Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.V1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.39 P 0.3 C 0.19 W 0.03 K 0.01 R 0.01 C Shift Assignments>> C :: 176.360 CA :: 62.381 CB :: 32.344 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) 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.988 CA :: 61.844 CB :: 69.833 CG2 :: 21.691 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.263 HA :: 4.262 HB :: 4.085 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.195 Ave N Shift Values>> N :: 115.42(4.75) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.38 R 0.08 C Shift Assignments>> C :: 176.114 CA :: 55.745 CB :: 32.978 CG :: 24.280 CD :: 28.943 CE :: 41.735 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 :: 8.424 HA :: 4.319 HB2 :: 1.688 HB3 :: 1.688 HG2 :: 1.378 HG3 :: 1.378 HD2 :: 1.630 HD3 :: 1.630 HE2 :: 2.956 HE3 :: 2.956 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 :: 123.729 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.36 K 0.24 G 0.01 C Shift Assignments>> C :: 175.988 CA :: 56.749 CB :: 34.722 CG :: 26.399 CD :: 29.864 CE :: 42.353 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 :: 8.434 HA :: 4.137 HB2 :: 1.450 HB3 :: 1.368 HG2 :: 1.323 HG3 :: 0.949 HE2 :: 2.907 HE3 :: 2.743 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 :: 121.835 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 177.550 CA :: 51.440 CB :: 19.228 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.761 HA :: 4.513 HB1 :: 1.562 HB2 :: 1.562 HB3 :: 1.562 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.307 Ave N Shift Values>> N :: 123.23(3.54) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.986 CA :: 56.927 CB :: 64.879 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.086 HA :: 4.415 HB2 :: 4.322 HB3 :: 4.067 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 :: 115.172 Ave N Shift Values>> N :: 116.28(3.52) 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 H 0.32 W 0.25 C Shift Assignments>> C :: 177.611 CA :: 58.724 CB :: 28.221 CD2 :: 117.520 CE1 :: 136.800 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.644 HA :: 4.237 HB2 :: 3.390 HB3 :: 3.318 HD2 :: 6.695 HE1 :: 8.243 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.257 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.45 R 0.05 C Shift Assignments>> C :: 179.612 CA :: 59.353 CB :: 32.348 CG :: 24.309 CD :: 29.204 CE :: 41.711 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 :: 8.489 HA :: 4.197 HB2 :: 1.904 HB3 :: 1.739 HG2 :: 1.492 HG3 :: 1.406 HD2 :: 1.708 HD3 :: 1.688 HE2 :: 2.980 HE3 :: 2.980 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 :: 116.484 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 D 0.12 C 0.12 L 0.11 I 0.05 N 0.03 K 0.02 C Shift Assignments>> C :: 178.237 CA :: 57.197 CB :: 40.145 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 :: 8.132 HA :: 4.359 HB2 :: 2.849 HB3 :: 2.713 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 :: 119.476 Ave N Shift Values>> N :: 120.65(3.86) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 K 0.22 C 0.14 R 0.02 A 0.01 Q 0.01 C Shift Assignments>> C :: 176.183 CA :: 52.889 CB :: 24.455 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.229 HA :: 4.278 HB1 :: 1.912 HB2 :: 1.912 HB3 :: 1.912 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.166 Ave N Shift Values>> N :: 123.23(3.54) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.116 CA :: 46.792 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.688 HA2 :: 3.896 HA3 :: 3.733 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.002 Ave N Shift Values>> N :: 109.67(3.87) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 Y 0.29 C Shift Assignments>> C :: 174.803 CA :: 59.206 CB :: 39.379 CG :: 129.550 CD1 :: 135.250 CD2 :: 135.250 CE1 :: 118.589 CE2 :: 118.589 CZ :: 158.570 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.192 HA :: 