114 CB :: 31.354 CG :: 27.415 CD :: 43.338 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 :: 8.892 HA :: 5.098 HB2 :: 1.965 HB3 :: 1.522 HG2 :: 1.401 HG3 :: 1.710 HD2 :: 3.101 HD3 :: 3.101 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.484 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.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.25 M 0.02 I 0.01 C Shift Assignments>> C :: 179.910 CA :: 62.493 CB :: 33.993 CG1 :: 20.980 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 :: 9.226 HA :: 4.639 HB :: 2.112 HG11 :: 0.458 HG12 :: 0.458 HG13 :: 0.458 HG21 :: 0.458 HG22 :: 0.458 HG23 :: 0.458 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.773 Ave N Shift Values>> N :: 121.02(4.96) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.34 R 0.26 G 0.01 C Shift Assignments>> C :: 181.086 CA :: 54.279 CB :: 32.906 CG :: 27.139 CD :: 42.117 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 :: 8.792 HA :: 4.655 HB2 :: 1.686 HB3 :: 1.686 HG2 :: 1.431 HG3 :: 1.431 HD2 :: 2.964 HD3 :: 2.964 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 :: 128.436 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.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 179.629 CA :: 60.846 CB :: 32.972 CG1 :: 20.871 CG2 :: 20.302 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 :: 9.372 HA :: 4.754 HB :: 1.784 HG11 :: 0.839 HG12 :: 0.839 HG13 :: 0.839 HG21 :: 1.143 HG22 :: 1.143 HG23 :: 1.143 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 :: 122.021 Ave N Shift Values>> N :: 121.02(4.96) 1.Y98 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.1 E 0.1 W 0.09 R 0.09 K 0.09 Y 0.08 Q 0.08 F 0.08 M 0.06 S 0.06 L 0.04 D 0.01 I 0.01 V 0.01 HN Overlap>> 1.E39 1.E39 C Shift Assignments>> C :: 181.555(A) CA :: 57.342 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 :: 8.515 HA :: 4.458 HB2 :: 3.572 HB3 :: 3.572 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 :: 120.266 Ave N Shift Values>> N :: 120.79(4.69) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 R 0.14 W 0.14 K 0.14 E 0.14 C 0.14 M 0.06 I 0.01 L 0.01 C Shift Assignments>> C :: 180.138 CA :: 55.758 CB :: 29.647 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 :: 8.522 HA :: 4.261 HB2 :: 2.063 HB3 :: 1.768 HG2 :: 2.312 HG3 :: 2.312 HE21 :: 7.315 HE22 :: 6.845 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 :: 122.414 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 181.174 CA :: 59.259 CB :: 38.416 CG1 :: 27.295 CG2 :: 17.534 CD1 :: 13.040 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 :: 8.169 HA :: 4.270 HB :: 1.720 HG12 :: 1.386 HG13 :: 0.832 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.711 Ave N Shift Values>> N :: 121.6(4.72) 1.P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.41 V 0.4 C 0.08 I 0.04 W 0.02 C Shift Assignments>> C :: 178.339 CA :: 63.620 CB :: 32.282 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 :: 4.240 HB2 :: 2.151 HB3 :: 1.798 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.G102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 182.083(S) CA :: 45.033 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.370 HA2 :: 3.786 HA3 :: 3.786 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.441 Ave N Shift Values>> N :: 109.91(4.29) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.22 K 0.18 Q 0.15 R 0.07 W 0.06 E 0.03 C Shift Assignments>> C :: 180.854 CA :: 54.326 CB :: 32.984 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 :: 7.948 HA :: 4.468 HB2 :: 1.598 HB3 :: 1.598 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 :: 122.292 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.43 V 0.37 C 0.07 I 0.06 W 0.02 C Shift Assignments>> C :: 179.595 CA :: 63.629 CB :: 31.898 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 :: 2.129 HB3 :: 1.833 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.