Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.I1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.111 HG12 :: 1.256 HG13 :: 1.256 HG21 :: 1.119 HG22 :: 1.119 HG23 :: 1.119 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) 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> CA :: 62.165 CB :: 30.114 CD :: 49.229 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 :: 4.498 HB2 :: 2.321 HB3 :: 2.122 HG2 :: 2.031 HG3 :: 2.031 HD2 :: 3.826 HD3 :: 3.688 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.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.343 CB :: 62.584 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.112 HA :: 4.471 HB2 :: 3.927 HB3 :: 3.822 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 :: 112.847 Ave N Shift Values>> N :: 116.28(3.52) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.121 CB :: 61.617 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.421 HA :: 4.784 HB2 :: 4.160 HB3 :: 3.960 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 :: 117.087 Ave N Shift Values>> N :: 116.28(3.52) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> CA :: 63.926 CB :: 30.456 CD :: 49.040 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 :: 4.364 HB2 :: 2.426 HB3 :: 2.188 HG2 :: 2.094 HG3 :: 2.037 HD2 :: 4.057 HD3 :: 3.998 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.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.35 P 0.24 V 0.24 I 0.14 C Shift Assignments>> CA :: 64.272 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 :: 7.707 HA :: 3.723 HB :: 2.130 HG11 :: 1.072 HG12 :: 1.072 HG13 :: 1.072 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 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 :: 116.106 Ave N Shift Values>> N :: 121.14(4.54) 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.34 K 0.1 H 0.09 I 0.07 HN Overlap>> 1.L33 1.L33 C Shift Assignments>> CA :: 56.907 CB :: 26.763 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 :: 7.919 HA :: 4.608 HB2 :: 3.487 HB3 :: 3.443 HD2 :: 7.468 HE1 :: 8.838 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 :: 118.261 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.25 R 0.23 K 0.21 L 0.17 S 0.07 A 0.02 I 0.01 C Shift Assignments>> CA :: 56.485 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 :: 8.120 HA :: 4.038 HB2 :: 1.848 HB3 :: 1.781 HD11 :: 0.979 HD12 :: 0.979 HD13 :: 0.979 HD21 :: 0.979 HD22 :: 0.979 HD23 :: 0.979 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 :: 118.335 Ave N Shift Values>> N :: 121.86(3.9) 1.K9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> I 0.48 L 0.3 K 0.2 C Shift Assignments>> CA :: 58.580 CE :: 40.412 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 :: 8.119 HA :: 3.954 HB2 :: 2.026 HB3 :: 1.984 HG2 :: 1.509 HG3 :: 1.509 HD2 :: 1.763 HD3 :: 1.681 HE2 :: 2.948 HE3 :: 2.948 HZ1 :: 7.992(U) HZ2 :: 7.992(U) HZ3 :: 7.992(U) 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 :: 118.718 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R10 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> K 0.41 R 0.27 L 0.23 I 0.06 G 0.01 C Shift Assignments>> CA :: 58.581 CD :: 42.271 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 :: 8.084 HA :: 3.952 HB2 :: 2.043 HB3 :: 1.978 HG2 :: 1.666 HG3 :: 1.666 HD2 :: 3.314 HD3 :: 3.256 HE :: 7.539 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 :: 117.486 NE :: 116.567(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.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.24 R 0.24 K 0.22 L 0.16 S 0.07 A 0.02 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.617 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 :: 8.016 HA :: 4.048 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 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 :: 119.000 Ave N Shift Values>> N :: 121.86(3.9) 1.K12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> I 0.54 L 0.26 K 0.18 C Shift Assignments>> CA :: 58.810 CE :: 40.401 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 :: 8.152 HA :: 3.913 HB2 :: 2.037 HB3 :: 1.984 HG2 :: 1.453 HG3 :: 1.453 HD2 :: 1.739 HD3 :: 1.692 HE2 :: 2.906 HE3 :: 2.906 HZ1 :: 8.017(U) HZ2 :: 8.017(U) HZ3 :: 8.017(U) 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 :: 117.938 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 R 0.22 H 0.2 S 0.15 L 0.11 I 0.03 V 0.02 HN Overlap>> 1.L33 1.L33 C Shift Assignments>> CA :: 57.438 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 :: 7.993 HA :: 4.109 HB2 :: 1.873 HB3 :: 1.759 HD11 :: 0.973 HD12 :: 0.973 HD13 :: 0.973 HD21 :: 0.973 HD22 :: 0.973 HD23 :: 0.973 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 :: 118.108 Ave N Shift Values>> N :: 121.86(3.9) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 K 0.23 H 0.23 L 0.14 S 0.08 I 0.01 A 0.01 V 0.01 C Shift Assignments>> CA :: 56.756 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 :: 8.113 HA :: 4.087 HB2 :: 1.910 HB3 :: 1.808 HD11 :: 0.980 HD12 :: 0.980 HD13 :: 0.980 HD21 :: 0.957 HD22 :: 0.957 HD23 :: 0.957 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 :: 119.346 Ave N Shift Values>> N :: 121.86(3.9) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 K 0.23 H 0.23 L 0.14 S 0.08 I 0.01 A 0.01 V 0.01 C Shift Assignments>> CA :: 56.767 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 :: 8.244 HA :: 4.083 HB2 :: 1.920 HB3 :: 1.920 HG :: 1.660 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 HD21 :: 0.935 HD22 :: 0.935 HD23 :: 0.935 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 :: 118.096 Ave N Shift Values>> N :: 121.86(3.9) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 H 0.23 K 0.23 L 0.15 S 0.08 A 0.01 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.725 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 :: 8.069 HA :: 4.097 HB2 :: 1.863 HB3 :: 1.863 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 HD21 :: 0.965 HD22 :: 0.965 HD23 :: 0.965 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 :: 118.868 Ave N Shift Values>> N :: 121.86(3.9) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 K 0.23 H 0.23 L 0.15 S 0.08 I 0.01 A 0.01 V 0.01 C Shift Assignments>> CA :: 56.746 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 :: 8.237 HA :: 4.088 HB2 :: 1.861 HB3 :: 1.861 HD11 :: 0.969 HD12 :: 0.969 HD13 :: 0.969 HD21 :: 0.969 HD22 :: 0.969 HD23 :: 0.969 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 :: 119.319 Ave N Shift Values>> N :: 121.86(3.9) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 H 0.24 K 0.22 L 0.15 S 0.08 A 0.01 I 0.01 V 0.01 HN Overlap>> 1.L29 1.L29 C Shift Assignments>> CA :: 56.669 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 :: 8.311 HA :: 4.058 HB2 :: 1.927 HB3 :: 1.927 HG :: 1.738 HD11 :: 0.936 HD12 :: 0.936 HD13 :: 0.936 HD21 :: 0.936 HD22 :: 0.936 HD23 :: 0.936 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 :: 117.999 Ave N Shift Values>> N :: 121.86(3.9) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 K 0.23 H 0.23 L 0.14 S 0.08 I 0.01 A 0.01 V 0.01 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> CA :: 56.758 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 :: 8.184 HA :: 4.082 HB2 :: 1.879 HB3 :: 1.833 HD11 :: 0.947 HD12 :: 0.947 HD13 :: 0.947 HD21 :: 0.947 HD22 :: 0.947 HD23 :: 0.947 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 :: 118.945 Ave N Shift Values>> N :: 121.86(3.9) 1.L20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.L19 1.L19 H Shift Assignments>> H :: 8.265 HA :: 4.060 HB2 :: 1.932 HB3 :: 1.864 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.945 HD22 :: 0.945 HD23 :: 0.945 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 :: 118.874 Ave N Shift Values>> N :: 121.86(3.9) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.35 P 0.25 V 0.23 I 0.14 C Shift Assignments>> CA :: 64.079 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 :: 8.314 HA :: 3.665 HB :: 2.103 HG12 :: 1.169 HG13 :: 1.169 HG21 :: 0.972 HG22 :: 0.972 HG23 :: 0.972 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 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 :: 118.507 Ave N Shift Values>> N :: 121.46(4.28) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.24 R 0.24 K 0.22 L 0.16 S 0.07 A 0.01 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.627 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 :: 8.283 HA :: 4.060 HB2 :: 1.939 HB3 :: 1.832 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.945 HD22 :: 0.945 HD23 :: 0.945 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 :: 119.571 Ave N Shift Values>> N :: 121.86(3.9) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 H 0.23 K 0.23 L 0.15 S 0.08 A 0.01 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.736 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 :: 8.440 HA :: 4.062 HB2 :: 2.066 HB3 :: 1.979 HG :: 1.605 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.921 HD22 :: 0.921 HD23 :: 0.921 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 :: 