Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.5 C 0.38 A 0.11 C Shift Assignments>> C :: 176.2030 CA :: 55.7900 CB :: 33.6950 CG :: 32.3000 CE :: 16.9800 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>> HA :: 4.4840 HB2 :: 2.0470 HB3 :: 1.9700 HG2 :: 2.5740 HG3 :: 2.5860 HE1 :: 2.0850 HE2 :: 2.0850 HE3 :: 2.0850 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) 1.R2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.36 G 0.1 K 0.05 C Shift Assignments>> C :: 177.2940 CA :: 55.8050 CB :: 30.8500 CG :: 27.7820 CD :: 43.7000 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 :: 8.7510 HA :: 4.3700 HB2 :: 1.6730 HB3 :: 2.0950 HG2 :: 1.7870 HG3 :: 1.6760 HD2 :: 3.2170 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 :: 123.6890 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.R3 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 R 0.17 K 0.16 C Shift Assignments>> CA :: 59.4000 CB :: 30.0200 CG :: 27.5720 CD :: 41.4110 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 :: 8.7480 HA :: 4.0200 HB2 :: 2.3010 HB3 :: 2.0150 HG2 :: 1.7850 HG3 :: 1.6780 HD2 :: 2.1620(S) HD3 :: 3.2840 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 :: 124.6570 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HD2 > HB2 : 0.9950) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 178.0430 CA :: 60.2420 CB :: 62.7290 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3310 HA :: 3.6200 HB2 :: 3.8760 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) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.33 I 0.2 K 0.03 M 0.01 Q 0.01 HN Overlap>> 1.H67 1.E57 1.K62 1.H67 1.E57 1.K62 C Shift Assignments>> C :: 173.9340 CA :: 59.3310 CB :: 29.6140 CG :: 36.8790 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 :: 7.9570 HA :: 4.0240 HB2 :: 2.3060 HB3 :: 2.1550 HG2 :: 2.2850 HG3 :: 2.2380 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 :: 118.8910 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 0.9 C 0.09 C Shift Assignments>> C :: 178.6560 CA :: 66.2000 CB :: 31.7900 CG1 :: 21.5550 CG2 :: 22.7890 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 :: 7.8050 HA :: 3.7850 HB :: 2.2530 HG11 :: 1.0000 HG12 :: 1.0000 HG13 :: 1.0000 HG21 :: 1.0550 HG22 :: 1.0550 HG23 :: 1.0550 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 :: 122.7320 Ave N Shift Values>> N :: 121.14(4.54) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.38 R 0.05 C Shift Assignments>> C :: 179.9060 CA :: 57.5970 CB :: 42.0320 CG :: 27.0060 CD1 :: 25.5110 CD2 :: 24.6000 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 :: 8.3830 HA :: 4.1750 HB2 :: 1.4930 HB3 :: 1.7800 HG :: 1.7730 HD11 :: 0.9300 HD12 :: 0.9300 HD13 :: 0.9300 HD21 :: 0.8620 HD22 :: 0.8620 HD23 :: 0.8620 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 :: 120.3950 Ave N Shift Values>> N :: 121.86(3.9) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.36 I 0.05 C 0.03 HN Overlap>> 1.L61 1.L61 C Shift Assignments>> C :: 179.0950 CA :: 55.5820 CB :: 18.4710 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7800 HA :: 4.0590 HB1 :: 1.7450 HB2 :: 1.7450 HB3 :: 1.7450 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2820 Ave N Shift Values>> N :: 123.23(3.54) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.31 I 0.22 K 0.05 Q 0.02 HN Overlap>> 1.E24 1.E24 C Shift Assignments>> C :: 179.6000 CA :: 59.5120 CB :: 29.1000 CG :: 36.4710 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 :: 7.7900 HA :: 3.9700 HB2 :: 2.2030 HB3 :: 2.0340 HG2 :: 2.1980 HG3 :: 2.4350 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 :: 118.3320 Ave N Shift Values>> N :: 