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 R 0.14 E 0.13 K 0.11 M 0.11 Q 0.06 V 0.06 I 0.02 C Shift Assignments>> C :: 174.460 CA :: 58.319 CB :: 31.459 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 :: 7.937 HA :: 3.967 HB2 :: 1.762 HB3 :: 1.762 HG2 :: 2.190 HG3 :: 2.190 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 :: 126.247 Ave N Shift Values>> N :: 120.68(3.68) 2.D1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.658 HA :: 4.124 HB2 :: 1.759 HB3 :: 1.695 HG2 :: 1.960 HG3 :: 2.025 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) 2.F3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.243 HA :: 4.451 HB2 :: 2.968 HB3 :: 2.896 HD1 :: 7.201 HD2 :: 7.189 HE1 :: 7.117 HE2 :: 7.099 HZ :: 7.151 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) 2.CEL4 Overall Status: Residue type CEL not supported. 2.A5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.204 HA :: 4.098 HB1 :: 1.237 HB2 :: 1.237 HB3 :: 1.237 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 2.D6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.256 HA :: 4.435 HB2 :: 2.619 HB3 :: 2.576 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 2.E7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.714 HA :: 4.039 HB2 :: 1.930 HB3 :: 1.758 HG2 :: 2.154 HG3 :: 2.185 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) 3.MCL1 Overall Status: Residue type MCL not supported. ########################################################################### Overall Results: #Consistent: 79 #Clerical: 0 #Suspicious: 12 #Anomalous: 19 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 96 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 14 Shift Relative Order (SRO) Results: #Consistent: 111 #Suspicious: 0 C Shift Results: #Consistent: 314 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 20 H Shift Results: #Consistent: 642 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 92 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G1 C = 182.218(S), Expected = 174.04, Std = 1.9400, ChiSquare = 2.4927e-05 1.S2 Typing: Mistyped 1.S2 CB = 73.640(A), Expected = 63.80, Std = 1.5700, ChiSquare = 3.6685e-10 1.N5 C = 180.338(A), Expected = 175.16, Std = 1.7600, ChiSquare = 3.2605e-03 1.T7 C = 182.475(A), Expected = 174.60, Std = 1.8000, ChiSquare = 1.2143e-05 1.G11 C = 182.099(S), Expected = 174.04, Std = 1.9400, ChiSquare = 3.2654e-05 1.E12 C = 182.012(A), Expected = 176.93, Std = 2.1100, ChiSquare = 1.6017e-02 1.C18 CA = 66.588(A), Expected = 57.43, Std = 3.4100, ChiSquare = 7.2393e-03 1.G20 C = 182.286(S), Expected = 174.04, Std = 1.9400, ChiSquare = 2.1328e-05 1.K24 C = 182.564(A), Expected = 176.46, Std = 2.0500, ChiSquare = 2.9055e-03 1.L29 CG = 22.262(S), Expected = 26.77, Std = 1.2500, ChiSquare = 3.1047e-04 1.N34 C = 180.213(A), Expected = 175.16, Std = 1.7600, ChiSquare = 4.0915e-03 1.T35 HB = 2.047(S), Expected = 4.17, Std = 0.3700, ChiSquare = 9.5893e-09 1.T38 C = 181.098(S), Expected = 174.60, Std = 1.8000, ChiSquare = 3.0620e-04 1.S45 C = 181.717(A), Expected = 174.53, Std = 1.7300, ChiSquare = 3.2623e-05 1.G48 C = 181.200(S), Expected = 174.04, Std = 1.9400, ChiSquare = 2.2362e-04 1.G49 C = 181.183(S), Expected = 174.04, Std = 1.9400, ChiSquare = 2.3145e-04 1.G50 C = 180.911(S), Expected = 174.04, Std = 1.9400, ChiSquare = 3.9748e-04 1.S54 C = 181.590(A), Expected = 174.53, Std = 1.7300, ChiSquare = 4.4857e-05 1.R57 C = 181.780(A), Expected = 176.49, Std = 2.1600, ChiSquare = 1.4322e-02 1.G62 C = 182.796(A), Expected = 174.04, Std = 1.9400, ChiSquare = 6.3796e-06 1.S63 C = 184.665(A), Expected = 174.53, Std = 1.7300, ChiSquare = 4.6740e-09 1.F65 C = 182.528(A), Expected = 175.49, Std = 2.1300, ChiSquare = 9.5239e-04 1.G70 C = 181.353(S), Expected = 174.04, Std = 1.9400, ChiSquare = 1.6352e-04 1.D73 C = 182.643(A), Expected = 176.41, Std = 1.7700, ChiSquare = 4.2916e-04 1.G75 C = 184.569(A), Expected = 174.04, Std = 1.9400, ChiSquare = 5.7207e-08 1.N85 C = 180.376(A), Expected = 175.16, Std = 1.7600, ChiSquare = 3.0403e-03 1.G86 C = 182.286(S), Expected = 174.04, Std = 1.9400, ChiSquare = 2.1328e-05 1.S91 C = 181.567(A), Expected = 174.53, Std = 1.7300, ChiSquare = 4.7494e-05 1.N92 C = 182.065(A), Expected = 175.16, Std = 1.7600, ChiSquare = 8.7346e-05 1.Y93 C = 181.157(A), Expected = 175.39, Std = 1.8900, ChiSquare = 2.2784e-03 1.Y98 C = 181.555(A), Expected = 175.39, Std = 1.8900, ChiSquare = 1.1067e-03 1.G102 C = 182.083(S), Expected = 174.04, Std = 1.9400, ChiSquare = 3.3852e-05