Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.35 Q 0.14 K 0.01 C Shift Assignments>> C :: 176.0890 CA :: 55.6820 CB :: 32.6900 CG :: 32.0510 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 :: 4.3910 HB2 :: 2.0460 HB3 :: 1.9290 HG2 :: 2.5020 HG3 :: 2.4240 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 :: 122.9100 Ave N Shift Values>> N :: 120.09(3.57) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.M97 1.M97 C Shift Assignments>> C :: 174.1630 CA :: 58.2210 CB :: 63.9370 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2920 HA :: 4.3930 HB2 :: 3.7860 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 :: 117.6010 Ave N Shift Values>> N :: 116.28(3.52) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.2 N 0.11 F 0.11 Y 0.08 K 0.08 C 0.06 HN Overlap>> 1.E33 1.E33 C Shift Assignments>> C :: 175.8430 CA :: 54.5540 CB :: 40.8890 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 :: 8.3310 HA :: 4.5230 HB2 :: 2.6380 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.9870 Ave N Shift Values>> N :: 120.65(3.86) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.2 C 0.08 F 0.08 Y 0.07 L 0.06 C Shift Assignments>> C :: 175.0820 CA :: 53.3330 CB :: 39.0760 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 :: 8.2030 HA :: 4.6170 HB2 :: 2.7980 HB3 :: 2.6920 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 :: 118.9980 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.08 K 0.07 Q 0.07 I 0.03 HN Overlap>> 1.I76 1.E85 1.I76 1.E85 C Shift Assignments>> C :: 176.0370 CA :: 56.7560 CB :: 30.0760 CG :: 36.1650 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 :: 8.2980 HA :: 4.1640 HB2 :: 2.0410 HB3 :: 1.8790 HG2 :: 2.2050 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 :: 121.8640 Ave N Shift Values>> N :: 120.67(3.48) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.11 F 0.09 K 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 175.5640 CA :: 54.3480 CB :: 41.0620 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 :: 8.2120 HA :: 4.4440 HB2 :: 2.5270 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.5980 Ave N Shift Values>> N :: 120.65(3.86) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.2 C 0.08 F 0.06 Y 0.06 L 0.05 C Shift Assignments>> C :: 174.6920 CA :: 52.9680 CB :: 39.0490 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 :: 8.1120 HA :: 4.5950 HB2 :: 2.6960 HB3 :: 2.6110 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.6440 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.38 C 0.21 HN Overlap>> 1.D18 1.D18 C Shift Assignments>> C :: 175.4260 CA :: 57.7140 CB :: 39.3460 CD1 :: 132.1760 CE1 :: 131.6600 CZ :: 130.0220 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 :: 8.2020 HA :: 4.5420 HB2 :: 3.1040 HB3 :: 2.9790 HD1 :: 7.1840 HE1 :: 7.2990 HZ :: 7.2340 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 :: 122.4780 Ave N Shift Values>> N :: 120.45(4.18) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 K 0.11 N 0.1 F 0.09 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 176.2420 CA :: 54.2020 CB :: 41.2430 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 :: 8.2400 HA :: 4.5160 HB2 :: 2.6020 HB3 :: 2.5630 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 :: 123.8610 Ave N Shift Values>> N :: 120.65(3.86) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.6410 CA :: 45.2440 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6580 HA2 :: 3.8090 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.7700 Ave N Shift Values>> N :: 109.67(3.87) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.13 N 0.08 F 0.07 Y 0.05 C 0.05 R 0.03 HN Overlap>> 1.K101 1.D15 1.K101 1.D15 C Shift Assignments>> C :: 175.7430 CA :: 54.0940 CB :: 41.5380 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 :: 8.1350 HA :: 3.8100 HB2 :: 2.5360 HB3 :: 2.5300 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.3880 Ave N Shift Values>> N :: 120.65(3.86) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.21 N 0.12 K 0.09 F 0.08 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.D14 1.K101 1.D14 1.K101 C Shift Assignments>> C :: 175.6900 CA :: 54.0320 CB :: 41.0950 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 :: 8.1670 HA :: 4.4960 HB2 :: 2.5800 HB3 :: 2.4720 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.4010 Ave N Shift Values>> N :: 120.65(3.86) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.39 C 0.19 HN Overlap>> 1.V19 1.V19 C Shift Assignments>> C :: 175.3160 CA :: 57.2850 CB :: 39.6060 CD1 :: 132.1760 CE1 :: 131.6600 CZ :: 130.0220 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 :: 8.0490 HA :: 4.5200 HB2 :: 3.1040 HB3 :: 2.9380 HD1 :: 7.1840 HE1 :: 7.2990 HZ :: 7.2340 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.4740 Ave N Shift Values>> N :: 120.45(4.18) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.12 N 0.08 F 0.08 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 175.4850 CA :: 54.1310 CB :: 41.4120 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 :: 8.2100 HA :: 4.5100 HB2 :: 2.6140 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 :: 123.3740 Ave N Shift Values>> N :: 120.65(3.86) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.22 N 0.12 K 0.09 F 0.08 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.F11 1.F11 C Shift Assignments>> C :: 175.8670 