4.507 HB2 :: 2.563 HB3 :: 2.366 HD1 :: 6.880 HD2 :: 6.880 HE1 :: 7.334 HE2 :: 7.334 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.261 Ave N Shift Values>> N :: 120.52(4.2) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 Q 0.16 E 0.01 C Shift Assignments>> C :: 172.986 CA :: 52.696 CB :: 32.585 CG :: 32.745 CD :: 181.470 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.674 HA :: 4.662 HB2 :: 2.113 HB3 :: 1.920 HG2 :: 2.484 HG3 :: 2.766 HE21 :: 7.349 HE22 :: 6.577 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.531 NE2 :: 112.363 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.37 K 0.08 I 0.07 Q 0.03 C Shift Assignments>> C :: 174.735 CA :: 56.366 CB :: 29.218 CG :: 36.770 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 :: 8.223 HA :: 4.087 HB2 :: 2.281 HB3 :: 1.815 HG2 :: 2.351 HG3 :: 2.351 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 :: 115.221 Ave N Shift Values>> N :: 120.67(3.48) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.861 CA :: 56.242 CB :: 63.972 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.295 HA :: 4.996 HB2 :: 3.727 HB3 :: 3.680 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 :: 112.840 Ave N Shift Values>> N :: 116.28(3.52) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 176.112 CA :: 63.044 CB :: 33.370 CG :: 27.559 CD :: 51.290 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 :: 4.152 HB2 :: 1.942 HB3 :: 1.681 HG2 :: 1.870 HG3 :: 1.693 HD2 :: 3.404 HD3 :: 4.026 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) N Shift Assignments>> N :: 130.360 Ave N Shift Values>> N :: 134.16(6.62) 1.N17 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.77 C 0.21 HN Overlap>> 1.S42 1.S42 C Shift Assignments>> C :: 175.738 CA :: 50.019 CB :: 36.246 CG :: 176.640 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 :: 7.918 HA :: 4.409 HB2 :: 1.039(S) HB3 :: 0.691(S) HD21 :: 6.170 HD22 :: 3.959(S) 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 :: 116.403 ND2 :: 106.150 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (HD22 > HA : 0.9966) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.113 CA :: 46.580 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.169 HA2 :: 3.382 HA3 :: 3.707 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.643 Ave N Shift Values>> N :: 109.67(3.87) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 177.987 CA :: 52.235 CB :: 19.197 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.783 HA :: 4.207 HB1 :: 1.327 HB2 :: 1.327 HB3 :: 1.327 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.879 Ave N Shift Values>> N :: 123.23(3.54) 1.K20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.45 C 0.39 R 0.13 C Shift Assignments>> C :: 173.083 CA :: 56.515 CB :: 32.140 CG :: 24.513 CD :: 29.188 CE :: 42.039 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 :: 7.623 HA :: 3.857 HB2 :: 1.543 HB3 :: 0.262(S) HG2 :: 1.297 HG3 :: 1.133 HD2 :: 1.591 HD3 :: 1.396 HE2 :: 2.954 HE3 :: 2.936 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 :: 118.436 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 C 0.35 G 0.18 K 0.06 C Shift Assignments>> C :: 176.863 CA :: 53.539 CB :: 32.910 CG :: 26.477 CD :: 43.586 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 :: 7.466 HA :: 6.127(S) HB2 :: 2.430 HB3 :: 1.800 HG2 :: 1.690 HG3 :: 1.449 HD2 :: 3.498 HD3 :: 3.003 HE :: 7.345 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 :: 115.867 NE :: 84.940 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.C22 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> W 1 C Shift Assignments>> C :: 177.628 CA :: 89.492(A) CB :: 102.670(A) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.457 HA :: 8.184(A) HB2 :: 6.600(A) HB3 :: 16.600(A) 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 :: 131.400 Ave N Shift Values>> N :: 120.17(4.64) SRO Rule Breaks>> (H > HB3 : 0.9986) (CA > CB : 