120.67(3.48) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 I 0.2 K 0.03 M 0.01 Q 0.01 C Shift Assignments>> CA :: 59.5000 CB :: 29.5960 CG :: 36.7930 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 :: 8.7340 HA :: 4.0210 HB2 :: 2.0530 HB3 :: 2.1570 HG2 :: 2.6240 HG3 :: 2.2480 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 :: 118.7440 Ave N Shift Values>> N :: 120.67(3.48) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.8790 CA :: 63.1400 CB :: 63.1690 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3610 HA :: 4.0750 HB2 :: 3.7640 HB3 :: 4.2690 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) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 C Shift Assignments>> C :: 177.8840 CA :: 65.2100 CB :: 37.6440 CG1 :: 29.2010 CG2 :: 17.7280 CD1 :: 17.0760 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 :: 7.3480 HA :: 3.6860 HB :: 2.1270 HG12 :: 1.7520 HG13 :: 0.9500 HG21 :: 0.9400 HG22 :: 0.9400 HG23 :: 0.9400 HD11 :: 0.9150 HD12 :: 0.9150 HD13 :: 0.9150 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 :: 122.8690 Ave N Shift Values>> N :: 121.46(4.28) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.3060 CA :: 66.3130 CB :: 31.7390 CG1 :: 21.5640 CG2 :: 22.8180 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 :: 8.0340 HA :: 3.8480 HB :: 2.1390 HG11 :: 1.0120 HG12 :: 1.0120 HG13 :: 1.0120 HG21 :: 1.1080 HG22 :: 1.1080 HG23 :: 1.1080 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 :: 120.4190 Ave N Shift Values>> N :: 121.14(4.54) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 I 0.37 C 0.13 W 0.01 R 0.01 C Shift Assignments>> C :: 177.5470 CA :: 63.1180 CB :: 26.2730 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3580 HA :: 4.0770 HB2 :: 3.0070 HB3 :: 3.1670 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 :: 118.0570 Ave N Shift Values>> N :: 120.17(4.64) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.45 R 0.02 HN Overlap>> 1.I25 1.I25 C Shift Assignments>> C :: 177.3790 CA :: 58.1780 CB :: 41.5070 CG :: 28.1000 CD1 :: 24.8000 CD2 :: 23.8100 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 :: 7.6810 HA :: 4.1730 HB2 :: 1.7960 HB3 :: 1.8870 HG :: 0.8970 HD11 :: 1.0100 HD12 :: 1.0100 HD13 :: 1.0100 HD21 :: 0.9540 HD22 :: 0.9540 HD23 :: 0.9540 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 :: 120.9450 Ave N Shift Values>> N :: 121.86(3.9) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.21 Q 0.2 E 0.1 I 0.05 R 0.01 M 0.01 C Shift Assignments>> C :: 179.3000 CA :: 59.8300 CB :: 29.1700 CG :: 34.2480 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 :: 8.6760 HA :: 3.9060 HB2 :: 2.2980 HB3 :: 2.2040 HG2 :: 2.4920 HG3 :: 2.3250 HE21 :: 7.2320 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 :: 119.0200 NE2 :: 111.3190 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.42 R 0.1 C Shift Assignments>> C :: 179.7890 CA :: 59.6030 CB :: 32.5000 CG :: 25.2300 CD :: 29.5830 CE :: 42.2000 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 :: 8.9480 HA :: 4.0460 HB2 :: 1.8740 HB3 :: 1.9440 HG2 :: 1.4400 HG3 :: 1.2890 HD2 :: 1.6670 HD3 :: 1.7270 HE2 :: 2.9480 HE3 :: 3.0180 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 :: 118.3500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.19 C 0.09 L 0.07 V 0.03 I 0.01 T 0.01 C Shift Assignments>> C :: 179.7530 CA :: 55.2770 CB :: 20.0340 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1260 HA :: 4.2520 HB1 :: 1.6010 HB2 :: 1.6010 HB3 :: 1.6010 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.0070 Ave N Shift Values>> N :: 123.23(3.54) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.42 C Shift Assignments>> C :: 179.9190 CA :: 58.3110 CB :: 41.1770 CG :: 26.6000 CD1 :: 22.1750 CD2 :: 23.8180 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 :: 8.5470 HA :: 3.9860 HB2 :: 1.9820 HB3 :: 1.5160 HG :: 0.9440 HD11 :: 0.9500 HD12 :: 0.9500 HD13 :: 0.9500 HD21 :: 0.9630 HD22 :: 0.9630 HD23 :: 0.9630 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 :: 117.6450 Ave N Shift Values>> N :: 121.86(3.9) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 N 0.19 D 0.12 E 0.11 I 0.1 L 0.06 M 0.03 HN Overlap>> 1.L22 1.L22 C Shift Assignments>> C :: 176.9400 CA :: 56.4440 CB :: 38.3060 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 :: 8.1000 HA :: 4.4230 HB2 :: 2.9020 HB3 :: 2.8670 HD21 :: 7.6970 HD22 :: 6.9770 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 :: 118.6070 ND2 :: 112.5570 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 C 0.33 H 0.31 C Shift Assignments>> C :: 177.6610 CA :: 58.9780 CB :: 30.6480 CD2 :: 119.5000 CE1 :: 138.2060 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 :: 8.2190 HA :: 4.3050 HB2 :: 3.2990 HB3 :: 3.2130 HD2 :: 6.8740 HE1 :: 7.8640 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 :: 121.6320 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.41 HN Overlap>> 1.N20 1.N20 C Shift Assignments>> C :: 176.3340 CA :: 57.8440 CB :: 40.5730 CG :: 26.2720 CD1 :: 24.6000 CD2 :: 24.1000 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 :: 8.1930 HA :: 3.2660 HB2 :: 1.2950 HB3 :: 1.2650 HG :: 1.3210 HD11 :: 0.7090 HD12 :: 0.7090 HD13 :: 0.7090 HD21 :: 0.6050 HD22 :: 0.6050 HD23 :: 0.6050 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 :: 118.6070 Ave N Shift Values>> N :: 121.86(3.9) 1.R23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 G 0.18 R 0.01 C Shift Assignments>> C :: 178.3240 CA :: 60.0390 CB :: 29.5030 CG :: 27.7780 CD :: 43.5490 CZ :: 169.8510(S) 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 :: 7.3310 HA :: 3.7980 HB2 :: 1.9020 HB3 :: 1.9380 HG2 :: 1.7580 HG3 :: 1.8480 HD2 :: 3.2740 HD3 :: 3.2100 HE :: 7.5380 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 :: 115.5820 NE :: 89.5700 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.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.32 I 0.21 K 0.04 Q 0.01 M 0.01 HN Overlap>> 1.E9 1.E9 C Shift Assignments>> C :: 180.0080 CA :: 59.4170 CB :: 29.3700 CG :: 36.7450 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 :: 7.7850 HA :: 3.9670 HB2 :: 2.0390 HB3 :: 2.1880 HG2 :: 2.4460 HG3 :: 2.1960 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 :: 118.3320 Ave N Shift Values>> N :: 120.67(3.48) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> C :: 177.9300 CA :: 65.5130 CB :: 37.3050 CG1 :: 28.5700 CG2 :: 17.8000 CD1 :: 17.0000 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 :: 7.7670 HA :: 3.6400 HB :: 1.7810 HG12 :: 1.5470 HG13 :: 0.8790 HG21 :: 0.8580 HG22 :: 0.8580 HG23 :: 0.8580 HD11 :: 0.6630 HD12 :: 0.6630 HD13 :: 0.6630 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 :: 120.9450 Ave N Shift Values>> N :: 121.46(4.28) 1.W26 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 H 0.04 C Shift Assignments>> C :: 179.6130 CA :: 58.6370 CB :: 27.9250 CD1 :: 135.4900(A) CE3 :: 127.6060(S) CZ2 :: 120.1070(S) CZ3 :: 119.7320 CH2 :: 121.8420 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 :: 8.6410 HA :: 4.4900 HB2 :: 2.9270 HB3 :: 2.9700 HD1 :: 7.8020 HE3 :: 7.9650 HZ2 :: 6.9600 HZ3 :: 6.8750 HH2 :: 6.9060 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 :: 120.2570 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.38 I 0.09 K 0.05 M 0.04 Q 0.03 C Shift Assignments>> C :: 178.8620 CA :: 58.5110 