CA :: 54.0500 CB :: 41.1080 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 :: 8.1420 HA :: 4.5330 HB2 :: 2.6520 HB3 :: 2.5270 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.4860 Ave N Shift Values>> N :: 120.65(3.86) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.34 HN Overlap>> 1.F16 1.F16 C Shift Assignments>> C :: 176.0160 CA :: 62.0110 CB :: 32.8760 CG1 :: 21.1510 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 :: 7.9900 HA :: 4.0630 HB :: 2.0320 HG11 :: 0.8670 HG12 :: 0.8670 HG13 :: 0.8670 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 :: 121.4840 Ave N Shift Values>> N :: 121.14(4.54) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 M 0.11 Q 0.07 K 0.06 I 0.01 C Shift Assignments>> C :: 176.2120 CA :: 56.1240 CB :: 30.3300 CG :: 36.1580 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 :: 8.4230 HA :: 4.2460 HB2 :: 1.9960 HB3 :: 1.8810 HG2 :: 2.2270 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 :: 126.5300 Ave N Shift Values>> N :: 120.67(3.48) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.12 Q 0.06 K 0.05 I 0.01 C Shift Assignments>> C :: 175.9160 CA :: 56.3930 CB :: 30.4420 CG :: 36.1680 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 :: 8.4240 HA :: 4.1860 HB2 :: 2.0050 HB3 :: 1.8800 HG2 :: 2.2210 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 :: 124.1850 Ave N Shift Values>> N :: 120.67(3.48) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.12 N 0.09 F 0.08 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.E34 1.E34 C Shift Assignments>> C :: 176.2100 CA :: 54.0920 CB :: 41.4060 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 :: 8.3970 HA :: 4.5340 HB2 :: 2.6700 HB3 :: 2.5850 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 :: 123.4920 Ave N Shift Values>> N :: 120.65(3.86) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.1 Q 0.06 K 0.06 I 0.02 C Shift Assignments>> C :: 177.0140 CA :: 56.7910 CB :: 30.2860 CG :: 36.1640 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 :: 8.4550 HA :: 4.1910 HB2 :: 2.0330 HB3 :: 1.9330 HG2 :: 2.2450 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 :: 123.7110 Ave N Shift Values>> N :: 120.67(3.48) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.2850 CA :: 45.5600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4780 HA2 :: 3.8480 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.9470 Ave N Shift Values>> N :: 109.67(3.87) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.27 R 0.05 A 0.01 G 0.01 C Shift Assignments>> C :: 177.2520 CA :: 55.1760 CB :: 42.3390 CG :: 27.0080 CD1 :: 25.1660 CD2 :: 23.4830 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 :: 8.0280 HA :: 4.2750 HB2 :: 1.5420 HD11 :: 0.8800 HD12 :: 0.8800 HD13 :: 0.8800 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 :: 122.5330 Ave N Shift Values>> N :: 121.86(3.9) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.11 F 0.09 N 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.E29 1.E29 C Shift Assignments>> C :: 175.9060 CA :: 54.4230 CB :: 41.1870 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 :: 8.2850 HA :: 4.5010 HB2 :: 2.6660 HB3 :: 2.5580 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.1480 Ave N Shift Values>> N :: 120.65(3.86) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.12 F 0.09 K 0.08 Y 0.07 C 0.05 C Shift Assignments>> C :: 176.3080 CA :: 54.2710 CB :: 40.9870 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 :: 8.1860 HA :: 4.5040 HB2 :: 2.6630 HB3 :: 2.5580 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.8480 Ave N Shift Values>> N :: 120.65(3.86) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 R 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 177.6750 CA :: 55.3470 CB :: 42.2250 CG :: 26.8870 CD1 :: 25.1660 CD2 :: 23.5060 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 :: 8.0970 HA :: 4.2210 HB2 :: 1.5420 HG :: 1.6320 HD11 :: 0.8750 HD12 :: 0.8750 HD13 :: 0.8750 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 :: 123.3900 Ave N Shift Values>> N :: 121.86(3.9) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 K 0.08 M 0.07 Q 0.06 I 0.03 HN Overlap>> 1.D26 1.D26 C Shift Assignments>> C :: 176.2850 CA :: 56.8130 CB :: 30.0210 CG :: 36.1840 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 :: 8.2700 HA :: 4.1290 HB2 :: 1.9690 HB3 :: 1.9320 HG2 :: 2.2020 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 :: 122.2040 Ave N Shift Values>> N :: 120.67(3.48) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.19 C 0.08 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.8230 CA :: 53.1170 CB :: 38.9750 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 :: 8.2930 HA :: 4.6170 HB2 :: 2.7800 HB3 :: 2.6750 HD21 :: 7.6100 HD22 :: 6.8450 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 :: 120.7120 ND2 :: 114.4060 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> C :: 177.7330 CA :: 52.6500 CB :: 19.2300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1850 HA :: 4.2320 HB1 :: 1.3560 HB2 :: 1.3560 HB3 :: 1.3560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.9870 Ave N Shift Values>> N :: 123.23(3.54) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.09 K 0.07 Q 0.06 I 0.02 C Shift Assignments>> C :: 176.5680 CA :: 56.5670 CB :: 30.1550 CG :: 36.1790 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 :: 8.3160 HA :: 4.1730 HB2 :: 2.0120 HB3 :: 1.9040 HG2 :: 2.2300 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 :: 121.1220 Ave N Shift Values>> N :: 120.67(3.48) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.1 K 0.07 Q 0.07 I 0.02 HN Overlap>> 1.D6 1.D6 C Shift Assignments>> C :: 176.4840 CA :: 56.5460 CB :: 30.2160 CG :: 36.1610 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 :: 8.2850 HA :: 4.1860 HB2 :: 2.0030 HB3 :: 1.8880 HG2 :: 2.2200 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 :: 123.0060 Ave N Shift Values>> N :: 120.67(3.48) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.09 K 0.06 Q 0.06 I 0.02 HN Overlap>> 1.D22 1.D22 C Shift Assignments>> C :: 176.9500 CA :: 56.8050 CB :: 30.2470 CG :: 36.1880 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 :: 8.3960 HA :: 4.1710 HB2 :: 2.0150 HB3 :: 1.9090 HG2 :: 2.2330 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 :: 123.4870 Ave N Shift Values>> N :: 120.67(3.48) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.9380 CA :: 45.3090 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3730 HA2 :: 3.8280 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.2470 Ave N Shift Values>> N :: 109.67(3.87) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 E 0.06 M 0.06 R 0.03 C Shift Assignments>> C :: 175.6070 CA :: 55.8230 CB :: 29.3960 CG :: 33.7720 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 :: 8.0280 HA :: 4.0110 HB2 :: 1.9450 HB3 :: 1.8300 HG2 :: 2.1980 HE21 :: 7.4800 HE22 :: 6.7860 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 :: 120.5770 NE2 :: 113.7180 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 M 0.18 Q 0.06 K 0.03 C Shift Assignments>> C :: 175.4330 CA :: 55.9490 CB :: 30.8690 CG :: 36.0670 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 :: 7.4810 HA :: 4.1880 HB2 :: 1.9220 HB3 :: 1.6130 HG2 :: 2.0970 HG3 :: 2.0050 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 :: 122.0180 Ave N Shift Values>> N :: 120.67(3.48) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 C 0.11 D 0.1 Y 0.05 F 0.05 L 0.02 M 0.01 E 0.01 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> C :: 173.8190 CA :: 52.6990 CB :: 38.1720 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 :: 8.7290 HA :: 4.8810 HB2 :: 2.7760 HB3 :: 3.0360 HD21 :: 7.3840 HD22 :: 6.5880 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 :: 122.6930 ND2 :: 112.3950 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.28 HN Overlap>> 1.Q52 1.E64 1.Q52 1.E64 C Shift Assignments>> C :: 174.7810 CA :: 59.2300 CB :: 35.9160 CG1 :: 21.7240 CG2 :: 20.5770 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 :: 8.0560 HA :: 5.5840 HB :: 2.1220 HG11 :: 1.0710 HG12 :: 1.0710 HG13 :: 1.0710 HG21 :: 0.9880 HG22 :: 0.9880 HG23 :: 0.9880 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 :: 120.7960 Ave N Shift Values>> N :: 121.14(4.54) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 M 0.14 E 0.07 C Shift Assignments>> C :: 173.4840 CA :: 54.7150 CB :: 34.2230 CG :: 36.6400 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 :: 9.3530 HA :: 4.6680 HB2 :: 2.0140 HG2 :: 2.3210 HG3 :: 2.2130 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 :: 125.7740 Ave N Shift Values>> N :: 120.67(3.48) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 I 0.22 A 0.02 HN Overlap>> 1.L86 1.L86 C Shift Assignments>> C :: 175.3030 CA :: 58.4930 CB :: 35.9710 CG1 :: 28.0350 CG2 :: 18.8560 CD1 :: 10.8240 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 :: 8.5770 HA :: 4.5520 HB :: 2.0420 HG12 :: 1.4450 HG13 :: 1.1160 HG21 :: 0.8240 HG22 :: 0.8240 HG23 :: 0.8240 HD11 :: 0.6140 HD12 :: 0.6140 HD13 :: 0.6140 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 :: 125.3100 Ave N Shift Values>> N :: 121.46(4.28) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 C 0.12 G 0.07 A 0.04 R 0.02 C Shift Assignments>> C :: 174.3290 CA :: 52.2280 CB :: 42.9250 CG :: 26.8870 CD1 :: 25.1660 CD2 :: 23.4450 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 :: 8.8970 HA :: 4.8210 HB2 :: 1.4210 HB3 :: 1.4950 HG :: 1.4060 HD11 :: 0.6450 HD12 :: 0.6450 HD13 :: 0.6450 HD21 :: 0.7450 HD22 :: 0.7450 HD23 :: 0.7450 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 :: 130.4350 Ave N Shift Values>> N :: 121.86(3.9) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.29 C Shift Assignments>> C :: 176.5510 CA :: 62.6430 CB :: 31.8180 CG :: 27.4610 CD :: 50.4090 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 :: 4.5860 HB2 :: 2.2490 HB3 :: 1.9370 HG2 :: 2.0580 HG3 :: 1.8870 HD2 :: 3.6010 HD3 :: 3.7870 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.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5010 CA :: 58.4280 CB :: 63.7480 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6480 HA :: 4.1720 HB2 :: 3.5090 HB3 :: 3.7650 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.2190 Ave N Shift Values>> N :: 116.28(3.52) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.5970 CA :: 45.1880 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1600 HA2 :: 3.9470 HA3 :: 3.7880 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.0110 Ave N Shift Values>> N :: 109.67(3.87) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.31 M 0.1 Q 0.07 K 0.07 I 0.01 C Shift Assignments>> C :: 175.9050 CA :: 55.9930 CB :: 30.1930 CG :: 36.1530 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 :: 8.0530 HA :: 4.1920 HB2 :: 1.9030 HB3 :: 1.7700 HG2 :: 2.1430 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 :: 122.3590 Ave N Shift Values>> N :: 120.67(3.48) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.27 K 0.13 G 0.05 L 0.02 C Shift Assignments>> C :: 174.3290 CA :: 53.7180 CB :: 29.9760 CG :: 26.3140 CD :: 42.9510 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 :: 8.3150 HA :: 4.4420 HB2 :: 1.7770 HG2 :: 1.6420 HD2 :: 3.1260 HE :: 7.2610 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 :: 124.2500 NE :: 85.3970 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.