Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 168.928(S) CA :: 57.390 CB :: 63.065 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.183 HB2 :: 4.017 HB3 :: 3.957 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.33 M 0.2 K 0.08 HN Overlap>> 1.C22 1.C22 C Shift Assignments>> C :: 173.747 CA :: 56.086 CB :: 30.592 CG :: 35.515 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.802 HA :: 4.501 HB2 :: 2.128 HB3 :: 2.019 HG2 :: 2.362 HG3 :: 2.362 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.648 Ave N Shift Values>> N :: 120.67(3.48) 1.C3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.28 K 0.17 F 0.08 R 0.06 N 0.05 C 0.05 C Shift Assignments>> C :: 171.833 CA :: 54.337 CB :: 41.809 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.252 HA :: 4.568 HB2 :: 2.821 HB3 :: 3.073 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.267 Ave N Shift Values>> N :: 120.17(4.64) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> CA :: 46.766 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.642 HA2 :: 3.886 HA3 :: 3.886 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.188 Ave N Shift Values>> N :: 109.67(3.87) 1.K5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.51 C 0.3 R 0.17 G 0.01 C Shift Assignments>> C :: 172.710 CA :: 54.483 CB :: 32.688 CG :: 25.423 CD :: 29.281 CE :: 42.216 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 5.250(S) HA :: 3.978 HB2 :: 0.506(S) HB3 :: 1.740 HG2 :: 0.936 HG3 :: 0.786 HD2 :: 1.410 HD3 :: 1.352 HE2 :: 2.860 HE3 :: 2.799 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.281 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 174.609 CA :: 59.363 CB :: 38.968 CD1 :: 131.744 CE1 :: 131.545 CZ :: 130.000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.141 HA :: 4.077 HB2 :: 3.104 HB3 :: 2.771 HD1 :: 7.281 HD2 :: 7.281 HE1 :: 7.470 HE2 :: 7.470 HZ :: 7.326 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.437 Ave N Shift Values>> N :: 120.45(4.18) 1.M7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.75 M 0.24 C Shift Assignments>> C :: 174.035 CA :: 58.125 CB :: 29.062 CG :: 31.668 CE :: 15.688 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.152 HA :: 2.968 HB2 :: 1.630 HB3 :: 1.450 HG2 :: 0.288(S) HG3 :: 0.654(S) HE1 :: 1.131 HE2 :: 1.131 HE3 :: 1.131 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.789 Ave N Shift Values>> N :: 120.09(3.57) 1.W8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 174.497 CA :: 57.397 CB :: 28.697 CD1 :: 126.332 CE3 :: 121.196 CZ2 :: 114.752 CZ3 :: 122.740 CH2 :: 125.285 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.796 HA :: 4.626 HB2 :: 3.309 HB3 :: 3.410 HD1 :: 7.098 HE1 :: 10.343 HE3 :: 7.854 HZ2 :: 7.549 HZ3 :: 7.170 HH2 :: 7.296 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.588 NE1 :: 130.578 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.14 C Shift Assignments>> C :: 173.588 CA :: 57.251 CB :: 32.559 CG :: 24.739 CD :: 28.893 CE :: 42.073 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.289 HA :: 4.639 HB2 :: 1.847 HB3 :: 1.918 HG2 :: 1.657 HG3 :: 1.605 HD2 :: 1.801 HD3 :: 1.801 HE2 :: 3.097 HE3 :: 3.097 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.982 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.1 C 0.1 HN Overlap>> 1.S33 1.S33 C Shift Assignments>> C :: 170.732 CA :: 53.609 CB :: 47.345 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.131 HA :: 5.000 HB2 :: 3.274 HB3 :: 3.274 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.637 Ave N Shift Values>> N :: 120.17(4.64) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.44 R 0.08 C Shift Assignments>> C :: 174.737 CA :: 57.470 CB :: 34.015 CG :: 24.994 CD :: 29.071 CE :: 41.886 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.543 HA :: 4.429 HB2 :: 1.860 HB3 :: 1.860 HG2 :: 1.489 HG3 :: 1.417 HD2 :: 1.715 HD3 :: 1.715 HE2 :: 3.003 HE3 :: 3.003 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.567 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.27 L 0.17 C 0.05 F 0.05 K 0.03 C Shift Assignments>> C :: 174.896 CA :: 52.079 CB :: 40.935 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.125 HA :: 4.723 HB2 :: 3.004 HB3 :: 2.962 HD21 :: 7.715 HD22 :: 6.959 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.051 ND2 :: 114.531 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.269 CA :: 63.151 CB :: 62.968 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.317 HA :: 4.116 HB2 :: 4.170 HB3 :: 4.052 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.741 Ave N Shift Values>> N :: 116.28(3.52) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.24 E 0.16 F 0.13 M 0.06 D 0.05 L 0.01 K 0.01 C Shift