CB :: 29.9700 CG :: 36.4400 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 :: 8.6050 HA :: 4.1860 HB2 :: 2.2550 HB3 :: 2.1380 HG2 :: 2.4320 HG3 :: 2.4750 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 :: 118.4690 Ave N Shift Values>> N :: 120.67(3.48) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.4 R 0.04 G 0.02 HN Overlap>> 1.A56 1.A56 C Shift Assignments>> C :: 179.5360 CA :: 58.2500 CB :: 42.5070 CG :: 26.9000 CD1 :: 24.6000 CD2 :: 25.0600 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 :: 7.9750 HA :: 4.1800 HB2 :: 1.8930 HB3 :: 1.8650 HG :: 1.6880 HD11 :: 0.9280 HD12 :: 0.9280 HD13 :: 0.9280 HD21 :: 0.9150 HD22 :: 0.9150 HD23 :: 0.9150 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 :: 121.3570 Ave N Shift Values>> N :: 121.86(3.9) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 176.5330 CA :: 61.9010 CB :: 38.4390 CG1 :: 27.0570 CG2 :: 18.0000 CD1 :: 17.0760 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 :: 8.2290 HA :: 4.2780 HB :: 2.0900 HG12 :: 1.5450 HG13 :: 1.5690 HG21 :: 0.9540 HG22 :: 0.9540 HG23 :: 0.9540 HD11 :: 0.8950 HD12 :: 0.8950 HD13 :: 0.8950 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 :: 111.7320 Ave N Shift Values>> N :: 121.46(4.28) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 175.9640 CA :: 46.7080 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8750 HA2 :: 4.0350 HA3 :: 3.8710 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4940 Ave N Shift Values>> N :: 109.67(3.87) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.47 A 0.04 C Shift Assignments>> CA :: 57.3500 CB :: 37.3350 CG1 :: 27.1300 CG2 :: 17.1800 CD1 :: 13.1430 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 :: 7.9170 HA :: 4.3310 HB :: 1.7640 HG12 :: 1.5190 HG21 :: 0.6790 HG22 :: 0.6790 HG23 :: 0.6790 HD11 :: 0.6740 HD12 :: 0.6740 HD13 :: 0.6740 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 :: 120.6700 Ave N Shift Values>> N :: 121.46(4.28) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> C :: 179.5700 CA :: 62.9240 CB :: 32.9820 CG :: 28.0320 CD :: 51.4060 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 :: 4.5910 HB2 :: 2.4470 HB3 :: 2.2050 HG2 :: 2.0280 HG3 :: 2.1210 HD2 :: 4.0300 HD3 :: 3.5590 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.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.31 Q 0.25 K 0.24 E 0.1 R 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 177.0740 CA :: 58.6450 CB :: 28.8360 CG :: 34.1600 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>> HA :: 4.0930 HB2 :: 2.1520 HB3 :: 2.2320 HG2 :: 2.3570 HG3 :: 2.5610 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) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.19 D 0.18 L 0.14 N 0.08 E 0.01 M 0.01 C Shift Assignments>> C :: 178.8470 CA :: 57.3780 CB :: 39.3060 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 :: 8.8600 HA :: 4.2890 HB2 :: 2.6850 HB3 :: 2.5730 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 :: 116.4070 Ave N Shift Values>> N :: 120.65(3.86) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.26 K 0.25 E 0.1 R 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 178.0430 CA :: 58.1110 CB :: 28.8360 CG :: 34.1860 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 :: 7.1640 HA :: 4.0740 HB2 :: 1.8720 HG2 :: 2.2580 HG3 :: 2.3580 HE21 :: 7.7770 HE22 :: 6.7050 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 :: 119.8440 NE2 :: 112.0070 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R36 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 R 0.4 G 0.11 K 0.02 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 179.7150 CA :: 59.1110 CB :: 30.0000 CG :: 27.5750 CD :: 43.7000 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 :: 7.6770 HA :: 2.5140(S) HB2 :: 1.9330 HB3 :: 1.9760 HG2 :: 1.7380 HG3 :: 1.7980 HD2 :: 3.2170 HD3 :: 3.3420 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 :: 120.1190 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.42 C Shift Assignments>> C :: 177.8010 CA :: 58.5110 CB :: 41.4100 CG :: 26.7420 CD1 :: 24.7790 CD2 :: 23.5660 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 :: 8.7160 HA :: 3.7140 HB2 :: 1.7940 HB3 :: 1.6400 HG :: 1.5990 HD11 :: 0.8610 HD12 :: 0.8610 HD13 :: 0.8610 HD21 :: 0.7830 HD22 :: 0.7830 HD23 :: 0.7830 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 :: 121.3570 Ave N Shift Values>> N :: 121.86(3.9) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.22 Q 0.22 E 0.06 R 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 179.1120 CA :: 59.4170 CB :: 28.3710 CG :: 33.9490 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 :: 7.3640 HA :: 4.0220 HB2 :: 2.1200 HB3 :: 2.1700 HG2 :: 2.5600 HG3 :: 2.3870 HE21 :: 7.3510 HE22 :: 6.7740 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 :: 118.1950 NE2 :: 111.3190 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 G 0.08 R 0.02 C Shift Assignments>> C :: 178.9190 CA :: 58.6450 CB :: 30.5700 CG :: 27.5110 CD :: 43.0870 CZ :: 170.3700(S) 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 :: 7.9150 HA :: 4.0900 HB2 :: 1.8600 HB3 :: 1.9580 HG2 :: 1.6900 HG3 :: 1.8030 HD2 :: 3.2250 HD3 :: 3.2690 HE :: 8.2820 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 :: 116.8200 NE :: 81.7700 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.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.4610 CA :: 67.5000 CB :: 67.9000 CG2 :: 21.6480 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 :: 8.2280 HA :: 3.9600 HB :: 4.2900 HG21 :: 1.3960 HG22 :: 1.3960 HG23 :: 1.3960 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 :: 114.4820 Ave N Shift Values>> N :: 115.42(4.75) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.31 I 0.23 K 0.04 Q 0.01 C Shift Assignments>> C :: 179.2160 CA :: 59.6760 CB :: 29.3000 CG :: 36.6500 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 :: 8.6000 HA :: 4.0420 HB2 :: 2.2490 HB3 :: 2.0370 HG2 :: 2.2350 HG3 :: 2.3390 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 :: 122.8700 Ave N Shift Values>> N :: 120.67(3.48) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.V43 1.V43 C Shift Assignments>> C :: 178.2600 CA :: 66.9800 CB :: 31.7710 CG1 :: 23.0710 CG2 :: 21.8000 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 :: 7.4770 HA :: 3.6800 HB :: 2.4460 HG11 :: 1.1740 HG12 :: 1.1740 HG13 :: 1.1740 HG21 :: 1.0070 HG22 :: 1.0070 HG23 :: 1.0070 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 :: 120.1190 Ave N Shift Values>> N :: 121.14(4.54) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.L50 1.L50 1.V42 1.V42 C Shift Assignments>> C :: 177.0650 CA :: 67.4040 CB :: 31.9280 CG1 :: 21.6580 CG2 :: 22.8950 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 :: 7.5610 HA :: 3.6100 HB :: 2.4310 HG11 :: 1.0080 HG12 :: 1.0080 HG13 :: 1.0080 HG21 :: 1.1710 HG22 :: 1.1710 HG23 :: 1.1710 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 :: 120.1190 Ave N Shift Values>> N :: 121.14(4.54) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.41 R 0.09 G 0.01 C Shift Assignments>> C :: 178.2890 CA :: 60.2080 CB :: 32.6370 CG :: 25.2350 CD :: 29.5500 CE :: 42.2000 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 :: 8.2990 HA :: 3.8780 HB2 :: 1.9420 HB3 :: 2.0200 HG2 :: 1.4990 HG3 :: 1.4440 HD2 :: 1.6750 HD3 :: 1.6050 