Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.L1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.99 C Shift Assignments>> CA :: 55.5376 CD1 :: 24.7350 CD2 :: 24.2936 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>> HA :: 4.0677 HD11 :: 0.9895 HD12 :: 0.9895 HD13 :: 0.9895 HD21 :: 0.9562 HD22 :: 0.9562 HD23 :: 0.9562 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) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.99 C Shift Assignments>> CD1 :: 25.2261 CD2 :: 24.2899 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 :: 9.4206 HA :: 4.1527 HD11 :: 0.9178 HD12 :: 0.9178 HD13 :: 0.9178 HD21 :: 0.8654 HD22 :: 0.8654 HD23 :: 0.8654 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) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.94 L 0.05 C Shift Assignments>> CA :: 47.4587 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0854 HA2 :: 4.0510 HA3 :: 3.8390 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.5918 Ave N Shift Values>> N :: 109.67(3.87) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 L 0.24 K 0.2 D 0.2 I 0.03 R 0.01 C Shift Assignments>> CA :: 56.8875 CB :: 41.0141 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 :: 8.0891 HA :: 4.5385 HB2 :: 2.7210 HB3 :: 2.7210 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 :: 121.2750 Ave N Shift Values>> N :: 120.65(3.86) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 61.5221 CB :: 39.1828 CD1 :: 131.5080 CD2 :: 131.5080 CE1 :: 131.4320 CE2 :: 131.4320 CZ :: 129.4850 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 :: 8.1883 HA :: 4.1958 HB2 :: 3.3058 HB3 :: 2.9783 HD1 :: 6.9450 HD2 :: 6.9450 HE1 :: 7.1280 HE2 :: 7.1280 HZ :: 7.1030 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 :: 120.4068 Ave N Shift Values>> N :: 120.45(4.18) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 61.0587 CB :: 39.1982 CD1 :: 131.6894 CD2 :: 131.6894 CE1 :: 131.0182 CE2 :: 131.0182 CZ :: 129.4554 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 :: 8.6227 HA :: 4.1010 HB2 :: 3.2445 HB3 :: 3.1670 HD1 :: 7.2700 HD2 :: 7.2700 HE1 :: 7.2800 HE2 :: 7.2800 HZ :: 7.1920 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 :: 119.7527 Ave N Shift Values>> N :: 120.45(4.18) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.23 R 0.19 V 0.19 I 0.16 Q 0.11 K 0.08 C Shift Assignments>> CA :: 60.2849 CB :: 30.3476 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 :: 8.2087 HA :: 3.8340 HB2 :: 2.0170 HB3 :: 1.9260 HG2 :: 1.8340 HG3 :: 1.5950 HD2 :: 3.2920 HD3 :: 3.2330 HE :: 7.5365 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 :: 119.2181 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.K8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.1943 HA :: 4.1180 HB2 :: 1.8360 HB3 :: 1.8360 HG2 :: 1.5276 HG3 :: 1.4705 HD2 :: 1.6701 HD3 :: 1.6261 HE2 :: 2.9204 HE3 :: 2.9204 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 :: 118.0919 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 S 0.29 I 0.27 F 0.02 C Shift Assignments>> CB :: 63.0695 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9301 HA :: 4.1613 HB2 :: 3.6703 HB3 :: 3.5328 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 :: 115.7454 Ave N Shift Values>> N :: 116.28(3.52) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 V 0.2 S 0.16 F 0.14 E 0.05 K 0.04 R 0.04 Q 0.02 C Shift Assignments>> CA :: 60.5066 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 :: 7.9939 HA :: 3.6908 HB2 :: 1.7663 HB3 :: 1.6959 HG2 :: 1.3114 HG3 :: 1.3114 HD2 :: 1.6053 HD3 :: 1.6053 HE2 :: 2.8130 HE3 :: 2.8130 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 :: 121.9657 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.29 K 0.11 Q 0.05 C Shift Assignments>> CA :: 59.2531 CB :: 29.1671 CG :: 36.3419 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 :: 8.0011 HA :: 4.0392 HB2 :: 2.0819 HB3 :: 2.0819 HG2 :: 2.3711 HG3 :: 2.2106 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 :: 118.7962 Ave N Shift Values>> N :: 120.67(3.48) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.24 F 0.19 E 0.12 K 0.1 R 0.09 Q 0.07 I 0.07 V 0.04 L 0.03 D 0.01 C Shift Assignments>> CA :: 58.7765 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 :: 7.8734 HA :: 4.1135 HD2 :: 1.7262 HD3 :: 1.7262 HE2 :: 2.8820 HE3 :: 2.8820 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 :: 119.5131 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.0969 CB :: 38.2487 CG2 :: 17.7850 CD1 :: 13.6885 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 :: 8.3312 HA :: 3.6817 HB :: 1.8468 HG13 :: 1.0197 HG21 :: 0.8592 