Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.W1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.23 E 0.22 W 0.21 K 0.21 M 0.06 I 0.02 L 0.01 C Shift Assignments>> CA :: 56.6430 CB :: 29.4970 CE3 :: 120.0580 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>> HA :: 4.2800 HB2 :: 3.3920 HB3 :: 3.3910 HD1 :: 7.2680 HE1 :: 9.7280 HE3 :: 7.5810 HZ2 :: 7.0920 HZ3 :: 7.4540 HH2 :: 7.2050 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>> NE1 :: 127.0430 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.15 F 0.01 C Shift Assignments>> CA :: 45.0280 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5110 HA2 :: 4.0770 HA3 :: 4.0770 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.2290 Ave N Shift Values>> N :: 109.67(3.87) 1.W3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 W 0.23 K 0.16 E 0.14 Q 0.11 V 0.02 M 0.01 P 0.01 L 0.01 C Shift Assignments>> CA :: 59.9170 CB :: 28.7780 CE3 :: 120.0660 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 :: 8.0660 HA :: 4.4410 HB2 :: 3.3620 HB3 :: 3.2590 HD1 :: 7.2630 HE1 :: 9.8570 HE3 :: 7.5220 HZ2 :: 7.1050 HZ3 :: 7.4520 HH2 :: 7.2080 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 :: 121.0740 NE1 :: 128.9490 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 G 0.19 C Shift Assignments>> CA :: 59.3500 CB :: 28.9890 CG :: 24.2510 CD :: 31.6930 CE :: 41.7270 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 :: 7.9240 HA :: 3.7290 HB2 :: 1.5480 HB3 :: 1.5910 HG2 :: 1.0560 HG3 :: 1.0900 HD2 :: 1.5880 HD3 :: 1.5880 HE2 :: 2.9260 HE3 :: 2.9260 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 :: 118.7480 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.37 K 0.12 Q 0.06 C Shift Assignments>> CA :: 59.3430 CB :: 28.2750 CG :: 36.1420 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 :: 7.8270 HA :: 4.0220 HB2 :: 2.0820 HB3 :: 1.8400 HG2 :: 2.4420 HG3 :: 2.2440 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 :: 117.4770 Ave N Shift Values>> N :: 120.67(3.48) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 65.7020 CB :: 31.5240 CG1 :: 21.0750 CG2 :: 21.4460 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 :: 7.6040 HA :: 3.6900 HB :: 2.2470 HG11 :: 0.9500 HG12 :: 0.9500 HG13 :: 0.9500 HG21 :: 1.0490 HG22 :: 1.0490 HG23 :: 1.0490 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 :: 120.3620 Ave N Shift Values>> N :: 121.14(4.54) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 65.4120 CB :: 31.5100 CG1 :: 20.2730 CG2 :: 20.3080 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 :: 8.0590 HA :: 3.7580 HB :: 2.0610 HG11 :: 0.9270 HG12 :: 0.9270 HG13 :: 0.9270 HG21 :: 0.9270 HG22 :: 0.9270 HG23 :: 0.9270 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 :: 119.5350 Ave N Shift Values>> N :: 121.14(4.54) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 M 0.32 K 0.17 E 0.1 C Shift Assignments>> CA :: 56.4050 CB :: 30.6990 CG :: 33.7450 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 :: 8.2030 HA :: 4.2900 HB2 :: 2.1220 HB3 :: 2.1650 HG2 :: 2.3630 HG3 :: 2.5020 HE21 :: 7.2270 HE22 :: 6.6320 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 :: 119.2600 NE2 :: 109.5090 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 F 0.18 L 0.08 E 0.02 M 0.02 I 0.01 C Shift Assignments>> CA :: 54.2650 CB :: 38.5640 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 :: 8.2470 HA :: 4.6680 HB2 :: 2.9230 HB3 :: 2.8380 HD21 :: 7.3780 HD22 :: 6.6640 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 :: 118.2110 ND2 :: 110.5690 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.2960 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3740 HA2 :: 3.9480 HA3 :: 3.8960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.3050 Ave N Shift Values>> N :: 109.67(3.87) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 K 0.42 E 0.07 M 0.03 I 0.02 C Shift Assignments>> CA :: 57.9980 CB :: 28.3220 CG :: 33.6350 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 :: 8.3700 HA :: 4.2720 HB2 :: 2.2360 HB3 :: 2.2360 HG2 :: 2.5550 HG3 :: 2.4400 HE21 :: 7.1610 HE22 :: 6.5260 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 :: 119.2430 NE2 :: 108.9830 