HE2 :: 2.9350 HE3 :: 3.0600 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 :: 118.8820 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 C Shift Assignments>> C :: 178.8600 CA :: 59.3780 CB :: 32.6370 CG :: 25.1320 CD :: 29.6130 CE :: 42.0670 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 :: 8.3210 HA :: 4.0180 HB2 :: 1.9520 HB3 :: 1.8690 HG2 :: 1.3000 HD2 :: 1.6650 HD3 :: 1.6080 HE2 :: 2.9420 HE3 :: 2.9600 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 :: 118.7440 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 W 0.3 H 0.28 C Shift Assignments>> C :: 179.2260 CA :: 59.7130 CB :: 30.8220 CD2 :: 118.0500 CE1 :: 138.8700 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 :: 8.2490 HA :: 4.4500 HB2 :: 3.2950 HB3 :: 3.2250 HD2 :: 6.7630 HE1 :: 7.8020 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 :: 117.7820 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 176.8820 CA :: 65.1810 CB :: 37.4780 CG1 :: 29.2910 CG2 :: 17.4000 CD1 :: 17.0000 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 :: 8.4590 HA :: 3.7060 HB :: 2.1240 HG12 :: 1.2640 HG13 :: 1.9000 HG21 :: 0.9660 HG22 :: 0.9660 HG23 :: 0.9660 HD11 :: 0.9150 HD12 :: 0.9150 HD13 :: 0.9150 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 :: 119.8440 Ave N Shift Values>> N :: 121.46(4.28) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.41 R 0.09 G 0.01 C Shift Assignments>> C :: 178.2210 CA :: 60.1360 CB :: 32.5990 CG :: 25.1000 CD :: 29.3140 CE :: 42.4350 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 :: 8.5360 HA :: 3.8890 HB2 :: 2.0240 HB3 :: 1.9400 HG2 :: 1.4450 HG3 :: 1.4950 HD2 :: 1.7470 HD3 :: 1.6000 HE2 :: 2.9340 HE3 :: 2.8760 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.3950 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.29 I 0.24 K 0.02 M 0.01 C Shift Assignments>> C :: 179.6030 CA :: 59.6580 CB :: 29.5810 CG :: 37.0000 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 :: 8.2990 HA :: 4.0500 HB2 :: 2.1500 HB3 :: 2.0410 HG2 :: 2.5530 HG3 :: 2.2940 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 :: 116.9570 Ave N Shift Values>> N :: 120.67(3.48) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.37 HN Overlap>> 1.V43 1.R36 1.V43 1.R36 C Shift Assignments>> C :: 178.7070 CA :: 57.8000 CB :: 41.9470 CG :: 26.0000 CD1 :: 24.3000 CD2 :: 23.5740 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 :: 7.6040 HA :: 4.1750 HB2 :: 1.8620 HB3 :: 1.6190 HG :: 0.8540 HD11 :: 0.9270 HD12 :: 0.9270 HD13 :: 0.9270 HD21 :: 0.7810 HD22 :: 0.7810 HD23 :: 0.7810 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 :: 120.1190 Ave N Shift Values>> N :: 121.86(3.9) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.47 A 0.02 C Shift Assignments>> C :: 179.0770 CA :: 56.9100 CB :: 40.1870 CG :: 27.2920 CD1 :: 25.5470 CD2 :: 22.2450 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 :: 8.2510 HA :: 4.0150 HB2 :: 1.4770 HB3 :: 2.0170 HG :: 1.9760 HD11 :: 0.8940 HD12 :: 0.8940 HD13 :: 0.8940 HD21 :: 0.8720 HD22 :: 0.8720 HD23 :: 0.8720 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 :: 120.2570 Ave N Shift Values>> N :: 121.86(3.9) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 D 0.2 I 0.18 L 0.17 N 0.06 K 0.01 C Shift Assignments>> C :: 180.0710 CA :: 57.5110 CB :: 39.7000 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 :: 9.0400 HA :: 4.3820 HB2 :: 2.8420 HB3 :: 2.5610 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 :: 119.8440 Ave N Shift Values>> N :: 120.65(3.86) 1.