HG22 :: 0.8592 HG23 :: 0.8592 HD11 :: 0.7916 HD12 :: 0.7916 HD13 :: 0.7916 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 :: 118.3381 Ave N Shift Values>> N :: 121.46(4.28) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.94 L 0.04 C Shift Assignments>> CA :: 47.6147 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3931 HA2 :: 4.0160 HA3 :: 3.7405 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.7881 Ave N Shift Values>> N :: 109.67(3.87) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.22 F 0.18 I 0.16 V 0.11 E 0.08 K 0.07 R 0.07 Q 0.05 L 0.01 C Shift Assignments>> CA :: 59.6878 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 :: 7.8926 HA :: 4.0775 HG2 :: 1.3033 HG3 :: 1.3033 HD2 :: 1.5932 HD3 :: 1.5932 HE2 :: 2.7785 HE3 :: 2.7785 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 :: 120.5390 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 E 0.3 K 0.3 I 0.04 R 0.02 C Shift Assignments>> CA :: 57.8684 CB :: 28.9907 CG :: 34.8589 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 :: 8.0168 HA :: 4.4138 HB2 :: 2.0973 HB3 :: 2.0261 HG2 :: 2.4677 HG3 :: 2.2264 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 :: 118.9794 Ave N Shift Values>> N :: 120.67(3.48) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 61.5590 CB :: 39.1964 CD1 :: 132.3999 CD2 :: 132.3999 CE1 :: 131.0146 CE2 :: 131.0146 CZ :: 129.3836 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 :: 8.6395 HA :: 4.1660 HB2 :: 3.2428 HB3 :: 3.1547 HD1 :: 7.1380 HD2 :: 7.1380 HE1 :: 7.1850 HE2 :: 7.1850 HZ :: 7.1330 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 :: 119.5658 Ave N Shift Values>> N :: 120.45(4.18) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.23 F 0.19 I 0.11 E 0.1 K 0.08 R 0.08 V 0.07 Q 0.06 L 0.02 C Shift Assignments>> CA :: 59.2382 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 :: 7.9205 HA :: 3.8714 HB2 :: 1.8929 HB3 :: 1.8929 HG2 :: 1.4703 HG3 :: 1.4703 HD2 :: 1.6974 HD3 :: 1.6974 HE2 :: 2.9496 HE3 :: 2.9496 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 :: 116.8608 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.24 F 0.19 E 0.12 K 0.1 R 0.09 Q 0.07 I 0.06 V 0.04 L 0.03 D 0.01 C Shift Assignments>> CA :: 58.7283 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 :: 7.6175 HA :: 4.0680 HB2 :: 1.7130 HB3 :: 1.7130 HG2 :: 1.5670 HG3 :: 1.5670 HD2 :: 3.3050 HD3 :: 3.1520 HE :: 7.8124 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 :: 117.5270 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.I20 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 G 0.04 C Shift Assignments>> CA :: 51.0749(A) CD1 :: 13.7438 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 :: 7.8473 HA :: 3.8317 HB :: 1.8595 HG13 :: 1.2057 HG21 :: 0.8640 HG22 :: 0.8640 HG23 :: 0.8640 HD11 :: 0.8390 HD12 :: 0.8390 HD13 :: 0.8390 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 :: 117.2802 Ave N Shift Values>> N :: 121.46(4.28) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.8831 CB :: 31.7946 CG1 :: 21.0827 CG2 :: 21.0827 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 :: 7.6387 HA :: 3.9990 HB :: 1.9615 HG11 :: 0.7040 HG12 :: 0.7040 HG13 :: 0.7040 HG21 :: 0.7040 HG22 :: 0.7040 HG23 :: 0.7040 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 :: 114.4173 Ave N Shift Values>> N :: 121.14(4.54) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.37 E 0.14 R 0.05 I 0.01 C Shift Assignments>> CA :: 56.2345 CB :: 28.9436 CG :: 34.1685 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 :: 7.6635 HA :: 4.2246 HB2 :: 2.1052 HB3 :: 2.0556 HG2 :: 2.3303 HG3 :: 2.3303 HE21 :: 6.8230 HE22 :: 7.6270 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 :: 120.3855 NE2 :: 112.2475 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 K 0.25 E 0.23 Q 0.14 V 0.05 C Shift Assignments>> CA :: 57.4412 CB :: 31.5083 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 :: 7.7491 HA :: 4.1255 HB2 :: 1.8650 HB3 :: 1.6890 HG2 :: 1.5990 HG3 :: 1.5990 HD2 :: 3.1785 HD3 :: 3.1785 HE :: 7.3681 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 :: 126.5812 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 22 #Clerical: 0 #Suspicious: 0 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 22 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 23 #Suspicious: 0 C Shift Results: #Consistent: 58 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 176 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 22 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I20 CA = 51.0749(A), Expected = 61.61, Std = 2.6800, ChiSquare = 8.4591e-05