Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.L1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.32 V 0.25 P 0.22 T 0.19 C Shift Assignments>> CB :: 64.6000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.3070 HA :: 4.5970 HB2 :: 4.3010 HB3 :: 4.0550 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 :: 121.5800 Ave N Shift Values>> N :: 116.28(3.52) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.13 F 0.13 R 0.1 H 0.09 Q 0.09 S 0.09 M 0.07 L 0.05 D 0.02 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.6400 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 :: 8.0740 HA :: 4.5580 HB2 :: 2.835 HB3 :: 2.754 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 :: 121.1040 Ave N Shift Values>> N :: 120.65(3.86) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.52 P 0.22 R 0.19 M 0.03 E 0.02 C Shift Assignments>> CB :: 28.1200 CG :: 33.2720 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 :: 8.6520 HA :: 4.1420 HB2 :: 2.0520 HB3 :: 2.0320 HG2 :: 2.4540 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 :: 119.8900 Ave N Shift Values>> N :: 120.67(3.48) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.15 M 0.13 H 0.11 Q 0.1 R 0.1 D 0.09 W 0.07 E 0.06 F 0.05 N 0.04 A 0.03 S 0.02 C Shift Assignments>> C :: 179.7560 CA :: 55.6860 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 :: 9.1190 HA :: 4.4690 HB2 :: 2.758 HB3 :: 2.758 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 :: 122.3110 Ave N Shift Values>> N :: 120.65(3.86) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.96 L 0.02 C Shift Assignments>> CA :: 61.4620 CB :: 39.7600 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 :: 8.7160 HA :: 3.9020 HB2 :: 3.2940 HB3 :: 2.9960 HD1 :: 7.1650 HE1 :: 7.2450 HZ :: 7.1350 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 :: 121.4090 Ave N Shift Values>> N :: 120.45(4.18) 1.R7 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> S 0.2 F 0.16 W 0.14 E 0.1 R 0.08 H 0.06 Q 0.06 M 0.04 V 0.04 T 0.03 L 0.02 C Shift Assignments>> C :: 182.0030 CA :: 58.7600 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 :: 8.3170 HA :: 3.9360 HB2 :: 2.1160 HB3 :: 1.9990 HG2 :: 1.9080 HG3 :: 1.7080 HD2 :: 3.2910 HD3 :: 3.2470 HE :: 7.5260 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 :: 119.0710 NE :: 118.6700(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.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.4 C Shift Assignments>> CA :: 54.6650 CB :: 18.6300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5950 HA :: 4.1320 HB1 :: 1.4960 HB2 :: 1.4960 HB3 :: 1.4960 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.6840 Ave N Shift Values>> N :: 123.23(3.54) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 T 0.38 C Shift Assignments>> CA :: 64.8700 CG2 :: 20.6100 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 :: 8.1380 HA :: 3.6640 HB :: 1.6960 HG11 :: 0.8810 HG12 :: 0.8810 HG13 :: 0.8810 HG21 :: 0.3660 HG22 :: 0.3660 HG23 :: 0.3660 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.5230 Ave N Shift Values>> N :: 121.14(4.54) 1.PHF10 Overall Status: Residue type PHF not supported. 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.06 C Shift Assignments>> CA :: 46.5500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7630 HA2 :: 3.9910 HA3 :: 3.9550 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.4590 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 0.61 A 0.38 C Shift Assignments>> CA :: 53.8540 CB :: 34.7230 CE :: 16.6500 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 :: 7.6520 HA :: 4.7460 HB2 :: 2.3240 HB3 :: 2.1180 HG2 :: 2.7900 HG3 :: 2.4000 HE1 :: 2.1560 HE2 :: 2.1560 HE3 :: 2.1560 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 :: 113.7970 Ave N Shift Values>> N :: 120.09(3.57) 1.T13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 T 0.19 C Shift Assignments>> CA :: 70.8700(S) 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 :: 8.2830 HA :: 4.6640 HB :: 4.4390 HG21 :: 1.3370 HG22 :: 1.3370 HG23 :: 1.3370 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 :: 107.9930 Ave N Shift Values>> N :: 115.42(4.75) 1.R14 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.94 P 0.02 L 0.01 C Shift Assignments>> CA :: 59.5300 CB :: 29.5800 CG :: 26.6400 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 :: 8.6940 HA :: 3.1370 HB2 :: 1.3670 HB3 :: 1.1280 HG2 :: 0.9040 HG3 :: 0.7630 HD2 :: 2.8370 HD3 :: 2.7910 HE :: 7.1050 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 :: 122.3380 NE :: 118.6700(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.