1.0000) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 176.057 CA :: 46.252 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.619 HA2 :: 3.914 HA3 :: 3.810 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 97.542 Ave N Shift Values>> N :: 109.67(3.87) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.608 CA :: 60.846 CB :: 69.120 CG2 :: 21.034 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.619 HA :: 4.692 HB :: 4.955 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.843 Ave N Shift Values>> N :: 115.42(4.75) 1.C25 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.481 CA :: 80.021(A) CB :: 103.800(A) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.362 HA :: 3.864 HB2 :: 9.940(A) HB3 :: 8.090(A) 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 :: 130.052 Ave N Shift Values>> N :: 120.17(4.64) SRO Rule Breaks>> (H > HB2 : 0.9986) (CA > CB : 1.0000) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.42 G 0.08 K 0.03 C Shift Assignments>> C :: 179.251 CA :: 58.963 CB :: 31.141 CG :: 27.058 CD :: 43.560 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 :: 9.277 HA :: 4.466 HB2 :: 1.942 HB3 :: 1.840 HG2 :: 1.720 HG3 :: 1.647 HD2 :: 3.147 HD3 :: 3.088 HE :: 6.961 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 :: 131.444 NE :: 82.498 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.Q27 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> S 0.14 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.04 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 175.378 CA :: 58.776 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.616 HA :: 4.978 HB2 :: 2.747 HB3 :: 2.458 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 141.703(A) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F28 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 C 0.12 C Shift Assignments>> C :: 178.040 CA :: 63.753 CB :: 52.302(A) CG :: 138.690 CD1 :: 133.800 CD2 :: 133.800 CE1 :: 130.360 CE2 :: 130.360 CZ :: 129.160 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 :: 7.721 HA :: 4.404 HB2 :: 3.209 HB3 :: 3.209 HD1 :: 7.130 HD2 :: 7.130 HE1 :: 7.080 HE2 :: 7.080 HZ :: 7.120 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 :: 123.351 Ave N Shift Values>> N :: 120.45(4.18) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.27 R 0.17 K 0.09 L 0.02 C Shift Assignments>> C :: 171.100 CA :: 49.905 CB :: 29.864 CG :: 25.498 CD :: 42.823 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 :: 8.189 HA :: 4.586 HB2 :: 1.275 HB3 :: 1.127 HG2 :: 1.487 HG3 :: 1.395 HD2 :: 3.337 HD3 :: 2.911 HE :: 7.217 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 :: 128.206 NE :: 83.325 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.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.64 P 0.35 C Shift Assignments>> C :: 176.190 CA :: 61.200 CB :: 30.345 CG :: 26.169 CD :: 50.453 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 :: 3.391 HB2 :: 2.227 HB3 :: 1.711 HG2 :: 1.884 HG3 :: 1.779 HD2 :: 3.520 HD3 :: 2.786 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.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 P 0.04 A 0.02 C Shift Assignments>> C :: 177.995 CA :: 64.321 CB :: 34.997 CG :: 24.511 CD :: 50.410 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 :: 4.395 HB2 :: 2.389 HB3 :: 2.124 HG2 :: 1.919 HG3 :: 1.847 HD2 :: 3.586 HD3 :: 3.333 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) N Shift Assignments>> N :: 128.950 Ave N Shift Values>> N :: 134.16(6.62) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.363 CA :: 57.437 CB :: 64.362 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.147 HA :: 5.429 HB2 :: 4.048 HB3 :: 3.825 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 :: 111.758 Ave N Shift Values>> N :: 116.28(3.52) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 169.487 CA :: 57.246 CB :: 66.061 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.553 HA :: 4.691 