Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.385 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.939 HA3 :: 3.846 H1 :: 8.373(U) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.375 Ave N Shift Values>> N :: 109.67(3.87) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.12 N 0.09 F 0.08 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> CA :: 54.146 CB :: 41.362 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 :: 8.169 HA :: 4.540 HB2 :: 2.538 HB3 :: 2.617 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 :: 120.226 Ave N Shift Values>> N :: 120.65(3.86) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> CA :: 52.529 CB :: 18.997 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.257 HA :: 4.162 HB1 :: 1.188 HB2 :: 1.188 HB3 :: 1.188 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.275 Ave N Shift Values>> N :: 123.23(3.54) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.41 R 0.05 C Shift Assignments>> CA :: 56.050 CB :: 33.768 CG :: 24.481 CD :: 29.319 CE :: 41.930 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 :: 7.866 HA :: 4.089 HB2 :: 1.281 HB3 :: 1.281 HG2 :: 1.149 HG3 :: 1.280 HD2 :: 1.372 HD3 :: 1.401 HE2 :: 2.793 HE3 :: 2.793 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 :: 121.619 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.26 K 0.23 G 0.06 C Shift Assignments>> CA :: 53.359 CB :: 31.342 CG :: 25.661 CD :: 28.221 CE :: 43.000 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 :: 9.010 HA :: 4.760 HB2 :: 2.100 HB3 :: 2.311 HG2 :: 1.569 HG3 :: 1.569 HD2 :: 1.688 HD3 :: 1.688 HE2 :: 3.043 HE3 :: 2.857 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 :: 121.131 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.14 C Shift Assignments>> CA :: 67.313 CB :: 30.883 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.027 HA :: 3.790 HB2 :: 3.015 HB3 :: 2.751 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 :: 115.060 Ave N Shift Values>> N :: 120.17(4.64) 1.R7 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.45 C Shift Assignments>> CA :: 60.320 CB :: 28.494 CG :: 27.771 CD :: 45.750 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 :: 7.946 HA :: 3.193 HB2 :: 0.981 HB3 :: 1.714 HG2 :: 1.476 HG3 :: 1.522 HD2 :: 3.391 HD3 :: 2.904 HE :: 8.756 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 :: 117.460 NE :: 87.676 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.14 C Shift Assignments>> CA :: 58.413 CB :: 33.274 CG :: 25.448 CD :: 29.375 CE :: 42.093 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 :: 8.219 HA :: 3.981 HB2 :: 1.731 HB3 :: 1.814 HG2 :: 1.306 HG3 :: 1.382 HD2 :: 1.732 HD3 :: 1.607 HE2 :: 2.893 HE3 :: 2.893 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 :: 120.440 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> CA :: 66.511 CB :: 32.415 CG1 :: 19.730 CG2 :: 22.568 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 :: 8.114 HA :: 3.137 HB :: 0.982 HG11 :: -0.139(S) HG12 :: -0.139(S) HG13 :: -0.139(S) HG21 :: -0.098 HG22 :: -0.098 HG23 :: -0.098 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 :: 118.393 Ave N Shift Values>> N :: 121.14(4.54) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> CA :: 59.197 CB :: 40.277 CD1 :: 133.782 CD2 :: 133.782 CE1 :: 119.016 CE2 :: 119.016 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 :: 8.821 HA :: 4.631 HB2 :: 3.093 HB3 :: 3.462 HD1 :: 7.300 HD2 :: 7.300 HE1 :: 7.241 HE2 :: 7.241 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 :: 116.433 Ave N Shift Values>> N :: 120.52(4.2) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.24 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.442 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.068 HA2 :: 4.347 HA3 :: 4.577 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.473 Ave N Shift Values>> N :: 109.67(3.87) 1.M12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.46 A 0.05 C Shift Assignments>> CA :: 56.857 CB :: 32.509 CG :: 32.974 CE :: 17.156 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 :: 9.121 HA :: 4.632 HB2 :: 2.170 HB3 :: 2.170 HG2 :: 2.759 HG3 :: 2.799 HE1 :: 2.165 HE2 :: 2.165 HE3 :: 2.165 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 :: 119.758 Ave N Shift Values>> N :: 120.09(3.57) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.42 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> CA :: 58.076 CB :: 29.215 CG :: 36.717 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 :: 9.064 HA :: 4.217 HB2 :: 2.121 HB3 :: 2.095 HG2 :: 2.335 HG3 :: 2.335 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 :: 117.458 Ave N Shift Values>> N :: 120.67(3.48) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.18 K 0.16 C Shift Assignments>> CA :: 51.860 CB :: 27.618 CG :: 25.424 CD :: 41.156 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 :: 7.105 HA :: 4.828 HB2 :: 1.823 HB3 :: 2.049 HG2 :: 1.789 HG3 :: 1.414 HD2 :: 3.332 HD3 :: 3.332 HE :: 8.546 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 :: 117.918 NE :: 82.618 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.R15 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.45 C 0.42 G 0.06 K 0.04 C Shift Assignments>> CA :: 57.985 CB :: 29.840 CG :: 27.407 CD :: 43.349 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 :: 7.125 HA :: 1.703(S) HB2 :: 1.010 HB3 :: 1.010 HG2 :: 0.280(S) HG3 :: 0.280(S) HD2 :: 2.637 HD3 :: 2.744 HE :: 6.932 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 :: 121.125 NE :: 84.27 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 F 0.19 N 0.18 D 0.18 C 0.13 L 0.08 C Shift Assignments>> CA :: 55.538 CB :: 39.201 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 :: 8.516 HA :: 3.979 HB2 :: 2.430 HB3 :: 2.507 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 :: 114.410 Ave N Shift Values>> N :: 120.65(3.86) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.23 A 0.15 R 0.02 C Shift Assignments>> CA :: 54.536 CB :: 41.593 CG :: 26.596 CD1 :: 25.826 CD2 :: 21.942 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 :: 7.603 HA :: 4.045 HB2 :: 0.594 HB3 :: 1.418 HG :: 1.432 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.624 HD22 :: 0.624 HD23 :: 0.624 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 :: 117.761 Ave N Shift Values>> N :: 121.86(3.9) 1.W18 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 55.599 CB :: 31.320 CD1 :: 125.270 CE3 :: 120.542 CZ2 :: 119.852(S) CZ3 :: 125.209 CH2 :: 120.346 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 :: 7.243 HA :: 4.875 HB2 :: 3.216 HB3 :: 3.473 HD1 :: 6.952 HE1 :: 9.345 HE3 :: 7.067 HZ2 :: 7.198 HZ3 :: 7.239 HH2 :: 7.192 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 :: 117.988 NE1 :: 124.925 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.19 E 0.17 R 0.15 Q 0.1 K 0.06 M 0.05 V 0.03 C Shift Assignments>> CA :: 58.669 CB :: 30.450 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 10.425 HA :: 4.575 HB2 :: 3.468 HB3 :: 2.726 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 :: 127.500 Ave N Shift Values>> N :: 120.17(4.64) 1.T20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 65.783 CB :: 68.390 CG2 :: 21.050 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 :: 8.038 HA :: 3.127 HB :: 3.288 HG21 :: 0.176(S) HG22 :: 0.176(S) HG23 :: 0.176(S) 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 :: 114.841 Ave N Shift Values>> N :: 115.42(4.75) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 M 0.32 C 0.11 V 0.06 L 0.05 T 0.02 C Shift Assignments>> CA :: 56.086 CB :: 19.750 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.279 HA :: 3.786 HB1 :: 1.430 HB2 :: 1.430 HB3 :: 1.430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.935 Ave N Shift Values>> N :: 123.23(3.54) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.39 W 0.05 C Shift Assignments>> CA :: 65.543 CB :: 28.900 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.101 HA :: 4.276 HB2 :: 2.980 HB3 :: 3.003 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 :: 122.904 Ave N Shift Values>> N :: 120.17(4.64) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 G 0.13 R 0.12 K 0.05 C Shift Assignments>> CA :: 60.655 CB :: 29.900 CG :: 29.640 CD :: 43.345 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 :: 8.155 HA :: 4.113 HB2 :: 1.871 HB3 :: 1.803 HG2 :: 1.812 HG3 :: 1.302 HD2 :: 3.056 HD3 :: 2.980 HE :: 6.934 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 :: 121.025 NE :: 82.822 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.W24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 W 0.32 C Shift Assignments>> CA :: 54.304 CB :: 29.765 CD1 :: 122.411 CE3 :: 120.571 CZ2 :: 115.095 CZ3 :: 122.025 CH2 :: 125.244 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 :: 7.933 HA :: 4.787 HB2 :: 3.273 HB3 :: 3.273 HD1 :: 6.946 HE1 :: 10.481 HE3 :: 7.390 HZ2 :: 7.681 HZ3 :: 7.101 HH2 :: 7.357 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 :: 120.000 NE1 :: 127.513 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.36 K 0.08 G 0.01 C Shift Assignments>> CA :: 57.830 CB :: 28.515 CG :: 24.574 CD :: 30.448 CE :: 42.250 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 :: 7.786 HA :: 3.741 HB2 :: 1.112 HB3 :: 1.820 HG2 :: 1.192 HG3 :: 1.280 HD2 :: 1.599 HD3 :: 1.494 HE2 :: 2.848 HE3 :: 2.945 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 :: 112.373 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.28 R 0.19 G 0.11 A 0.07 C Shift Assignments>> CA :: 51.651 CB :: 33.670 CG :: 23.670 CD :: 28.036 CE :: 42.670 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 :: 8.511 HA :: 4.632 HB2 :: 1.760 HB3 :: 1.982 HG2 :: 1.518 HG3 :: 1.571 HD2 :: 1.627 HD3 :: 1.627 HE2 :: 2.730 HE3 :: 3.105 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 :: 115.592 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> CA :: 52.230 CB :: 19.052 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.243 HA :: 4.295 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.200 Ave N Shift Values>> N :: 123.23(3.54) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.28 