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.9080 CA :: 61.0380 CB :: 62.4500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2080 HA :: 4.0480 HB2 :: 3.7710 HB3 :: 3.7370 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 :: 113.4480 Ave N Shift Values>> N :: 116.28(3.52) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.44 C Shift Assignments>> C :: 183.5770 CA :: 54.8960 CB :: 18.6300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6910 HA :: 4.0500 HB1 :: 1.4460 HB2 :: 1.4460 HB3 :: 1.4460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0430 Ave N Shift Values>> N :: 123.23(3.54) 1.F17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.96 L 0.02 C Shift Assignments>> C :: 179.5280 CA :: 61.3210 CB :: 39.8600 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 :: 8.2050 HA :: 4.1140 HB2 :: 3.0680 HB3 :: 3.0370 HD1 :: 6.6420 HE1 :: 5.8430(S) 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 :: 120.1470 Ave N Shift Values>> N :: 120.45(4.18) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.29 C Shift Assignments>> CA :: 53.6330 CB :: 18.3600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9830 HA :: 3.8820 HB1 :: 1.4100 HB2 :: 1.4100 HB3 :: 1.4100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.3780 Ave N Shift Values>> N :: 123.23(3.54) 1.N19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 178.5760 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 :: 7.1620 HA :: 4.6330 HB2 :: 2.8460 HB3 :: 2.6260 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 :: 113.4050 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.44 L 0.28 N 0.16 F 0.07 R 0.03 C Shift Assignments>> CA :: 53.0440 CB :: 41.5000 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 :: 7.3430 HA :: 4.3260 HB2 :: 1.6080 HG :: 0.8330 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 HD21 :: 0.581 HD22 :: 0.581 HD23 :: 0.581 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 :: 121.9710 Ave N Shift Values>> N :: 121.86(3.9) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 180.6470 CA :: 62.4110 CB :: 32.4800 CD :: 49.9440 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 :: 4.3600 HB2 :: 2.3680 HB3 :: 1.1450 HG2 :: 2.1000 HG3 :: 1.6200 HD2 :: 3.8030 HD3 :: 3.0990 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.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 G 0.07 C Shift Assignments>> CA :: 58.7470 CB :: 42.6800 CG :: 27.0550 CD2 :: 22.7400 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 :: 8.8270 HA :: 3.8010 HB2 :: 1.7230 HD11 :: 0.9440 HD12 :: 0.9440 HD13 :: 0.9440 HD21 :: 0.9180 HD22 :: 0.9180 HD23 :: 0.9180 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 :: 125.4970 Ave N Shift Values>> N :: 121.86(3.9) 1.W23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.96 W 0.01 C Shift Assignments>> CA :: 63.8900 CB :: 27.0000 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.0050 HA :: 4.4220 HB2 :: 3.4920 HB3 :: 3.2170 HD1 :: 7.5480 HE1 :: 10.4780 HE3 :: 7.380 HZ2 :: 7.510 HZ3 :: 7.090 HH2 :: 7.220 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 :: 114.9860 NE1 :: 130.4080 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R24 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> R 0.87 G 0.07 L 0.05 C Shift Assignments>> CA :: 58.2600 CB :: 29.4500 CG :: 26.6800 CD :: 42.9400 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 :: 6.1790(S) HA :: 3.6720 HB2 :: 1.3340 HG2 :: 0.8350 HG3 :: 0.6320 HD2 :: 2.9230 HD3 :: 2.8150 HE :: 7.1060 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 :: 122.9090 NE :: 118.6700(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.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.49 E 0.35 R 0.13 C Shift Assignments>> CA :: 59.5700 CB :: 27.7000 CG :: 34.7500 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 :: 7.6280 HA :: 3.5400 HB2 :: 1.8240 HB3 :: 1.7920 HG2 :: 2.0660 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 :: 119.0840 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.62 E 0.17 R 0.16 M 0.03 C Shift Assignments>> CA :: 58.8900 CB :: 28.2800 CG :: 33.9920 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 :: 8.3870 HA :: 4.0450 HB2 :: 2.2570 HB3 :: 2.0740 HG2 :: 2.5450 HG3 :: 2.4130 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 :: 115.7490 