Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.T1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.87 C 0.12 C Shift Assignments>> CA :: 60.8900 CB :: 69.6000 CG2 :: 21.4300 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>> HA :: 3.9530 HB :: 4.2630 HG21 :: 1.2110 HG22 :: 1.2110 HG23 :: 1.2110 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) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.04 C 0.02 L 0.01 C Shift Assignments>> CA :: 51.7900 CB :: 19.8500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0090 HA :: 4.6110 HB1 :: 1.2640 HB2 :: 1.2640 HB3 :: 1.2640 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.2050 Ave N Shift Values>> N :: 123.23(3.54) 1.S3 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 56.0620 CB :: 71.2000(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5440 HA :: 4.5470 HB2 :: 4.0530 HB3 :: 3.7730 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 :: 116.4200 Ave N Shift Values>> N :: 116.28(3.52) 1.H4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.54 C 0.45 C Shift Assignments>> CA :: 55.8800 CB :: 28.7400 CD2 :: 117.4500 CE1 :: 136.1790 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 :: 8.9360 HA :: 4.1060 HB2 :: 2.8880 HB3 :: 3.1120 HD2 :: 6.7320 HE1 :: 8.5000 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 :: 120.5700 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.49 C Shift Assignments>> CA :: 61.6680 CB :: 36.1200 CD1 :: 132.5800 CD2 :: 132.5800 CE1 :: 117.5400 CE2 :: 117.5400 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 :: 9.3310 HA :: 4.0930 HB2 :: 3.3000 HB3 :: 3.0910 HD1 :: 6.7700 HD2 :: 6.7700 HE1 :: 6.4420 HE2 :: 6.4420 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 :: 121.2200 Ave N Shift Values>> N :: 120.52(4.2) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.42 C 0.06 Y 0.03 C Shift Assignments>> CA :: 44.1320 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9580 HA2 :: 4.3030 HA3 :: 3.7410 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.5100 Ave N Shift Values>> N :: 109.67(3.87) 1.Q7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.49 C 0.46 M 0.03 C Shift Assignments>> CA :: 56.0900 CB :: 27.5300 CG :: 33.6400 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 :: 8.4160 HA :: 4.3150 HB2 :: 2.0730 HB3 :: 1.6980 HG2 :: 1.0770(S) HG3 :: 2.2580 HE21 :: 7.1780 HE22 :: 6.9700 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 :: 122.0600 NE2 :: 109.2900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.14 C 0.11 C Shift Assignments>> CA :: 55.3730 CB :: 46.8800 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.7400 HA :: 5.1000 HB2 :: 3.3110 HB3 :: 2.8150 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 :: 114.1800 Ave N Shift Values>> N :: 120.17(4.64) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 C 0.02 C Shift Assignments>> CA :: 45.4000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.6140 HA2 :: 4.1970 HA3 :: 3.7630 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.1740 Ave N Shift Values>> N :: 109.67(3.87) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 G 0.19 C 0.08 Y 0.06 I 0.01 C Shift Assignments>> CA :: 43.4700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6020 HA2 :: 4.3040 HA3 :: 3.8230 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.8700 Ave N Shift Values>> N :: 109.67(3.87) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> CA :: 64.2200 CB :: 38.3100 CG1 :: 28.6600 CG2 :: 17.0300 CD1 :: 13.3900 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 :: 8.3700 HA :: 3.8000 HB :: 1.2600 HG12 :: 0.9630 HG13 :: 1.5020 HG21 :: 0.8950 HG22 :: 0.8950 HG23 :: 0.8950 HD11 :: 0.4690 HD12 :: 0.4690 HD13 :: 0.4690 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 :: 124.7000 Ave N Shift Values>> N :: 121.46(4.28) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 C 0.02 C Shift Assignments>> CA :: 45.3400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0780 HA2 :: 3.7400 HA3 :: 4.3120 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.0400 Ave N Shift Values>> N :: 109.67(3.87) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> CA :: 58.1380 CB :: 38.9200 CD1 :: 132.7000 CD2 :: 132.7000 CE1 :: 117.8600 CE2 :: 117.8600 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 :: 7.8930 HA :: 4.6330 HB2 :: 2.8030 HB3 :: 2.9140 HD1 :: 6.8960 HD2 :: 6.8960 HE1 :: 6.4500 HE2 :: 6.4500 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 :: 121.8900 Ave N Shift Values>> N :: 120.52(4.2) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.0000 CB :: 64.0500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4390 