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 :: 61.2000 CB :: 69.3000 CG2 :: 21.8000 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 :: 3.9240 HB :: 4.1550 HG21 :: 1.2790 HG22 :: 1.2790 HG23 :: 1.2790 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.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 C 0.31 M 0.25 C Shift Assignments>> CA :: 54.9200 CB :: 30.1500 CG :: 33.3400 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 :: 8.6120 HA :: 4.6190 HB2 :: 1.9980 HB3 :: 1.8590 HG2 :: 2.3050 HG3 :: 2.5220 HE21 :: 8.1710 HE22 :: 7.0270 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 :: 112.5900 NE2 :: 113.8100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 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 :: 56.3100 CB :: 70.1200(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7890 HA :: 4.5850 HB2 :: 4.0050 HB3 :: 3.8150 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 :: 119.5700 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 0.57 C 0.42 C Shift Assignments>> CA :: 56.3500 CB :: 29.3700 CD2 :: 119.9700 CE1 :: 136.7700 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 :: 8.7780 HA :: 4.4450 HB2 :: 3.2240 HB3 :: 3.2240 HD2 :: 7.2440 HE1 :: 8.5760 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 :: 120.2300 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.27 C 0.01 C Shift Assignments>> CA :: 53.5100 CB :: 18.3700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8720 HA :: 4.1140 HB1 :: 1.4260 HB2 :: 1.4260 HB3 :: 1.4260 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.7900 Ave N Shift Values>> N :: 123.23(3.54) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.11 C 0.03 C Shift Assignments>> CA :: 45.2300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6590 HA2 :: 4.0720 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 :: 109.6500 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>> C 0.48 Q 0.46 M 0.03 C Shift Assignments>> CA :: 56.4400 CB :: 27.5300 CG :: 33.3600 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 :: 8.3680 HA :: 4.2680 HB2 :: 2.0630 HB3 :: 1.7080 HG2 :: 1.0630(S) HG3 :: 2.2890 HE21 :: 7.1080 HE22 :: 6.9450 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 :: 122.7100 NE2 :: 109.2200 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 0.74 L 0.15 C 0.09 C Shift Assignments>> CA :: 55.3730 CB :: 46.6800 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9260 HA :: 5.1560 HB2 :: 3.4130 HB3 :: 2.9200 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 :: 115.7700 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 :: 6.6960 HA2 :: 4.2450 HA3 :: 3.8340 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2000 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 0.67 G 0.13 C 0.08 Y 0.07 I 0.02 C Shift Assignments>> CA :: 43.2600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6340 HA2 :: 4.3300 HA3 :: 3.8380 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.2300 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 0.85 C 0.14 C Shift Assignments>> CA :: 64.4200 CB :: 38.3100 CG1 :: 28.8000 CG2 :: 17.1300 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 :: 8.4240 HA :: 3.8160 HB :: 1.3200 HG12 :: 0.9980 HG13 :: 1.5360 HG21 :: 0.9160 HG22 :: 0.9160 HG23 :: 0.9160 HD11 :: 0.5200 HD12 :: 0.5200 HD13 :: 0.5200 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 :: 124.8500 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 :: 9.0870 HA2 :: 3.7390 HA3 :: 4.3020 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.0920 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 :: 133.2000 CD2 :: 133.2000 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 :: 7.9290 HA :: 4.6330 HB2 :: 2.8030 HB3 :: 2.9120 HD1 :: 6.9140 HD2 :: 6.9140 HE1 :: 6.4700 HE2 :: 6.4700 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 :: 121.8600 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 :: 8.4290 HA :: 4.5220 HB2 :: 3.7930 HB3 :: 3.6230 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 :: 123.7190 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 :: 5.1330(S) HA2 :: 4.0540 HA3 :: 3.6030 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7890 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 :: 27.6200 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 :: 4.5200 HB2 :: 1.9200 HB3 :: 2.3720 HG2 :: 2.0250 HG3 :: 2.1020 HD2 :: 3.5300 HD3 :: 3.6740 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 0.87 C 0.12 C Shift Assignments>> CA :: 61.1000 CB :: 70.0000 CG2 :: 21.6980 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 :: 8.5800 HA :: 4.7170 HB :: 4.6300 HG21 :: 1.3070 HG22 :: 1.3070 HG23 :: 1.3070 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 :: 111.7400 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 0.64 C 0.35 C Shift Assignments>> CA :: 61.9600 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 :: 7.0840 HA :: 4.1320 HB :: 2.0160 HG11 :: 0.9620 HG12 :: 0.9620 HG13 :: 0.9620 HG21 :: 0.9620 HG22 :: 0.9620 HG23 :: 0.9620 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 :: 119.8100 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>> N 0.5 L 0.17 Y 0.16 C 0.13 I 0.01 C Shift Assignments>> CA :: 54.0900 CB :: 39.6200 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.6230 HA :: 4.7610 HB2 :: 2.2850 HB3 :: 3.6320 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 :: 125.3600 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 :: 8.2240 HA :: 4.1730 HB1 :: 1.3840 HB2 :: 1.3840 HB3 :: 1.3840 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.5900 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 :: 8.5420 HA :: 4.2170 