HB2 :: 3.566 HB3 :: 3.474 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 :: 114.868 Ave N Shift Values>> N :: 116.28(3.52) 1.C34 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 173.847 CA :: 90.374(A) CB :: 111.008(A) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.546 HA :: 3.830 HB2 :: 14.539(A) HB3 :: 5.754(A) 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 :: 129.021 Ave N Shift Values>> N :: 120.17(4.64) SRO Rule Breaks>> (H > HB2 : 0.9986) (CA > CB : 1.0000) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 177.234 CA :: 64.131 CB :: 38.524 CG1 :: 26.892 CG2 :: 18.800 CD1 :: 12.927 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.367 HA :: 4.162 HB :: 2.034 HG12 :: 1.667 HG13 :: 1.459 HG21 :: 1.002 HG22 :: 1.002 HG23 :: 1.002 HD11 :: 0.914 HD12 :: 0.914 HD13 :: 0.914 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.976 Ave N Shift Values>> N :: 121.46(4.28) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.080 CA :: 63.128 CB :: 69.749 CG2 :: 21.743 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.750 HA :: 4.302 HB :: 4.058 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 127.570 Ave N Shift Values>> N :: 115.42(4.75) 1.V37 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.99 C Shift Assignments>> C :: 173.922 CA :: 62.996 CB :: 36.821 CG1 :: 25.972(S) CG2 :: 23.883 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 :: 7.001 HA :: 5.017 HG21 :: 1.239 HG22 :: 1.239 HG23 :: 1.239 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 :: 149.900(A) Ave N Shift Values>> N :: 121.14(4.54) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 C 0.44 Q 0.05 K 0.02 I 0.01 C Shift Assignments>> C :: 174.796 CA :: 56.944 CB :: 31.117 CG :: 36.199 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 :: 8.609 HA :: 3.791 HB2 :: 1.824 HB3 :: 1.730 HG2 :: 2.191 HG3 :: 2.152 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 :: 122.841 Ave N Shift Values>> N :: 120.67(3.48) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.360 CA :: 58.987 CB :: 62.713 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.431 HA :: 4.059 HB2 :: 4.068 HB3 :: 3.544 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 :: 115.700 Ave N Shift Values>> N :: 116.28(3.52) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 A 0.01 P 0.01 C Shift Assignments>> C :: 174.305 CA :: 62.608 CB :: 34.781 CG :: 24.184 CD :: 50.583 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 :: 4.581 HB2 :: 2.340 HB3 :: 2.023 HG2 :: 1.917 HG3 :: 1.888 HD2 :: 3.405 HD3 :: 3.284 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) N Shift Assignments>> N :: 136.150 Ave N Shift Values>> N :: 134.16(6.62) 1.I41 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 A 0.03 L 0.03 V 0.01 C Shift Assignments>> C :: 175.487 CA :: 58.162 CB :: 39.299 CG1 :: 26.944 CG2 :: 21.036 CD1 :: 20.834(S) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.281 HA :: 4.104 HB :: 1.340 HG12 :: 1.040 HG13 :: 0.275 HG21 :: 0.095 HG22 :: 0.095 HG23 :: 0.095 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.164 Ave N Shift Values>> N :: 121.46(4.28) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N17 1.N17 C Shift Assignments>> C :: 175.488 CA :: 55.203 CB :: 64.997 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.845 HA :: 4.874 HB2 :: 3.956 HB3 :: 3.638 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 :: 116.372 Ave N Shift Values>> N :: 116.28(3.52) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.22 Q 0.19 K 0.19 I 0.05 R 0.01 C Shift Assignments>> C :: 175.986 CA :: 58.653 CB :: 29.209 CG :: 34.920 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 :: 9.116 HA :: 3.336 HB2 :: 2.109 HB3 :: 1.955 HG2 :: 2.242 HG3 :: 2.037 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 :: 121.178 Ave N Shift Values>> N :: 120.67(3.48) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.31 L 0.11 F 0.06 C 0.06 Y 0.05 C Shift