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 N 0.2 D 0.15 E 0.09 L 0.07 M 0.03 C Shift Assignments>> C :: 180.5860 CA :: 56.4410 CB :: 38.4500 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 :: 7.8300 HA :: 4.5200 HB2 :: 3.0200 HB3 :: 2.925 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.2300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 L 0.27 R 0.19 D 0.09 C Shift Assignments>> CA :: 58.3890 CB :: 41.9500 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 :: 8.2880 HA :: 4.1160 HB2 :: 2.2120 HB3 :: 1.7020 HG :: 1.8340 HD11 :: 0.9700 HD12 :: 0.9700 HD13 :: 0.9700 HD21 :: 0.9460 HD22 :: 0.9460 HD23 :: 0.9460 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 :: 121.0320 Ave N Shift Values>> N :: 121.86(3.9) 1.R29 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.85 G 0.14 C Shift Assignments>> CA :: 58.9100 CB :: 30.1900 CG :: 27.7600 CD :: 43.4200 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 :: 8.1980 HA :: 4.1160 HB2 :: 2.0080 HG2 :: 1.7850 HG3 :: 1.6480 HD2 :: 3.2350 HE :: 7.2790 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 :: 119.5150 NE :: 118.6700(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.R30 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.83 G 0.14 L 0.01 C Shift Assignments>> CA :: 58.6200 CB :: 29.8200 CD :: 43.3900 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 :: 7.9960 HA :: 4.2370 HB2 :: 1.8960 HB3 :: 1.8840 HG2 :: 1.6090 HG3 :: 1.5040 HD2 :: 3.1340 HD3 :: 3.0900 HE :: 7.3580 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 :: 118.5220 NE :: 118.6700(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.E31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.1220 HA :: 4.1580 HB2 :: 2.1860 HG2 :: 2.6400 HG3 :: 2.5540 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 :: 118.5770 Ave N Shift Values>> N :: 120.67(3.48) 1.R32 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.93 G 0.05 L 0.01 C Shift Assignments>> CA :: 55.5500 CB :: 30.4700 CD :: 42.8300 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 :: 7.6320 HA :: 4.3290 HB2 :: 1.8860 HB3 :: 1.6240 HG2 :: 1.5120 HG3 :: 1.4550 HD2 :: 2.8930 HD3 :: 2.7270 HE :: 6.9530 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 :: 116.3140 NE :: 118.6700(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.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 176.9180 CA :: 46.0240 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8600 HA2 :: 3.9340 HA3 :: 3.8190 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.3690 Ave N Shift Values>> N :: 109.67(3.87) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.14 G 0.02 C Shift Assignments>> CA :: 54.0270 CB :: 42.2800 CD2 :: 25.1400 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 :: 7.7730 HA :: 4.4130 HB2 :: 1.5010 HG :: 1.4060 HD11 :: 0.7460 HD12 :: 0.7460 HD13 :: 0.7460 HD21 :: 0.6540 HD22 :: 0.6540 HD23 :: 0.6540 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 :: 120.4490 Ave N Shift Values>> N :: 121.86(3.9) 1.F35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.7420 HA :: 4.4350 HB2 :: 3.1220 HB3 :: 2.9100 HD1 :: 7.2050 HE1 :: 7.3150 HZ :: 7.2550 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 :: 123.9010 Ave N Shift Values>> N :: 120.45(4.18) ########################################################################### Overall Results: #Consistent: 26 #Clerical: 0 #Suspicious: 2 #Anomalous: 6 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 30 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 34 #Suspicious: 0 C Shift Results: #Consistent: 75 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 217 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 33 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 6 Error Summary: 1.R7 NE = 118.6700(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00 1.T13 CA = 70.8700(S), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3848e-04 1.R14 NE = 118.6700(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00 1.F17 HE1 = 5.8430(S), Expected = 7.08, Std = 0.3100, ChiSquare = 6.5983e-05 1.R24 H = 6.1790(S), Expected = 8.24, Std = 0.6100, ChiSquare = 7.2832e-04 1.R24 NE = 118.6700(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00 1.R29 NE = 118.6700(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00 1.R30 NE = 118.6700(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00 1.R32 NE = 118.6700(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00