HA :: 4.5250 HB2 :: 3.7910 HB3 :: 3.6280 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 :: 123.6200 Ave N Shift Values>> N :: 116.28(3.52) 1.G15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.78 L 0.16 C 0.03 C Shift Assignments>> CA :: 44.9400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.1070(S) HA2 :: 4.0160 HA3 :: 3.6540 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2300 Ave N Shift Values>> N :: 109.67(3.87) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 63.3300 CB :: 32.5800 CG :: 27.4400 CD :: 49.8300 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 :: 4.4860 HB2 :: 1.8100 HB3 :: 2.3250 HG2 :: 2.0240 HG3 :: 2.0240 HD2 :: 3.4630 HD3 :: 3.7910 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.T17 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>> CA :: 61.4360 CB :: 69.9100 CG2 :: 21.5400 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 :: 8.4200 HA :: 4.8410 HB :: 4.5910 HG21 :: 1.3130 HG22 :: 1.3130 HG23 :: 1.3130 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 :: 111.0360 Ave N Shift Values>> N :: 115.42(4.75) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> CA :: 61.8100 CB :: 32.6900 CG1 :: 21.1600 CG2 :: 21.1600 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 :: 7.1680 HA :: 4.1220 HB :: 1.9840 HG11 :: 0.9710 HG12 :: 0.9710 HG13 :: 0.9710 HG21 :: 0.9710 HG22 :: 0.9710 HG23 :: 0.9710 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 :: 121.2930 Ave N Shift Values>> N :: 121.14(4.54) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 Y 0.29 N 0.2 C 0.17 I 0.03 C Shift Assignments>> CA :: 55.5700 CB :: 40.2400 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.6400 HA :: 4.6500 HB2 :: 2.2620 HB3 :: 3.5660 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 :: 125.8900 Ave N Shift Values>> N :: 120.17(4.64) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> CA :: 52.1900 CB :: 19.4400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7260 HA :: 4.0670 HB1 :: 1.3210 HB2 :: 1.3210 HB3 :: 1.3210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5680 Ave N Shift Values>> N :: 123.23(3.54) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.2000 CB :: 62.9500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4650 HA :: 4.1650 HB2 :: 3.8440 HB3 :: 3.8440 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 :: 115.7100 Ave N Shift Values>> N :: 116.28(3.52) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.17 C 0.04 Y 0.01 C Shift Assignments>> CA :: 44.9000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8880 HA2 :: 3.6120 HA3 :: 4.2760 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.7660 Ave N Shift Values>> N :: 109.67(3.87) 1.T23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.61 C 0.38 C Shift Assignments>> CA :: 59.6700 CB :: 72.2400 CG2 :: 21.9900 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 :: 8.0000 HA :: 4.6680 HB :: 3.7390 HG21 :: 0.3700(S) HG22 :: 0.3700(S) HG23 :: 0.3700(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 :: 110.4700 Ave N Shift Values>> N :: 115.42(4.75) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.35 C Shift Assignments>> CA :: 60.2000 CB :: 72.4470 CG2 :: 21.8900 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 :: 9.3000 HA :: 4.4900 HB :: 4.0060 HG21 :: 1.1180 HG22 :: 1.1180 HG23 :: 1.1180 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 :: 112.2000 Ave N Shift Values>> N :: 115.42(4.75) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 C 0.25 N 0.19 L 0.07 I 0.06 M 0.02 C Shift Assignments>> CA :: 56.1800 CB :: 38.6200 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8090 HA :: 4.5350 HB2 :: 3.1550 HB3 :: 2.9060 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 :: 122.2500 Ave N Shift Values>> N :: 120.17(4.64) 1.Q26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> Q 0.41 C 0.3 M 0.27 C Shift Assignments>> CA :: 55.0300 CB :: 30.3300 CG :: 33.6300 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 :: 9.0660 HA :: 4.5930 HB2 :: 1.9420 HB3 :: 2.0590 HG2 :: 2.2600 HG3 :: 2.4250 HE21 :: 7.0140 HE22 :: 6.7210 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 :: 133.6730(S) NE2 :: 112.1800 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> CA :: 63.4500 CB :: 32.7100 CG1 :: 20.7800 CG2 :: 20.9000 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 :: 8.6390 HA :: 4.0470 HB :: 1.9200 HG11 :: 0.6740 HG12 :: 0.6740 HG13 :: 0.6740 HG21 :: 0.9030 HG22 :: 0.9030 HG23 :: 0.9030 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 :: 125.6800 Ave N Shift Values>> N :: 121.14(4.54) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.48 