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.43 C Shift Assignments>> C :: 178.6120 CA :: 59.1000 CB :: 32.3000 CG :: 31.7880 CE :: 17.4020 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 :: 7.6530 HA :: 4.2440 HB2 :: 2.3500 HB3 :: 2.2950 HG2 :: 2.7720 HG3 :: 2.5710 HE1 :: 2.1020 HE2 :: 2.1020 HE3 :: 2.1020 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 :: 120.6200 Ave N Shift Values>> N :: 120.09(3.57) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.43 C Shift Assignments>> C :: 179.0350 CA :: 59.0960 CB :: 32.7040 CG :: 32.3040 CE :: 16.9800 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 :: 8.0820 HA :: 4.2550 HB2 :: 2.6220 HB3 :: 2.8410 HG2 :: 2.5920 HG3 :: 2.2870 HE1 :: 2.0850 HE2 :: 2.0850 HE3 :: 2.0850 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 :: 119.9820 Ave N Shift Values>> N :: 120.09(3.57) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 177.3030 CA :: 65.9510 CB :: 37.8990 CG1 :: 30.9840 CG2 :: 17.6050 CD1 :: 16.1910 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 :: 8.9040 HA :: 3.5130 HB :: 1.8890 HG12 :: 0.7860 HG13 :: 1.7700 HG21 :: 0.7670 HG22 :: 0.7670 HG23 :: 0.7670 HD11 :: 0.8660 HD12 :: 0.8660 HD13 :: 0.8660 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 :: 120.5320 Ave N Shift Values>> N :: 121.46(4.28) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.04 C 0.02 HN Overlap>> 1.L28 1.L28 C Shift Assignments>> C :: 181.3560 CA :: 55.2610 CB :: 17.9030 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9490 HA :: 4.1900 HB1 :: 1.5380 HB2 :: 1.5380 HB3 :: 1.5380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3570 Ave N Shift Values>> N :: 123.23(3.54) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 I 0.19 K 0.05 Q 0.02 M 0.01 HN Overlap>> 1.H67 1.H67 1.K62 1.E5 1.K62 1.E5 C Shift Assignments>> C :: 179.5190 CA :: 59.4900 CB :: 29.4060 CG :: 36.4900 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 :: 7.9160 HA :: 4.1280 HB2 :: 2.1560 HB3 :: 2.3080 HG2 :: 2.5120 HG3 :: 2.4190 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 :: 118.8820 Ave N Shift Values>> N :: 120.67(3.48) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.33 I 0.19 K 0.03 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.5770 CA :: 59.4000 CB :: 29.6670 CG :: 36.8410 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 :: 8.2720 HA :: 4.0610 HB2 :: 2.0490 HB3 :: 2.1560 HG2 :: 2.4040 HG3 :: 2.5370 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 :: 122.3200 Ave N Shift Values>> N :: 120.67(3.48) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.22 K 0.22 E 0.11 I 0.03 M 0.02 R 0.01 C Shift Assignments>> C :: 179.6540 CA :: 59.3780 CB :: 29.2360 CG :: 34.2500 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 :: 8.9440 HA :: 4.0590 HB2 :: 2.1550 HB3 :: 2.0430 HG2 :: 2.3170 HG3 :: 2.4940 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 :: 118.1950 Ave N Shift Values>> N :: 120.67(3.48) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.5250 CA :: 61.2400 CB :: 62.9520 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9420 HA :: 4.3850 HB2 :: 4.0980 HB3 :: 4.0560 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 :: 115.4440 Ave N Shift Values>> N :: 116.28(3.52) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 R 0.02 HN Overlap>> 1.A8 1.A8 C Shift Assignments>> C :: 178.4870 CA :: 57.5750 CB :: 42.0320 CG :: 27.0000 CD1 :: 24.8500 CD2 :: 23.8200 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 :: 7.8000 HA :: 4.1720 HB2 :: 1.7720 HB3 :: 1.8560 HG :: 1.7680 HD11 :: 1.0120 HD12 :: 1.0120 HD13 :: 1.0120 HD21 :: 0.9530 HD22 :: 0.9530 HD23 :: 0.9530 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 :: 123.2820 Ave N Shift Values>> N :: 121.86(3.9) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.06 