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 176.5890 CA :: 62.6230 CB :: 32.1770 CG :: 27.4610 CD :: 50.4090 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 :: 4.3520 HB2 :: 2.1780 HB3 :: 1.8110 HG2 :: 1.9460 HG3 :: 1.8420 HD2 :: 3.6880 HD3 :: 3.5570 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.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.28 C 0.23 M 0.06 E 0.05 R 0.03 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> C :: 175.8290 CA :: 55.8300 CB :: 29.2660 CG :: 33.6720 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 :: 8.6280 HA :: 4.1150 HB2 :: 2.0110 HB3 :: 1.9150 HG2 :: 2.3370 HE21 :: 7.5020 HE22 :: 6.7800 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 :: 122.7470 NE2 :: 113.9270 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> C :: 177.2770 CA :: 52.3310 CB :: 19.2210 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3060 HA :: 4.1950 HB1 :: 1.2960 HB2 :: 1.2960 HB3 :: 1.2960 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.1540 Ave N Shift Values>> N :: 123.23(3.54) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.11 D 0.11 Y 0.07 F 0.06 L 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 174.8770 CA :: 53.2180 CB :: 38.1540 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 :: 8.3990 HA :: 4.4920 HB2 :: 2.7190 HD21 :: 7.5140 HD22 :: 6.8170 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 :: 118.5000 ND2 :: 113.7130 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.24 M 0.21 K 0.16 E 0.06 HN Overlap>> 1.E64 1.V39 1.E64 1.V39 C Shift Assignments>> C :: 175.3950 CA :: 55.4930 CB :: 30.4170 CG :: 33.7720 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 :: 7.9620 HA :: 4.2080 HB2 :: 1.9450 HB3 :: 1.8050 HG2 :: 2.2390 HG3 :: 2.1650 HE21 :: 7.5040 HE22 :: 6.9630 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 :: 120.7660 NE2 :: 113.6030 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.36 R 0.16 C Shift Assignments>> C :: 175.6410 CA :: 56.1020 CB :: 31.9940 CG :: 24.5930 CD :: 28.6090 CE :: 41.8040 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 :: 8.4430 HA :: 4.1880 HB2 :: 1.7120 HB3 :: 1.6610 HG2 :: 1.3520 HG3 :: 1.2470 HD2 :: 1.6130 HE2 :: 2.9090 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 :: 125.4730 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R54 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.33 R 0.15 C Shift Assignments>> C :: 177.4410 CA :: 56.3480 CB :: 31.7890 CG :: 27.4610 CD :: 41.2300 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 :: 8.1710 HA :: 4.3700 HB2 :: 1.9800 HB3 :: 1.5470 HG2 :: 1.2830 HG3 :: 1.1170 HD2 :: 2.4570 HD3 :: 1.3480(S) HE :: 5.8140 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 :: 126.5600 NE :: 83.2080 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>> (HD3 > HB2 : 0.9950) (HD3 > HB3 : 0.9958) 1.I55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 178.0460 CA :: 61.3220 CB :: 40.1610 CG1 :: 26.3140 CG2 :: 18.2820 CD1 :: 14.2660 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 :: 11.1260(S) HA :: 4.6000 HB :: 2.1100 HG12 :: 1.3250 HG13 :: 1.2930 HG21 :: 0.8530 HG22 :: 0.8530 HG23 :: 0.8530 HD11 :: 0.8340 HD12 :: 0.8340 HD13 :: 0.8340 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 :: 122.2830 Ave N Shift Values>> N :: 121.46(4.28) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 173.3820 CA :: 62.1840 CB :: 69.9590 CG2 :: 22.8720 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 :: 8.7140 HA :: 4.4970 HB :: 4.4300 HG21 :: 1.2830 HG22 :: 1.2830 HG23 :: 1.2830 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 :: 117.2460 Ave N Shift Values>> N :: 115.42(4.75) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.21 A 0.01 C Shift Assignments>> C :: 173.5070 CA :: 58.8170 CB :: 69.4860 CG2 :: 21.1510 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 :: 7.9670 HA :: 4.4960 HB :: 4.3100 HG21 :: 1.3160 HG22 :: 1.3160 HG23 :: 1.3160 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 :: 112.0580 Ave N Shift Values>> N :: 115.42(4.75) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.3 C Shift Assignments>> C :: 174.6300 CA :: 63.5560 CB :: 30.0720 CG :: 27.4610 CD :: 50.9820 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 :: 3.7620 HB2 :: 2.1530 HB3 :: 2.0730 HG2 :: 2.0430 HG3 :: 1.5310 HD2 :: 3.7300 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.