W 0.03 K 0.02 R 0.01 Q 0.01 M 0.01 C Shift Assignments>> CA :: 62.360 CB :: 33.120 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.918 HA :: 4.206 HB2 :: 2.884 HB3 :: 2.771 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 :: 124.850 Ave N Shift Values>> N :: 120.17(4.64) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.23 M 0.21 K 0.14 E 0.1 C Shift Assignments>> CA :: 55.100 CB :: 30.430 CG :: 34.155 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 :: 8.426 HA :: 4.511 HB2 :: 1.993 HB3 :: 2.261 HG2 :: 2.565 HG3 :: 2.478 HE21 :: 6.821 HE22 :: 7.536 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 :: 127.191 NE2 :: 112.590 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 R 0.2 G 0.17 K 0.06 C Shift Assignments>> CA :: 57.780 CB :: 33.050 CG :: 25.730 CD :: 44.000 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 :: 9.643 HA :: 4.090 HB2 :: 1.342 HB3 :: 1.526 HG2 :: 0.080(S) HG3 :: 0.824 HD2 :: 2.944 HD3 :: 3.011 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 :: 127.800 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.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> CA :: 56.893 CB :: 39.088 CD1 :: 132.794 CD2 :: 132.794 CE1 :: 131.283 CE2 :: 131.283 CZ :: 129.072 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 :: 8.565 HA :: 4.714 HB2 :: 3.011 HB3 :: 3.188 HD1 :: 7.400 HD2 :: 7.400 HE1 :: 7.382 HE2 :: 7.382 HZ :: 7.152 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 :: 123.733 Ave N Shift Values>> N :: 120.45(4.18) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.23 R 0.06 A 0.03 G 0.03 C Shift Assignments>> CA :: 54.700 CB :: 42.800 CG :: 27.155 CD1 :: 25.158 CD2 :: 23.104 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 :: 7.946 HA :: 4.306 HB2 :: 1.556 HB3 :: 1.556 HG :: 1.399 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 HD21 :: 0.742 HD22 :: 0.742 HD23 :: 0.742 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 :: 122.896 Ave N Shift Values>> N :: 121.86(3.9) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.2 R 0.15 D 0.14 F 0.1 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> CA :: 56.010 CB :: 42.300 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 :: 7.977 HA :: 4.308 HB2 :: 2.488 HB3 :: 2.639 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 :: 125.353 Ave N Shift Values>> N :: 120.65(3.86) 2.DT1 Overall Status: Residue type DT not supported. 2.DA2 Overall Status: Residue type DA not supported. 2.DT3 Overall Status: Residue type DT not supported. 2.DG4 Overall Status: Residue type DG not supported. 2.DC5 Overall Status: Residue type DC not supported. 2.DC6 Overall Status: Residue type DC not supported. 2.DG7 Overall Status: Residue type DG not supported. 2.DG8 Overall Status: Residue type DG not supported. 2.DG9 Overall Status: Residue type DG not supported. 2.DA10 Overall Status: Residue type DA not supported. 2.DC11 Overall Status: Residue type DC not supported. 3.DG1 Overall Status: Residue type DG not supported. 3.DT2 Overall Status: Residue type DT not supported. 3.DC3 Overall Status: Residue type DC not supported. 3.DC4 Overall Status: Residue type DC not supported. 3.DC5 Overall Status: Residue type DC not supported. 3.DG6 Overall Status: Residue type DG not supported. 3.DG7 Overall Status: Residue type DG not supported. 3.DC8 Overall Status: Residue type DC not supported. 3.DA9 Overall Status: Residue type DA not supported. 3.DT10 Overall Status: Residue type DT not supported. 3.DA11 Overall Status: Residue type DA not supported. 4.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 26 #Clerical: 1 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 32 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 31 #Suspicious: 2 C Shift Results: #Consistent: 120 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 229 #Duplicate: 0 #Unknown: 1 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 40 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G1 H1 = 8.373(U) 1.R7 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.V9 HG11 = -0.139(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.9383e-04 1.V9 HG12 = -0.139(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.9383e-04 1.V9 HG13 = -0.139(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.9383e-04 1.R15 HA = 1.703(S), Expected = 4.30, Std = 0.4600, ChiSquare = 1.6456e-08 1.R15 HG2 = 0.280(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.7724e-06 1.R15 HG3 = 0.280(S), Expected = 1.54, Std = 0.2900, ChiSquare = 1.3939e-05 1.R15 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.W18 Typing: Suspicious 1.W18 CZ2 = 119.852(S), Expected = 114.26, Std = 1.1200, ChiSquare = 5.9493e-07 1.T20 HG21 = 0.176(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.7736e-05 1.T20 HG22 = 0.176(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.7736e-05 1.T20 HG23 = 0.176(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.7736e-05 1.R30 HG2 = 0.080(S), Expected = 1.57, Std = 0.2700, ChiSquare = 3.4187e-08