HB2 :: 3.8810 HB3 :: 3.8810 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 :: 115.4000 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 :: 8.9130 HA2 :: 3.6770 HA3 :: 4.3850 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.0400 Ave N Shift Values>> N :: 109.67(3.87) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 T 0.39 C Shift Assignments>> CA :: 59.9000 CB :: 72.7700 CG2 :: 22.6500 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 :: 8.1630 HA :: 4.8420 HB :: 3.9460 HG21 :: 0.9500 HG22 :: 0.9500 HG23 :: 0.9500 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 :: 110.6400 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 0.67 C 0.32 C Shift Assignments>> CA :: 60.5000 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 :: 9.3210 HA :: 4.5320 HB :: 4.0360 HG21 :: 1.1470 HG22 :: 1.1470 HG23 :: 1.1470 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 :: 112.2600 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 0.38 C 0.23 N 0.18 L 0.11 I 0.06 M 0.01 C Shift Assignments>> CA :: 56.1800 CB :: 39.1000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8440 HA :: 4.5530 HB2 :: 3.1480 HB3 :: 2.9200 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 :: 122.3100 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 :: 9.0530 HA :: 4.6110 HB2 :: 1.9290 HB3 :: 2.0550 HG2 :: 2.2640 HG3 :: 2.4250 HE21 :: 7.0620 HE22 :: 6.7560 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 :: 133.4000(S) NE2 :: 112.6100 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 :: 20.9700 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 :: 8.6420 HA :: 4.0500 HB :: 1.9200 HG11 :: 0.6740 HG12 :: 0.6740 HG13 :: 0.6740 HG21 :: 0.9090 HG22 :: 0.9090 HG23 :: 0.9090 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 :: 125.6100 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 0.47 G 0.02 C Shift Assignments>> CA :: 56.7000 CB :: 42.5300 CG :: 28.4800 CD1 :: 25.0100 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 :: 8.6250 HA :: 4.6750 HB2 :: 1.8680 HB3 :: 1.7900 HG :: 1.7420 HD11 :: 0.9520 HD12 :: 0.9520 HD13 :: 0.9520 HD21 :: 0.8630 HD22 :: 0.8630 HD23 :: 0.8630 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 :: 130.3000 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 0.69 C 0.17 Y 0.07 M 0.04 L 0.01 C Shift Assignments>> CA :: 52.8000 CB :: 37.5400 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 :: 8.6040 HA :: 4.8860 HB2 :: 3.1710 HB3 :: 3.1710 HD21 :: 7.7670 HD22 :: 7.0210 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 :: 115.5000 ND2 :: 115.4400 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 0.76 C 0.23 C Shift Assignments>> CA :: 65.9000 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 :: 4.1920 HB2 :: 1.2010 HB3 :: 2.2460 HG2 :: 2.0850 HG3 :: 1.8940 HD2 :: 3.7070 HD3 :: 3.9090 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 :: 8.6190 HA :: 4.4230 HB2 :: 2.9200 HB3 :: 3.3710 HD1 :: 7.1390 HD2 :: 7.1390 HE1 :: 6.8200 HE2 :: 6.8200 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 :: 112.3700 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 0.05 C Shift Assignments>> CA :: 60.8400 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 :: 7.9270 HA :: 4.6230 HB2 :: 2.8300 HB3 :: 2.8300 HD1 :: 6.9580 HD2 :: 6.9580 HE1 :: 6.5850 HE2 :: 6.5850 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 :: 124.4500 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 :: 56.1760 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 :: 6.7810 HA :: 5.1890 HB2 :: 2.8550(S) HB3 :: 3.5530 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 :: 124.3400 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 0.49 M 0.46 Q 0.03 C Shift Assignments>> CA :: 54.1900 CB :: 34.1300 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 :: 9.0760 HA :: 4.8250 HB2 :: 1.7080 HB3 :: 1.7080 HG2 :: 2.1360 HG3 :: 2.1360 HE21 :: 7.3940 HE22 :: 6.8140 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 :: 126.1200 NE2 :: 110.0900 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 0.58 C 0.17 Y 0.14 L 0.04 M 0.02 I 0.01 C Shift Assignments>> CA :: 54.0500 CB :: 38.2000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5380 HA :: 5.0200 HB2 :: 2.8400 HB3 :: 3.0740 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 :: 124.1500 Ave N Shift Values>> N :: 120.17(4.64) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 L 0.18 G 0.15 A 0.01 C Shift Assignments>> CA :: 56.3000 CB :: 47.3400 CG :: 27.1900 CD1 :: 25.7300 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 :: 9.0530 HA :: 4.4970 HB2 :: 1.5580 HB3 :: 1.5580 HG :: 1.3670 HD11 :: 0.8450 HD12 :: 0.8450 HD13 :: 0.8450 HD21 :: 0.8450 HD22 :: 0.8450 HD23 :: 0.8450 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 :: 134.4500 Ave N Shift Values>> N :: 121.86(3.9) 2.MAN1 Overall Status: Residue type MAN not supported. ########################################################################### Overall Results: #Consistent: 31 #Clerical: 0 #Suspicious: 4 #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: 104 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 213 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 37 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.S3 Typing: Mistyped 1.S3 CB = 70.1200(S), Expected = 63.80, Std = 1.4800, ChiSquare = 1.9524e-05 1.Q7 HG2 = 1.0630(S), Expected = 2.32, Std = 0.2700, ChiSquare = 3.2311e-06 1.G15 H = 5.1330(S), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7227e-07 1.Q26 N = 133.4000(S), Expected = 119.89, Std = 3.6000, ChiSquare = 1.7489e-04 1.S33 HB2 = 2.8550(S), Expected = 3.88, Std = 0.2500, ChiSquare = 4.1315e-05