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 175.3660 CA :: 56.9520 CB :: 39.4930 CD1 :: 133.2960 CE1 :: 118.2460 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 :: 7.2740 HA :: 4.5900 HB2 :: 2.7800 HB3 :: 2.5310 HD1 :: 6.9110 HE1 :: 6.7420 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 :: 120.2870 Ave N Shift Values>> N :: 120.52(4.2) 1.M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.35 A 0.18 C Shift Assignments>> C :: 176.8660 CA :: 55.5750 CB :: 34.4970 CG :: 32.6250 CE :: 17.7090 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 :: 8.2550 HA :: 4.2850 HB2 :: 1.9260 HB3 :: 1.7790 HG2 :: 2.9030 HG3 :: 2.4240 HE1 :: 1.9250 HE2 :: 1.9250 HE3 :: 1.9250 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 :: 124.8520 Ave N Shift Values>> N :: 120.09(3.57) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.09 C Shift Assignments>> C :: 175.2070 CA :: 61.4770 CB :: 70.1700 CG2 :: 21.1510 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 :: 9.3400 HA :: 4.4110 HB :: 4.8040 HG21 :: 1.2130 HG22 :: 1.2130 HG23 :: 1.2130 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 :: 124.5560 Ave N Shift Values>> N :: 115.42(4.75) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.45 R 0.05 C Shift Assignments>> C :: 179.4160 CA :: 60.1360 CB :: 32.0570 CG :: 25.1660 CD :: 29.1830 CE :: 41.8040 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 :: 8.8140 HA :: 3.9180 HB2 :: 1.8670 HB3 :: 1.8000 HG2 :: 1.5390 HG3 :: 1.4160 HD2 :: 1.6840 HE2 :: 2.9610 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 :: 123.0290 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 177.5350 CA :: 61.0630 CB :: 38.3760 CD1 :: 133.6580 CE1 :: 118.3820 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 :: 8.7150 HA :: 4.1160 HB2 :: 3.1290 HB3 :: 2.8590 HD1 :: 7.0100 HE1 :: 6.7890 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 :: 123.2090 Ave N Shift Values>> N :: 120.52(4.2) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.3 E 0.11 HN Overlap>> 1.Q52 1.Q52 1.V39 1.V39 C Shift Assignments>> C :: 178.2130 CA :: 59.8020 CB :: 30.1630 CG :: 38.3610 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 :: 8.0360 HA :: 3.2910 HB2 :: 1.4950 HB3 :: 2.3660 HG2 :: 2.4830 HG3 :: 2.0800 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 :: 120.7320 Ave N Shift Values>> N :: 120.67(3.48) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.39 G 0.1 K 0.02 C Shift Assignments>> C :: 177.4270 CA :: 60.2010 CB :: 30.3360 CG :: 27.4610 CD :: 43.5250 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 :: 8.4350 HA :: 3.7890 HB2 :: 1.8780 HB3 :: 1.7170 HG2 :: 1.4970 HG3 :: 1.3950 HD2 :: 3.1160 HE :: 7.2740 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 :: 119.9080 NE :: 85.3520 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.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.33 I 0.03 C 0.02 C Shift Assignments>> C :: 181.6780 CA :: 55.1680 CB :: 17.7330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4780 HA :: 3.9460 HB1 :: 1.4040 HB2 :: 1.4040 HB3 :: 1.4040 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4410 Ave N Shift Values>> N :: 123.23(3.54) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.35 L 0.13 R 0.08 C Shift Assignments>> C :: 179.7350 CA :: 57.4340 CB :: 28.7480 CG :: 26.3140 CD :: 41.2300 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 :: 7.9220 HA :: 4.0090 HB2 :: 1.6300 HG2 :: 1.1540 HD2 :: 2.9610 HD3 :: 2.9100 HE :: 7.1840 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 :: 119.9500 NE :: 84.0030 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.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 177.1640 CA :: 67.2950 CB :: 31.5540 CG1 :: 21.7240 CG2 :: 24.5930 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 :: 9.1340 HA :: 3.2910 HB :: 2.1950 HG11 :: 0.7770 HG12 :: 0.7770 HG13 :: 0.7770 HG21 :: 0.9140 HG22 :: 0.9140 HG23 :: 0.9140 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 :: 124.5840 Ave N Shift Values>> N :: 121.14(4.54) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.43 R 0.04 C Shift Assignments>> C :: 178.8560 CA :: 58.0870 CB :: 41.5270 CG :: 26.8870 CD1 :: 26.3140 CD2 :: 23.4450 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 :: 8.2670 HA :: 3.7500 HB2 :: 1.2040 HB3 :: 1.8540 HG :: 1.7770 HD11 :: 0.8080 HD12 :: 0.8080 HD13 :: 0.8080 HD21 :: 0.7120 HD22 :: 0.7120 HD23 :: 0.7120 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 :: 119.0930 Ave N Shift Values>> N :: 121.86(3.9) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 177.0110 CA :: 47.0260 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1100 HA2 :: 3.8870 HA3 :: 3.6880 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.7310 Ave N Shift Values>> N :: 109.67(3.87) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.L93 1.L93 C Shift Assignments>> C :: 176.4950 CA :: 67.0730 CB :: 68.8120 CG2 :: 20.5770 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 :: 7.9810 HA :: 3.9250 HB :: 4.0490 HG21 :: 1.1010 HG22 :: 1.1010 HG23 :: 1.1010 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 :: 119.4760 Ave N Shift Values>> N :: 115.42(4.75) 1.R72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.4 C 0.34 R 0.16 L 0.06 G 0.01 HN Overlap>> 1.I95 1.E89 1.I95 1.E89 C Shift Assignments>> C :: 177.4500 CA :: 57.0730 CB :: 29.4700 CG :: 25.1660 CD :: 42.3770 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 :: 8.4110 HA :: 3.9410 HB2 :: 1.6310 HB3 :: 2.0310 HG2 :: 1.8910 HG3 :: 1.5840 HD2 :: 3.7470 HD3 :: 2.5730 HE :: 11.3700(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.6150 NE :: 87.9980 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.