HN Overlap>> 1.H67 1.E57 1.H67 1.E57 1.E5 1.E5 C Shift Assignments>> C :: 177.8550 CA :: 59.3120 CB :: 32.6670 CG :: 24.8690 CD :: 29.6500 CE :: 42.0300 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 :: 8.0150 HA :: 3.9700 HB2 :: 1.8740 HB3 :: 2.1030 HG2 :: 1.5070 HG3 :: 1.4210 HD2 :: 1.6700 HD3 :: 1.7180 HE2 :: 2.9330 HE3 :: 2.9650 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 :: 118.8820 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.1 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.1200 CA :: 58.3000 CB :: 29.6370 CG :: 36.4250 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 :: 8.0100 HA :: 4.1880 HB2 :: 2.1530 HB3 :: 2.0450 HG2 :: 2.4200 HG3 :: 2.3060 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 :: 118.1950 Ave N Shift Values>> N :: 120.67(3.48) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 G 0.09 K 0.03 C Shift Assignments>> C :: 177.9140 CA :: 57.8860 CB :: 30.4420 CG :: 27.5100 CD :: 43.6800 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 :: 7.9060 HA :: 4.2390 HB2 :: 1.8790 HB3 :: 1.9600 HG2 :: 1.6970 HG3 :: 1.7970 HD2 :: 3.2290 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 :: 119.0200 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.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.32 R 0.05 A 0.01 G 0.01 C Shift Assignments>> C :: 178.3110 CA :: 56.3110 CB :: 42.2400 CG :: 26.7590 CD1 :: 25.4430 CD2 :: 23.0100 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 :: 8.0370 HA :: 4.2540 HB2 :: 1.7780 HB3 :: 1.6020 HG :: 1.6920 HD11 :: 0.9270 HD12 :: 0.9270 HD13 :: 0.9270 HD21 :: 0.8760 HD22 :: 0.8760 HD23 :: 0.8760 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 :: 120.6700 Ave N Shift Values>> N :: 121.86(3.9) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 K 0.06 I 0.06 M 0.05 Q 0.04 C Shift Assignments>> C :: 176.9910 CA :: 57.4980 CB :: 29.9310 CG :: 36.4450 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 :: 8.1440 HA :: 4.1460 HB2 :: 1.9900 HB3 :: 1.9450 HG2 :: 2.3010 HG3 :: 2.1630 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 :: 119.5700 Ave N Shift Values>> N :: 120.67(3.48) 1.H67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.14 E 0.14 W 0.14 C 0.13 Q 0.11 M 0.07 K 0.06 V 0.01 HN Overlap>> 1.E57 1.K62 1.E5 1.E57 1.K62 1.E5 C Shift Assignments>> C :: 174.2320 CA :: 57.0040 CB :: 30.4900 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 :: 8.0010 HA :: 4.5470 HB2 :: 3.0410 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 :: 118.8760 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 62 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 66 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 65 #Suspicious: 2 C Shift Results: #Consistent: 311 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 1 H Shift Results: #Consistent: 515 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 68 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R3 HD2 = 2.1620(S), Expected = 3.12, Std = 0.2400, ChiSquare = 6.5611e-05 1.R3 SRO Rule Break>> HD2 > HB2 : 0.994969040247678 1.R23 CZ = 169.8510(S), Expected = 159.97, Std = 2.9500, ChiSquare = 8.0960e-04 1.W26 Typing: Suspicious 1.W26 CD1 = 135.4900(A), Expected = 126.51, Std = 1.8300, ChiSquare = 9.2431e-07 1.W26 CE3 = 127.6060(S), Expected = 120.43, Std = 1.7900, ChiSquare = 6.0992e-05 1.W26 CZ2 = 120.1070(S), Expected = 114.26, Std = 1.1200, ChiSquare = 1.7841e-07 1.R36 HA = 2.5140(S), Expected = 4.30, Std = 0.4600, ChiSquare = 1.0334e-04 1.R36 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.R39 CZ = 170.3700(S), Expected = 159.97, Std = 2.9500, ChiSquare = 4.2281e-04