Assignments>> C :: 174.242 CA :: 55.139 CB :: 37.439 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.579 HA :: 4.648 HB2 :: 2.922 HB3 :: 2.876 HD21 :: 7.588 HD22 :: 6.949 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.511 ND2 :: 112.906 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.19 R 0.19 D 0.15 F 0.09 C 0.05 N 0.01 C Shift Assignments>> C :: 175.614 CA :: 55.721 CB :: 42.465 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.797 HA :: 4.687 HB2 :: 3.131 HB3 :: 3.037 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.823 Ave N Shift Values>> N :: 120.65(3.86) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.14 N 0.07 F 0.06 R 0.05 C 0.04 C Shift Assignments>> C :: 172.327 CA :: 53.682 CB :: 41.809 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.816 HA :: 5.083 HB2 :: 2.791 HB3 :: 3.205 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.609 Ave N Shift Values>> N :: 120.17(4.64) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.23 L 0.16 F 0.14 C 0.08 K 0.02 C Shift Assignments>> C :: 170.811 CA :: 54.483 CB :: 40.134 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.560 HA :: 4.511 HB2 :: 3.339 HB3 :: 2.497 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.994 Ave N Shift Values>> N :: 120.17(4.64) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.1 C Shift Assignments>> C :: 174.322 CA :: 58.562 CB :: 32.631 CG :: 24.393 CD :: 29.185 CE :: 42.251 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.004 HA :: 4.052 HB2 :: 1.805 HB3 :: 1.690 HG2 :: 1.431 HG3 :: 1.431 HD2 :: 1.710 HD3 :: 1.649 HE2 :: 3.003 HE3 :: 3.003 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.089 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 C 0.26 D 0.11 N 0.11 L 0.06 E 0.04 M 0.01 C Shift Assignments>> C :: 172.790 CA :: 56.741 CB :: 38.677 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.715 HA :: 4.295 HB2 :: 3.143 HB3 :: 2.882 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.375 Ave N Shift Values>> N :: 120.65(3.86) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 C 0.34 R 0.2 L 0.03 HN Overlap>> 1.L31 1.L31 C Shift Assignments>> C :: 173.971 CA :: 54.920 CB :: 44.577 CG :: 25.105 CD1 :: 28.257 CD2 :: 26.867 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.286 HA :: 5.229 HB2 :: 2.052 HB3 :: 1.506 HG :: 0.788 HD11 :: 1.508 HD12 :: 1.508 HD13 :: 1.508 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.437 Ave N Shift Values>> N :: 121.86(3.9) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.13 A 0.01 C Shift Assignments>> C :: 172.790 CA :: 58.999 CB :: 35.836 CG1 :: 21.968 CG2 :: 18.790 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.324 HA :: 4.579 HB :: 2.049 HG11 :: 0.888 HG12 :: 0.888 HG13 :: 0.888 HG21 :: 0.720 HG22 :: 0.720 HG23 :: 0.720 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 112.441 Ave N Shift Values>> N :: 121.14(4.54) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.26 F 0.15 L 0.14 C 0.1 HN Overlap>> 1.E2 1.E2 C Shift Assignments>> C :: 173.348 CA :: 54.629 CB :: 39.843 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.806 HA :: 4.806 HB2 :: 2.495 HB3 :: 2.703 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.656 Ave N Shift Values>> N :: 120.17(4.64) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.215 CA :: 58.271 CB :: 63.442 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.391 HA :: 4.397 HB2 :: 3.914 HB3 :: 4.389 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 124.577 Ave N Shift Values>> N :: 116.28(3.52) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.950 CA :: 60.747 CB :: 62.430 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.050 HA :: 4.129 HB2 :: 3.880 HB3 :: 3.854 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 126.697 Ave N Shift Values>> N :: 116.28(3.52) 1.R25 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> C 0.4 R 0.32 K 0.24 G 0.01 C Shift Assignments>> C :: 175.662 CA :: 57.542 CB :: 30.592 CG :: 25.799 CD :: 42.594 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.499 HA :: 3.867 HB2 :: 1.249 HB3 :: 0.692(S) HG2 :: 0.209(S) HG3 :: 0.447(S) HD2 :: 2.546 HD3 :: 2.333 HE :: 6.567 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.375 NE :: 110.875(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.W26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.59 C 0.4 C Shift Assignments>> C :: 173.077 CA :: 56.158 CB :: 28.553 CD1 :: 126.954 CE3 :: 121.339 CZ2 :: 114.425 CZ3 :: 121.556 CH2 :: 124.664 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.098 HA :: 4.168 HB2 :: 1.311(S) HB3 :: 1.019(S) HD1 :: 6.885 HE1 :: 10.045 HE3 :: 7.223 HZ2 :: 7.413 HZ3 :: 7.099 HH2 :: 7.203 