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.24 I 0.05 C 0.02 C Shift Assignments>> C :: 179.5140 CA :: 55.5680 CB :: 17.5040 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8040 HA :: 3.8080 HB1 :: 1.3740 HB2 :: 1.3740 HB3 :: 1.3740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.4650 Ave N Shift Values>> N :: 123.23(3.54) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.4 C Shift Assignments>> C :: 178.8840 CA :: 57.8760 CB :: 41.3500 CG :: 26.8870 CD1 :: 24.5930 CD2 :: 24.1910 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 :: 7.1060 HA :: 4.0560 HB2 :: 1.7650 HG :: 1.7430 HD11 :: 0.9150 HD12 :: 0.9150 HD13 :: 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 :: 118.7350 Ave N Shift Values>> N :: 121.86(3.9) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.2 R 0.17 K 0.17 I 0.01 M 0.01 E 0.01 C Shift Assignments>> C :: 179.7270 CA :: 58.8390 CB :: 27.4270 CG :: 33.1980 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 :: 7.4220 HA :: 3.9330 HB2 :: 1.8110 HB3 :: 2.4390 HG2 :: 2.3820 HG3 :: 2.7480 HE21 :: 7.5730 HE22 :: 6.0050 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 :: 123.3160 NE2 :: 108.9190 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 HN Overlap>> 1.E8 1.E8 1.E85 1.E85 C Shift Assignments>> C :: 180.2850 CA :: 65.3700 CB :: 38.2030 CG1 :: 28.6090 CG2 :: 16.5610 CD1 :: 14.2660 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 :: 8.3730 HA :: 3.5230 HB :: 1.8690 HG12 :: 1.6500 HG21 :: 0.8760 HG22 :: 0.8760 HG23 :: 0.8760 HD11 :: 0.8420 HD12 :: 0.8420 HD13 :: 0.8420 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 :: 121.8660 Ave N Shift Values>> N :: 121.46(4.28) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.43 I 0.02 C 0.02 C Shift Assignments>> C :: 178.6360 CA :: 54.7550 CB :: 17.9430 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4790 HA :: 4.1940 HB1 :: 1.5710 HB2 :: 1.5710 HB3 :: 1.5710 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.1240 Ave N Shift Values>> N :: 123.23(3.54) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.32 A 0.16 C Shift Assignments>> C :: 175.4780 CA :: 54.7790 CB :: 31.2100 CG :: 32.0510 CE :: 16.5610 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 :: 7.4710 HA :: 4.6390 HB2 :: 2.3880 HB3 :: 2.0860 HG2 :: 2.7780 HG3 :: 2.6100 HE1 :: 2.0660 HE2 :: 2.0660 HE3 :: 2.0660 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 :: 117.3000 Ave N Shift Values>> N :: 120.09(3.57) 1.C79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.23 I 0.13 V 0.13 L 0.06 T 0.04 R 0.01 W 0.01 C Shift Assignments>> C :: 174.4890 CA :: 60.6930 CB :: 24.3180 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.8980 HA :: 4.0260 HB2 :: 3.2860 HB3 :: 3.1970 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 :: 111.6940 Ave N Shift Values>> N :: 120.17(4.64) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C Shift Assignments>> C :: 175.0960 CA :: 51.3210 CB :: 17.9420 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9710 HA :: 4.3880 HB1 :: 1.1420 HB2 :: 1.1420 HB3 :: 1.1420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.5760 Ave N Shift Values>> N :: 123.23(3.54) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.8470 CA :: 62.9000 CB :: 31.5830 CG :: 28.0350 CD :: 50.4090 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 :: 4.2430 HB2 :: 2.2420 HB3 :: 1.7630 HG2 :: 2.0260 HG3 :: 2.0190 HD2 :: 3.7860 HD3 :: 3.6020 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.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 177.6820 CA :: 61.8880 CB :: 33.2630 CG1 :: 22.2980 CG2 :: 21.7240 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 :: 8.2720 HA :: 3.8720 HB :: 2.0110 HG11 :: 1.0800 HG12 :: 1.0800 HG13 :: 1.0800 HG21 :: 1.0290 HG22 :: 1.0290 HG23 :: 1.0290 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 :: 123.2700 Ave N Shift Values>> N :: 121.14(4.54) 1.M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 A 0.28 C 0.26 C Shift Assignments>> C :: 175.8000 CA :: 54.6110 CB :: 33.2540 CG :: 32.6250 CE :: 17.7090 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 :: 9.8380 HA :: 4.6140 HB2 :: 2.2220 HB3 :: 1.8170 HG2 :: 2.7580 HG3 :: 2.3210 HE1 :: 1.9680 HE2 :: 1.9680 HE3 :: 1.9680 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 :: 123.4060 Ave N Shift Values>> N :: 120.09(3.57) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.04 A 0.03 C Shift Assignments>> C :: 174.2790 CA :: 58.0840 CB :: 35.3550 CG1 :: 22.2980 CG2 :: 17.7090 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 :: 6.9380 HA :: 4.4960 HB :: 2.1180 HG11 :: 0.7120 HG12 :: 0.7120 HG13 :: 0.7120 HG21 :: 0.5890 HG22 :: 0.5890 HG23 :: 0.5890 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 :: 110.8340 Ave N Shift Values>> N :: 121.14(4.54) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.31 K 0.11 Q 0.09 M 0.04 I 0.03 HN Overlap>> 1.E8 1.I76 1.E8 1.I76 C Shift Assignments>> C :: 176.8990 CA :: 56.5210 CB :: 29.5600 CG :: 36.0670 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 :: 8.3260 HA :: 4.0960 HB2 :: 1.9710 HB3 :: 1.8590 HG2 :: 2.2790 HG3 :: 2.2370 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 :: 121.9140 Ave N Shift Values>> N :: 120.67(3.48) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 R 0.05 G 0.01 HN Overlap>> 1.I41 1.I41 