Assignments>> C :: 172.236 CA :: 52.896 CB :: 40.049 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 :: 7.977 HA :: 5.001 HB2 :: 2.997 HB3 :: 2.423 HD21 :: 7.558 HD22 :: 6.872 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 :: 116.836 ND2 :: 111.774 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 172.991 CA :: 45.525 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.195 HA2 :: 4.135 HA3 :: 3.770 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.614 Ave N Shift Values>> N :: 109.67(3.87) 1.W46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.43 C Shift Assignments>> C :: 172.615 CA :: 65.533 CB :: 31.097 CG :: 113.800 CD1 :: 125.998 CE2 :: 139.470 CE3 :: 119.950 CZ2 :: 114.740 CZ3 :: 122.090 CH2 :: 124.280 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 :: 7.858 HA :: 5.189 HB2 :: 2.845 HB3 :: 3.874 HD1 :: 6.645 HE1 :: 8.528 HE3 :: 6.738 HZ2 :: 7.390 HZ3 :: 6.909 HH2 :: 7.000 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 :: 113.697 NE1 :: 123.988 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C47 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.94 C 0.05 C Shift Assignments>> C :: 170.612 CA :: 90.000(A) CB :: 88.300(A) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.470 HB2 :: 8.950(A) HB3 :: 7.990(A) 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 :: 118.867 Ave N Shift Values>> N :: 120.17(4.64) SRO Rule Breaks>> (H > HB2 : 0.9986) (H > HB3 : 0.9986) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.41 G 0.07 K 0.05 C Shift Assignments>> C :: 180.238 CA :: 57.360 CB :: 29.821 CG :: 27.874 CD :: 43.467 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 :: 6.786 HA :: 3.599 HB2 :: 1.622 HB3 :: 1.622 HG2 :: 1.661 HG3 :: 1.533 HD2 :: 3.181 HD3 :: 3.112 HE :: 7.264 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 :: 115.186 NE :: 82.595 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.L49 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.87 K 0.06 G 0.02 R 0.02 A 0.01 C Shift Assignments>> C :: 180.836 CA :: 58.218 CB :: 42.412 CG :: 34.818(S) CD1 :: 21.822 CD2 :: 29.898(S) 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 :: 7.740 HA :: 4.132 HG :: 1.405 HD21 :: 1.309 HD22 :: 1.309 HD23 :: 1.309 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 :: 154.700(A) Ave N Shift Values>> N :: 121.86(3.9) 1.Y50 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 173.752 CA :: 62.384 CD1 :: 137.226(S) CD2 :: 137.226(S) CE1 :: 120.116 CE2 :: 120.116 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.000 HD1 :: 6.306 HD2 :: 6.306 HE1 :: 7.147 HE2 :: 7.147 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.500 Ave N Shift Values>> N :: 120.52(4.2) 1.A51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.92 L 0.03 C 0.03 C Shift Assignments>> C :: 175.110 CA :: 50.845 CB :: 20.751 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 5.460(S) HA :: 4.265 HB1 :: 1.013 HB2 :: 1.013 HB3 :: 1.013 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.040 Ave N Shift Values>> N :: 123.23(3.54) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.492 CA :: 45.853 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.331 HA2 :: 3.681 HA3 :: 3.987 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.726 Ave N Shift Values>> N :: 109.67(3.87) 1.K53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 175.557 CA :: 57.102 CB :: 33.348 CG :: 25.217 CD :: 29.725 CE :: 38.577(S) 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 :: 8.427 HA :: 4.142 HB2 :: 1.787 HB3 :: 1.787 HG2 :: 1.381 HG3 :: 1.381 HD2 :: 1.655 HD3 :: 1.655 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 :: 120.149 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 L 0.05 C 0.05 C Shift Assignments>> C :: 182.488 CA :: 53.770 CB :: 20.200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.038 HA :: 4.102 HB1 :: 1.295 HB2 :: 1.295 HB3 :: 1.295 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.471 