G 0.01 C Shift Assignments>> CA :: 56.7000 CB :: 42.3400 CG :: 28.4800 CD1 :: 25.1800 CD2 :: 23.8000 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 :: 8.6140 HA :: 4.7050 HB2 :: 1.9190 HB3 :: 1.8000 HG :: 1.7960 HD11 :: 1.0230 HD12 :: 1.0230 HD13 :: 1.0230 HD21 :: 0.9170 HD22 :: 0.9170 HD23 :: 0.9170 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 :: 130.4140 Ave N Shift Values>> N :: 121.86(3.9) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 C 0.17 Y 0.07 M 0.03 L 0.01 C Shift Assignments>> CA :: 53.0000 CB :: 37.6000 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 :: 8.6080 HA :: 4.8950 HB2 :: 3.2210 HB3 :: 3.2210 HD21 :: 7.8620 HD22 :: 6.9960 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 :: 115.5700 ND2 :: 115.1600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 65.6800 CB :: 31.9900 CG :: 28.2500 CD :: 51.1780 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 :: 4.1890 HB2 :: 1.2110 HB3 :: 2.2340 HG2 :: 2.0850 HG3 :: 1.8940 HD2 :: 3.6930 HD3 :: 3.9130 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.Y31 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 :: 58.4100 CB :: 39.2500 CD1 :: 133.5300 CD2 :: 133.5300 CE1 :: 118.1800 CE2 :: 118.1800 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 :: 8.6490 HA :: 4.3760 HB2 :: 2.8750 HB3 :: 3.3680 HD1 :: 7.0290 HD2 :: 7.0290 HE1 :: 6.7190 HE2 :: 6.7190 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 :: 112.8300 Ave N Shift Values>> N :: 120.52(4.2) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.21 G 0.06 C Shift Assignments>> CA :: 61.3300 CB :: 42.7100 CD1 :: 132.6800 CD2 :: 132.6800 CE1 :: 117.9100 CE2 :: 117.9100 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 :: 7.8950 HA :: 4.5730 HB2 :: 2.8190 HB3 :: 2.6680 HD1 :: 6.8450 HD2 :: 6.8450 HE1 :: 6.4790 HE2 :: 6.4790 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 :: 124.6300 Ave N Shift Values>> N :: 120.52(4.2) 1.S33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 56.3000 CB :: 65.8800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.6640 HA :: 5.1520 HB2 :: 2.8220(S) HB3 :: 3.5290 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 :: 124.6900 Ave N Shift Values>> N :: 116.28(3.52) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.37 Q 0.02 C Shift Assignments>> CA :: 54.4800 CB :: 34.5200 CG :: 33.9700 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 :: 9.0560 HA :: 4.8660 HB2 :: 1.5870 HB3 :: 1.8960 HG2 :: 2.0610 HG3 :: 2.1660 HE21 :: 7.6550 HE22 :: 6.6630 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 :: 127.4780 NE2 :: 108.6000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.18 Y 0.12 M 0.03 L 0.03 C Shift Assignments>> CA :: 53.7300 CB :: 37.9200 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4600 HA :: 5.0480 HB2 :: 3.0510 HB3 :: 3.1360 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 :: 124.0900 Ave N Shift Values>> N :: 120.17(4.64) 1.L36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.7 L 0.16 G 0.1 A 0.02 C Shift Assignments>> CA :: 55.8740 CB :: 47.7000 CG :: 27.1900 CD1 :: 25.4000 CD2 :: 23.4200 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 :: 8.9800 HA :: 4.5080 HB2 :: 1.5690 HB3 :: 1.5690 HG :: 1.3480 HD11 :: 0.9210 HD12 :: 0.9210 HD13 :: 0.9210 HD21 :: 0.9980 HD22 :: 0.9980 HD23 :: 0.9980 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 :: 134.7600(S) Ave N Shift Values>> N :: 121.86(3.9) 2.MAN1 Overall Status: Residue type MAN not supported. ########################################################################### Overall Results: #Consistent: 29 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 35 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 36 #Suspicious: 0 C Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 210 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 35 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.S3 Typing: Mistyped 1.S3 CB = 71.2000(S), Expected = 63.80, Std = 1.4800, ChiSquare = 5.7330e-07 1.Q7 HG2 = 1.0770(S), Expected = 2.32, Std = 0.2700, ChiSquare = 4.1504e-06 1.G15 H = 5.1070(S), Expected = 8.33, Std = 0.6500, ChiSquare = 7.1054e-07 1.T23 HG21 = 0.3700(S), Expected = 1.14, Std = 0.2300, ChiSquare = 8.1448e-04 1.T23 HG22 = 0.3700(S), Expected = 1.14, Std = 0.2300, ChiSquare = 8.1448e-04 1.T23 HG23 = 0.3700(S), Expected = 1.14, Std = 0.2300, ChiSquare = 8.1448e-04 1.Q26 N = 133.6730(S), Expected = 119.89, Std = 3.6000, ChiSquare = 1.2887e-04 1.S33 HB2 = 2.8220(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.3162e-05 1.L36 N = 134.7600(S), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4068e-04