C Shift Assignments>> C :: 177.7040 CA :: 55.7170 CB :: 42.3300 CG :: 26.8870 CD1 :: 24.0190 CD2 :: 25.1660 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 :: 8.5360 HA :: 4.1280 HB2 :: 1.6220 HB3 :: 1.8060 HG :: 1.7160 HD11 :: 0.7900 HD12 :: 0.7900 HD13 :: 0.7900 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 :: 125.3490 Ave N Shift Values>> N :: 121.86(3.9) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.41 I 0.05 K 0.05 M 0.03 Q 0.01 C Shift Assignments>> C :: 176.4290 CA :: 55.4320 CB :: 29.4030 CG :: 37.2140 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 :: 9.5090 HA :: 4.1260 HB2 :: 2.1170 HB3 :: 1.8480 HG2 :: 2.0770 HG3 :: 1.9590 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 :: 121.8000 Ave N Shift Values>> N :: 120.67(3.48) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 174.3900 CA :: 45.0280 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0590 HA2 :: 4.0870 HA3 :: 3.5150 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7010 Ave N Shift Values>> N :: 109.67(3.87) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.38 I 0.06 M 0.06 K 0.04 Q 0.02 HN Overlap>> 1.R72 1.R72 C Shift Assignments>> C :: 176.1950 CA :: 57.8080 CB :: 30.1730 CG :: 36.6400 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 :: 8.4350 HA :: 4.1100 HB2 :: 1.7450 HB3 :: 2.0430 HG2 :: 2.2300 HG3 :: 2.1870 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 :: 122.5960 Ave N Shift Values>> N :: 120.67(3.48) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.6070 CA :: 61.3130 CB :: 70.9840 CG2 :: 21.1510 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 :: 8.4310 HA :: 4.3920 HB :: 4.2520 HG21 :: 1.0990 HG22 :: 1.0990 HG23 :: 1.0990 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 :: 112.1030 Ave N Shift Values>> N :: 115.42(4.75) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.28 R 0.13 K 0.06 G 0.06 N 0.05 C 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 174.8770 CA :: 52.0090 CB :: 42.6900 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 :: 8.4640 HA :: 4.8760 HB2 :: 2.8380 HB3 :: 2.6650 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 :: 128.3850 Ave N Shift Values>> N :: 120.65(3.86) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.5990 CA :: 65.9470 CB :: 32.8470 CG :: 27.4610 CD :: 50.9820 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 :: 4.0150 HB2 :: 2.4780 HB3 :: 2.1460 HG2 :: 2.1260 HG3 :: 1.9480 HD2 :: 4.2690 HD3 :: 3.8370 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.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.46 R 0.01 HN Overlap>> 1.T71 1.T71 C Shift Assignments>> C :: 178.8280 CA :: 57.8620 CB :: 41.1830 CG :: 27.4610 CD1 :: 24.0190 CD2 :: 25.1660 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 :: 7.9880 HA :: 4.0420 HB2 :: 1.7640 HB3 :: 1.5230 HG :: 1.5360 HD11 :: 0.8730 HD12 :: 0.8730 HD13 :: 0.8730 HD21 :: 0.8470 HD22 :: 0.8470 HD23 :: 0.8470 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 :: 119.4110 Ave N Shift Values>> N :: 121.86(3.9) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.45 R 0.01 C Shift Assignments>> C :: 181.2250 CA :: 57.6260 CB :: 40.8690 CG :: 28.0340 CD1 :: 25.1660 CD2 :: 22.8720 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 :: 7.5430 HA :: 4.0680 HB2 :: 1.5230 HB3 :: 1.9020 HG :: 1.6990 HD11 :: 0.9720 HD12 :: 0.9720 HD13 :: 0.9720 HD21 :: 0.8650 HD22 :: 0.8650 HD23 :: 0.8650 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 :: 120.6400 Ave N Shift Values>> N :: 121.86(3.9) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 HN Overlap>> 1.R72 1.R72 C Shift Assignments>> C :: 177.1360 CA :: 66.3140 CB :: 37.6080 CG1 :: 29.1830 CG2 :: 19.4300 CD1 :: 13.6930 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 :: 8.3200 HA :: 3.2850 HB :: 1.7200 HG12 :: 0.5690 HG21 :: 0.7870 HG22 :: 0.7870 HG23 :: 0.7870 HD11 :: 0.5710 HD12 :: 0.5710 HD13 :: 0.5710 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 :: 122.6430 Ave N Shift Values>> N :: 121.46(4.28) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.35 I 0.04 C 0.02 C Shift Assignments>> C :: 179.5720 CA :: 55.2240 CB :: 17.9850 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2010 HA :: 4.0840 HB1 :: 1.4290 HB2 :: 1.4290 HB3 :: 1.4290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.2660 Ave N Shift Values>> N :: 123.23(3.54) 1.M97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.37 HN Overlap>> 1.S5 1.S5 C Shift Assignments>> C :: 178.1810 CA :: 59.2060 CB :: 32.5050 CG :: 33.1980 CE :: 17.1350 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 :: 8.2630 HA :: 3.9100 HB2 :: 2.1630 HG2 :: 2.7010 HG3 :: 2.5030 HE1 :: 2.0170 HE2 :: 2.0170 HE3 :: 2.0170 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 :: 117.5320 Ave N Shift Values>> N :: 120.09(3.57) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.39 R 0.11 C Shift Assignments>> C :: 180.2950 CA :: 59.9230 CB :: 33.0740 CG :: 25.7400 CD :: 29.7560 CE :: 41.8040 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 :: 7.7940 HA :: 3.9300 HB2 :: 1.9740 HG2 :: 1.6080 HG3 :: 1.3320 HD2 :: 1.5700 HD3 :: 1.4960 HE2 :: 2.9670 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 :: 124.1900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.18 E 0.12 M 0.02 C Shift Assignments>> C :: 179.2860 CA :: 59.7230 CB :: 30.9580 CG :: 38.3610 