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 65.1300 CB :: 69.0540 CG2 :: 20.8370 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 :: 8.0720 HA :: 4.1430 HB :: 4.4410 HG21 :: 1.3010 HG22 :: 1.3010 HG23 :: 1.3010 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 :: 116.1880 Ave N Shift Values>> N :: 115.42(4.75) 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 :: 64.0830 CB :: 37.8050 CG1 :: 27.8310 CG2 :: 16.2900 CD1 :: 12.0680 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 :: 8.0080 HA :: 3.8570 HB :: 1.8700 HG12 :: 1.5620 HG13 :: 1.1470 HG21 :: 0.8350 HG22 :: 0.8350 HG23 :: 0.8350 HD11 :: 0.8440 HD12 :: 0.8440 HD13 :: 0.8440 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 :: 121.5660 Ave N Shift Values>> N :: 121.46(4.28) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 59.4420 CB :: 38.7490 CE1 :: 131.3080 CE2 :: 131.2650 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 :: 8.2220 HA :: 4.4370 HB2 :: 3.2430 HB3 :: 3.1810 HD1 :: 7.2780 HD2 :: 7.2800 HE1 :: 7.3290 HE2 :: 7.3300 HZ :: 7.2250 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 :: 119.8390 Ave N Shift Values>> N :: 120.45(4.18) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.6980 CB :: 63.0960 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1900 HA :: 4.2980 HB2 :: 4.1440 HB3 :: 4.0440 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 :: 114.6370 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>> M 0.58 A 0.39 I 0.02 C Shift Assignments>> CA :: 54.6140 CB :: 17.4300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2440 HA :: 4.2040 HB1 :: 1.5310 HB2 :: 1.5310 HB3 :: 1.5310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.2300 Ave N Shift Values>> N :: 123.23(3.54) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.28 F 0.03 C Shift Assignments>> CA :: 44.5470 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3050 HA2 :: 3.9060 HA3 :: 3.8680 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.9980 Ave N Shift Values>> N :: 109.67(3.87) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 K 0.43 E 0.05 M 0.05 I 0.01 C Shift Assignments>> CA :: 57.5810 CB :: 28.4550 CG :: 33.4830 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 :: 7.9070 HA :: 4.1440 HB2 :: 2.1170 HB3 :: 2.1400 HG2 :: 2.3280 HG3 :: 2.2620 HE21 :: 7.0840 HE22 :: 6.5380 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 :: 119.6950 NE2 :: 110.4560 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> CA :: 58.0600 CB :: 32.2290 CG :: 24.4240 CD :: 28.6360 CE :: 41.7270 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 :: 7.9200 HA :: 4.2060 HB2 :: 1.9640 HB3 :: 1.9660 HG2 :: 1.4960 HG3 :: 1.6120 HD2 :: 1.7310 HD3 :: 1.7310 HE2 :: 3.0150 HE3 :: 3.0150 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 :: 119.5700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.03 G 0.01 C Shift Assignments>> CA :: 56.4050 CB :: 41.9980 CG :: 26.7050 CD1 :: 23.7560 CD2 :: 22.6040 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 :: 8.1900 HA :: 4.2890 HB2 :: 1.6580 HB3 :: 1.7720 HG :: 1.7440 HD11 :: 0.9320 HD12 :: 0.9320 HD13 :: 0.9320 HD21 :: 0.9080 HD22 :: 0.9080 HD23 :: 0.9080 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 :: 119.6510 Ave N Shift Values>> N :: 121.86(3.9) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.2960 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1580 HA2 :: 3.9300 HA3 :: 3.8950 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.0070 Ave N Shift Values>> N :: 109.67(3.87) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 N 0.22 I 0.1 L 0.09 E 0.07 M 0.03 C Shift Assignments>> CA :: 56.3860 CB :: 38.5640 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 :: 7.9680 HA :: 4.6980 HB2 :: 2.8810 HB3 :: 2.8810 HD21 :: 7.4730 HD22 :: 6.7500 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 :: 117.7370 ND2 :: 110.8680 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.04 C Shift Assignments>> CA :: 56.6660 CB :: 32.6840 CG :: 31.7380 CE :: 15.9310 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 :: 8.0800 HA :: 4.4800 HB2 :: 2.2260 HB3 :: 2.2260 HG2 :: 2.7090 HG3 :: 2.5900 HE1 :: 2.1010 HE2 :: 2.1010 HE3 :: 2.1010 