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 115.667 NE1 :: 127.531 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.34 L 0.25 K 0.02 G 0.01 C Shift Assignments>> C :: 173.971 CA :: 56.287 CB :: 27.169 CG :: 24.347 CD :: 28.318 CE :: 42.492 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.001 HA :: 3.881 HB2 :: 2.225 HB3 :: 2.065 HG2 :: 1.195 HG3 :: 1.316 HD2 :: 1.646 HD3 :: 1.604 HE2 :: 3.011 HE3 :: 2.940 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 112.484 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.6 C 0.39 C Shift Assignments>> C :: 175.710 CA :: 55.284 CB :: 30.519 CD1 :: 124.962 CE3 :: 120.692 CZ2 :: 114.163 CZ3 :: 121.393 CH2 :: 124.194 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.947 HA :: 5.581 HB2 :: 2.608 HB3 :: 3.130 HD1 :: 6.870 HE1 :: 9.895 HE3 :: 7.386 HZ2 :: 6.565 HZ3 :: 7.037 HH2 :: 6.726 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 110.998 NE1 :: 128.953 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.23 F 0.18 D 0.17 C 0.08 R 0.05 N 0.01 C Shift Assignments>> C :: 173.157 CA :: 56.596 CB :: 41.518 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.113 HA :: 5.254 HB2 :: 3.471 HB3 :: 2.805 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.176 Ave N Shift Values>> N :: 120.17(4.64) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 V 0.08 C Shift Assignments>> C :: 173.269 CA :: 59.800 CB :: 35.909 CG1 :: 23.286 CG2 :: 18.710 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.923 HA :: 5.139 HB :: 2.698 HG11 :: 1.394 HG12 :: 1.394 HG13 :: 1.394 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.187 Ave N Shift Values>> N :: 121.14(4.54) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.4 R 0.04 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 176.285 CA :: 56.668 CB :: 41.882 CG :: 27.661 CD1 :: 23.348 CD2 :: 24.960 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.331 HA :: 4.406 HB2 :: 1.664 HB3 :: 1.607 HG :: 1.669 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.844 HD22 :: 0.844 HD23 :: 0.844 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.354 Ave N Shift Values>> N :: 121.86(3.9) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 C Shift Assignments>> C :: 175.758 CA :: 52.881 CB :: 19.229 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.366 HA :: 4.201 HB1 :: 1.298 HB2 :: 1.298 HB3 :: 1.298 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.391 Ave N Shift Values>> N :: 123.23(3.54) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.C10 1.C10 C Shift Assignments>> CA :: 56.062 CB :: 63.765 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.188 HA :: 4.763 HB2 :: 3.818 HB3 :: 3.778 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.562 Ave N Shift Values>> N :: 116.28(3.52) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 173.907 CA :: 63.667 CB :: 31.736 CG :: 26.837 CD :: 50.640 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.387 HB2 :: 2.156 HB3 :: 1.817 HG2 :: 1.932 HG3 :: 1.741 HD2 :: 3.697 HD3 :: 3.624 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 C Shift Assignments>> CA :: 58.718 CB :: 40.125 CD2 :: 132.344 CE2 :: 131.562 CZ :: 129.219 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.482 HA :: 4.451 HB2 :: 3.166 HB3 :: 2.969 HD1 :: 7.237 HD2 :: 7.237 HE1 :: 7.349 HE2 :: 7.349 HZ :: 7.290 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.230 Ave N Shift Values>> N :: 120.45(4.18) ########################################################################### Overall Results: #Consistent: 30 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 35 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 35 #Suspicious: 0 C Shift Results: #Consistent: 153 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 231 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 38 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.S1 C = 168.928(S), Expected = 174.62, Std = 1.7200, ChiSquare = 9.3529e-04 1.K5 H = 5.250(S), Expected = 8.19, Std = 0.6000, ChiSquare = 9.5837e-07 1.K5 HB2 = 0.506(S), Expected = 1.78, Std = 0.2500, ChiSquare = 3.4691e-07 1.M7 HG2 = 0.288(S), Expected = 2.42, Std = 0.3500, ChiSquare = 1.1191e-09 1.M7 HG3 = 0.654(S), Expected = 2.39, Std = 0.3800, ChiSquare = 4.9141e-06 1.R25 HB3 = 0.692(S), Expected = 1.76, Std = 0.2800, ChiSquare = 1.3658e-04 1.R25 HG2 = 0.209(S), Expected = 1.57, Std = 0.2700, ChiSquare = 4.6373e-07 1.R25 HG3 = 0.447(S), Expected = 1.54, Std = 0.2900, ChiSquare = 1.6393e-04 1.R25 NE = 110.875(A), Expected = 84.63, Std = 1.6800, ChiSquare = 5.1543e-55 1.W26 HB2 = 1.311(S), Expected = 3.19, Std = 0.3500, ChiSquare = 7.9363e-08 1.W26 HB3 = 1.019(S), Expected = 3.12, Std = 0.3600, ChiSquare = 5.3433e-09