Ave N Shift Values>> N :: 123.23(3.54) 2.SF41 Overall Status: Residue type SF4 not supported. ########################################################################### Overall Results: #Consistent: 39 #Clerical: 0 #Suspicious: 6 #Anomalous: 3 #Mistyped: 6 #Indeterminable: 0 Typing Results: #Consistent: 47 #Suspicious: 1 #Mistyped: 6 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 49 #Suspicious: 5 C Shift Results: #Consistent: 215 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 9 H Shift Results: #Consistent: 309 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 9 N Shift Results: #Consistent: 57 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 3 Error Summary: 1.N17 HB2 = 1.039(S), Expected = 2.81, Std = 0.3100, ChiSquare = 1.1106e-08 1.N17 HB3 = 0.691(S), Expected = 2.75, Std = 0.3300, ChiSquare = 4.3927e-10 1.N17 HD22 = 3.959(S), Expected = 7.14, Std = 0.4900, ChiSquare = 8.4796e-11 1.N17 SRO Rule Break>> HD22 > HA : 0.996558505408063 1.K20 HB3 = 0.262(S), Expected = 1.74, Std = 0.2700, ChiSquare = 4.3981e-08 1.R21 HA = 6.127(S), Expected = 4.30, Std = 0.4600, ChiSquare = 7.1350e-05 1.C22 Typing: Mistyped 1.C22 CA = 89.492(A), Expected = 58.30, Std = 3.3300, ChiSquare = 7.4647e-21 1.C22 CB = 102.670(A), Expected = 32.49, Std = 6.0100, ChiSquare = 1.6669e-31 1.C22 HA = 8.184(A), Expected = 4.66, Std = 0.5500, ChiSquare = 1.4815e-10 1.C22 HB2 = 6.600(A), Expected = 2.96, Std = 0.4400, ChiSquare = 1.3093e-16 1.C22 HB3 = 16.600(A), Expected = 2.89, Std = 0.4600, ChiSquare = 0.0000e+00 1.C22 SRO Rule Break>> H > HB3 : 0.99856184084372 1.C22 SRO Rule Break>> CA > CB : 1 1.C25 Typing: Mistyped 1.C25 CA = 80.021(A), Expected = 58.30, Std = 3.3300, ChiSquare = 6.8996e-11 1.C25 CB = 103.800(A), Expected = 32.49, Std = 6.0100, ChiSquare = 1.7942e-32 1.C25 HB2 = 9.940(A), Expected = 2.96, Std = 0.4400, ChiSquare = 1.1315e-56 1.C25 HB3 = 8.090(A), Expected = 2.89, Std = 0.4600, ChiSquare = 1.2488e-29 1.C25 SRO Rule Break>> H > HB2 : 0.998581560283688 1.C25 SRO Rule Break>> CA > CB : 1 1.Q27 N = 141.703(A), Expected = 119.89, Std = 3.6000, ChiSquare = 1.3683e-09 1.F28 Typing: Mistyped 1.F28 CB = 52.302(A), Expected = 39.99, Std = 2.0900, ChiSquare = 3.8408e-09 1.C34 Typing: Mistyped 1.C34 CA = 90.374(A), Expected = 58.30, Std = 3.3300, ChiSquare = 5.8674e-22 1.C34 CB = 111.008(A), Expected = 32.49, Std = 6.0100, ChiSquare = 5.2488e-39 1.C34 HB2 = 14.539(A), Expected = 2.96, Std = 0.4400, ChiSquare = 0.0000e+00 1.C34 HB3 = 5.754(A), Expected = 2.89, Std = 0.4600, ChiSquare = 4.7823e-10 1.C34 SRO Rule Break>> H > HB2 : 0.998581560283688 1.C34 SRO Rule Break>> CA > CB : 1 1.V37 CG1 = 25.972(S), Expected = 21.49, Std = 1.3600, ChiSquare = 9.8216e-04 1.V37 N = 149.900(A), Expected = 121.14, Std = 4.5400, ChiSquare = 2.3765e-10 1.I41 Typing: Mistyped 1.I41 CD1 = 20.834(S), Expected = 13.43, Std = 1.6700, ChiSquare = 9.2701e-06 1.C47 CA = 90.000(A), Expected = 58.30, Std = 3.3300, ChiSquare = 1.7398e-21 1.C47 CB = 88.300(A), Expected = 32.49, Std = 6.0100, ChiSquare = 1.5991e-20 1.C47 HB2 = 8.950(A), Expected = 2.96, Std = 0.4400, ChiSquare = 3.3229e-42 1.C47 HB3 = 7.990(A), Expected = 2.89, Std = 0.4600, ChiSquare = 1.4514e-28 1.C47 SRO Rule Break>> H > HB2 : 0.998581560283688 1.C47 SRO Rule Break>> H > HB3 : 0.99856184084372 1.L49 Typing: Mistyped 1.L49 CG = 34.818(S), Expected = 26.78, Std = 1.1000, ChiSquare = 2.7262e-13 1.L49 CD2 = 29.898(S), Expected = 24.05, Std = 1.7000, ChiSquare = 5.8171e-04 1.L49 N = 154.700(A), Expected = 121.86, Std = 3.9000, ChiSquare = 3.7484e-17 1.Y50 Typing: Suspicious 1.Y50 CD1 = 137.226(S), Expected = 132.77, Std = 1.1700, ChiSquare = 1.3979e-04 1.Y50 CD2 = 137.226(S), Expected = 132.73, Std = 1.3000, ChiSquare = 5.4327e-04 1.A51 H = 5.460(S), Expected = 8.20, Std = 0.6000, ChiSquare = 4.9554e-06 1.K53 CE = 38.577(S), Expected = 41.89, Std = 0.8200, ChiSquare = 5.3396e-05