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 :: 118.3870 Ave N Shift Values>> N :: 120.09(3.57) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K26 1.K26 C Shift Assignments>> CA :: 63.9860 CB :: 31.6960 CG1 :: 20.3950 CG2 :: 20.4570 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 :: 7.8940 HA :: 3.9810 HB :: 2.1840 HG11 :: 0.9930 HG12 :: 0.9930 HG13 :: 0.9930 HG21 :: 1.0530 HG22 :: 1.0530 HG23 :: 1.0530 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 :: 118.6100 Ave N Shift Values>> N :: 121.14(4.54) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.2 F 0.02 C Shift Assignments>> CA :: 44.7970 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2700 HA2 :: 4.0510 HA3 :: 3.9180 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.0510 Ave N Shift Values>> N :: 109.67(3.87) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.98 G 0.01 HN Overlap>> 1.I27 1.V24 1.I27 1.V24 C Shift Assignments>> CA :: 55.8810 CB :: 32.9850 CG :: 24.5990 CD :: 28.6360 CE :: 42.0050 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 :: 7.7890 HA :: 4.4610 HB2 :: 1.9160 HB3 :: 1.8410 HG2 :: 1.4360 HG3 :: 1.5110 HD2 :: 1.7340 HD3 :: 1.7340 HE2 :: 3.0380 HE3 :: 3.0400 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 :: 118.6040 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K26 1.K26 C Shift Assignments>> CA :: 61.1270 CB :: 38.8330 CG1 :: 26.8830 CG2 :: 16.6640 CD1 :: 11.9760 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 :: 7.7690 HA :: 4.2330 HB :: 1.9130 HG12 :: 1.2150 HG13 :: 1.5600 HG21 :: 0.9220 HG22 :: 0.9220 HG23 :: 0.9220 HD11 :: 0.8910 HD12 :: 0.8910 HD13 :: 0.8910 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 :: 118.6320 Ave N Shift Values>> N :: 121.46(4.28) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.04 C Shift Assignments>> CA :: 58.9380 CB :: 32.8710 CG1 :: 19.5560 CG2 :: 19.4530 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 :: 7.7010 HA :: 4.5360 HB :: 2.1040 HG11 :: 0.9640 HG12 :: 0.9640 HG13 :: 0.9640 HG21 :: 0.9840 HG22 :: 0.9840 HG23 :: 0.9840 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 :: 121.8420 Ave N Shift Values>> N :: 121.14(4.54) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.5220 CB :: 30.7480 CG :: 26.5570 CD :: 50.2070 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 :: 4.4820 HB2 :: 2.0270 HB3 :: 2.0270 HG2 :: 1.9890 HG3 :: 2.1510 HD2 :: 3.8230 HD3 :: 3.6560 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.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 A 0.18 G 0.03 C Shift Assignments>> CA :: 52.4250 CB :: 42.3780 CG :: 26.7110 CD1 :: 24.4460 CD2 :: 22.4390 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 :: 7.6480 HA :: 4.6290 HB2 :: 1.5510 HB3 :: 1.3170 HG :: 1.6780 HD11 :: 0.9760 HD12 :: 0.9760 HD13 :: 0.9760 HD21 :: 0.9370 HD22 :: 0.9370 HD23 :: 0.9370 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 :: 121.3530 Ave N Shift Values>> N :: 121.86(3.9) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.3140 CB :: 30.6350 CG :: 26.4810 CD :: 49.7210 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 :: 4.3840 HB2 :: 2.1010 HB3 :: 2.1010 HG2 :: 1.9450 HG3 :: 1.8430 HD2 :: 3.4350 HD3 :: 3.6940 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.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 F 0.3 L 0.15 I 0.03 E 0.01 M 0.01 C Shift Assignments>> CA :: 55.0500 CB :: 39.1000 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 :: 7.2460 HA :: 4.7000 HB2 :: 3.2170 HB3 :: 3.0620 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 :: 116.2710 Ave N Shift Values>> N :: 120.45(4.18) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.2960 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7270 HA2 :: 3.9120 HA3 :: 3.8560 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.9010 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 33 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 33 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 33 #Suspicious: 0 C Shift Results: #Consistent: 104 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 240 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 37 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0