118.415 Ave N Shift Values>> N :: 121.86(3.9) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 H 0.23 K 0.23 L 0.15 S 0.08 A 0.01 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.699 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 :: 8.361 HA :: 4.130 HB2 :: 2.112 HB3 :: 1.969 HG :: 1.623 HD11 :: 0.925 HD12 :: 0.925 HD13 :: 0.925 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 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 :: 120.873 Ave N Shift Values>> N :: 121.86(3.9) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.35 P 0.25 V 0.24 I 0.14 C Shift Assignments>> CA :: 64.099 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 :: 8.420 HA :: 3.686 HB :: 2.080 HG12 :: 1.107 HG13 :: 1.107 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 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 :: 120.296 Ave N Shift Values>> N :: 121.46(4.28) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 K 0.23 H 0.23 L 0.14 S 0.08 I 0.01 A 0.01 V 0.01 C Shift Assignments>> CA :: 56.762 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 :: 8.642 HA :: 4.073 HB2 :: 1.866 HB3 :: 1.720 HD11 :: 0.940 HD12 :: 0.940 HD13 :: 0.940 HD21 :: 0.940 HD22 :: 0.940 HD23 :: 0.940 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 :: 119.444 Ave N Shift Values>> N :: 121.86(3.9) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.07 C Shift Assignments>> CA :: 45.927 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.564 HA2 :: 3.831 HA3 :: 3.750 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.110 Ave N Shift Values>> N :: 109.67(3.87) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.22 H 0.13 R 0.11 K 0.08 S 0.01 C Shift Assignments>> CA :: 53.821 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.060 HA :: 4.080 HB1 :: 1.570 HB2 :: 1.570 HB3 :: 1.570 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.743 Ave N Shift Values>> N :: 123.23(3.54) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.25 R 0.22 K 0.2 L 0.19 S 0.06 A 0.02 I 0.01 HN Overlap>> 1.L18 1.L18 C Shift Assignments>> CA :: 56.328 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 :: 4.173 HB2 :: 2.064 HB3 :: 2.064 HG :: 1.608 HD11 :: 0.930 HD12 :: 0.930 HD13 :: 0.930 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 117.918 Ave N Shift Values>> N :: 121.86(3.9) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 H 0.22 R 0.2 K 0.18 S 0.05 A 0.04 C Shift Assignments>> CA :: 55.882 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 :: 8.324 HA :: 4.143 HB2 :: 1.990 HB3 :: 1.990 HG :: 1.598 HD11 :: 0.927 HD12 :: 0.927 HD13 :: 0.927 HD21 :: 0.927 HD22 :: 0.927 HD23 :: 0.927 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 :: 118.705 Ave N Shift Values>> N :: 121.86(3.9) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 L 0.19 H 0.11 R 0.09 K 0.07 C Shift Assignments>> CA :: 53.532 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 :: 7.672 HA :: 4.352 HB2 :: 1.906 HB3 :: 1.675 HD11 :: 0.902 HD12 :: 0.902 HD13 :: 0.902 HD21 :: 0.902 HD22 :: 0.902 HD23 :: 0.902 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 :: 115.553 Ave N Shift Values>> N :: 121.86(3.9) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.36 G 0.25 K 0.01 C Shift Assignments>> CA :: 43.905 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.929 HA2 :: 4.039 HA3 :: 3.867 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.405 Ave N Shift Values>> N :: 109.67(3.87) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 P 0.21 L 0.08 H 0.04 R 0.03 K 0.02 HN Overlap>> 1.H7 1.H7 1.L13 1.L13 C Shift Assignments>> CA :: 51.690 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 :: 7.973 HA :: 4.505 HB2 :: 1.696 HB3 :: 1.586 HD11 :: 0.937 HD12 :: 0.937 HD13 :: 0.937 HD21 :: 0.892 HD22 :: 0.892 HD23 :: 0.892 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 :: 118.182 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 30 #Clerical: 2 #Suspicious: 0 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 31 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 33 #Suspicious: 0 C Shift Results: #Consistent: 41 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 289 #Duplicate: 0 #Unknown: 6 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 30 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.K9 HZ1 = 7.992(U) 1.K9 HZ2 = 7.992(U) 1.K9 HZ3 = 7.992(U) 1.R10 NE = 116.567(A), Expected = 84.63, Std = 1.6800, ChiSquare = 1.4063e-80 1.K12 HZ1 = 8.017(U) 1.K12 HZ2 = 8.017(U) 1.K12 HZ3 = 8.017(U)