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 :: 8.4260 HA :: 3.6200 HB2 :: 2.5210 HB3 :: 1.5090 HG2 :: 2.4810 HG3 :: 1.6830 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 :: 120.6680 Ave N Shift Values>> N :: 120.67(3.48) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.46 R 0.03 HN Overlap>> 1.N38 1.N38 1.Q49 1.Q49 C Shift Assignments>> C :: 180.0690 CA :: 58.5860 CB :: 41.5710 CG :: 26.3140 CD1 :: 24.5930 CD2 :: 26.3140 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 :: 8.6740 HA :: 3.8460 HB2 :: 2.1710 HB3 :: 1.5070 HG :: 1.5660 HD11 :: 0.8530 HD12 :: 0.8530 HD13 :: 0.8530 HD21 :: 0.8920 HD22 :: 0.8920 HD23 :: 0.8920 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 :: 122.7400 Ave N Shift Values>> N :: 121.86(3.9) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.07 HN Overlap>> 1.D14 1.D14 1.D15 1.D15 C Shift Assignments>> C :: 177.5580 CA :: 59.2200 CB :: 32.0400 CG :: 25.1660 CD :: 29.1830 CE :: 41.8040 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 :: 8.1650 HA :: 3.8940 HB2 :: 1.8800 HG2 :: 1.5540 HG3 :: 1.4470 HD2 :: 1.6690 HE2 :: 2.9510 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 :: 121.4030 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.01 C Shift Assignments>> C :: 175.7680 CA :: 51.9730 CB :: 19.0700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3440 HA :: 4.2660 HB1 :: 1.3690 HB2 :: 1.3690 HB3 :: 1.3690 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.2720 Ave N Shift Values>> N :: 123.23(3.54) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 L 0.34 R 0.16 G 0.09 K 0.04 C Shift Assignments>> C :: 175.9570 CA :: 56.8310 CB :: 26.7120 CG :: 27.4610 CD :: 43.5250 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 :: 7.9320 HA :: 3.8030 HB2 :: 1.9150 HB3 :: 2.2650 HG2 :: 1.6510 HD2 :: 3.3110 HD3 :: 3.2650 HE :: 7.2200 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 :: 115.0850 NE :: 86.4290 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.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 C 0.35 R 0.04 C Shift Assignments>> C :: 175.4540 CA :: 54.2670 CB :: 34.5450 CG :: 24.5930 CD :: 28.6090 CE :: 41.8030 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 :: 7.9770 HA :: 4.4330 HB2 :: 2.0110 HB3 :: 1.1600 HG2 :: 1.3840 HG3 :: 1.2690 HD2 :: 1.6640 HD3 :: 1.5460 HE2 :: 3.0010 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 :: 116.5860 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.46 A 0.01 C Shift Assignments>> C :: 175.0410 CA :: 58.3580 CB :: 39.7410 CG1 :: 28.6090 CG2 :: 17.1350 CD1 :: 14.8400 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 :: 7.1960 HA :: 4.2260 HB :: 1.4950 HG12 :: 0.9750 HG21 :: 0.8780 HG22 :: 0.8780 HG23 :: 0.8780 HD11 :: 0.8110 HD12 :: 0.8110 HD13 :: 0.8110 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 :: 121.1020 Ave N Shift Values>> N :: 121.46(4.28) 1.P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.92 P 0.07 C Shift Assignments>> C :: 175.1600 CA :: 62.7990 CB :: 27.9980 CG :: 27.4610 CD :: 50.9820 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 :: 4.8060 HB2 :: 2.3860 HB3 :: 1.7370 HG2 :: 2.0900 HG3 :: 1.8970 HD2 :: 3.8100 HD3 :: 3.3970 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.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.15 G 0.02 A 0.01 C Shift Assignments>> C :: 174.0020 CA :: 58.6760 CB :: 42.3100 CG1 :: 28.0350 CG2 :: 20.0030 CD1 :: 12.5450 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 :: 7.8190 HA :: 4.7420 HB :: 1.5260 HG12 :: 1.2860 HG13 :: 1.0530 HG21 :: 0.7890 HG22 :: 0.7890 HG23 :: 0.7890 HD11 :: 0.6810 HD12 :: 0.6810 HD13 :: 0.6810 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 :: 123.8700 Ave N Shift Values>> N :: 121.46(4.28) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 174.1470 CA :: 59.1000 CB :: 40.8830 CG1 :: 27.4610 CG2 :: 17.7090 CD1 :: 13.1190 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 :: 8.8970 HA :: 4.5990 HB :: 1.6030 HG12 :: 1.3280 HG13 :: 0.9670 HG21 :: 0.7090 HG22 :: 0.7090 HG23 :: 0.7090 HD11 :: 0.7030 HD12 :: 0.7030 HD13 :: 0.7030 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 :: 126.4270 Ave N Shift Values>> N :: 121.46(4.28) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 173.3030 CA :: 60.6370 CB :: 39.9800 CG1 :: 28.0350 CG2 :: 18.2820 CD1 :: 14.8400 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 :: 9.0990 HA :: 4.3830 HB :: 1.7270 HG12 :: 1.4220 HG21 :: 0.7760 HG22 :: 0.7760 HG23 :: 0.7760 HD11 :: 0.6490 HD12 :: 0.6490 HD13 :: 0.6490 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 :: 125.1150 Ave N Shift Values>> N :: 121.46(4.28) 1.R110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.39 C 0.31 R 0.27 G 0.01 C Shift Assignments>> C :: 175.0690 CA :: 54.7270 CB :: 31.8390 CG :: 25.7400 CD :: 42.3770 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 :: 9.0610 HA :: 5.2420 HB2 :: 1.6480 HB3 :: 1.5260 HG2 :: 1.0190 HG3 :: 0.6450 HD2 :: 2.4060 HD3 :: 2.1890(S) HE :: 10.0270(S) 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 :: 130.7260 NE :: 90.0510 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.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 G 0.36 R 0.21 C Shift Assignments>> C :: 175.8380 CA :: 55.4120 CB :: 32.5120 CG :: 27.4610 CD :: 44.6720 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 :: 9.2260 HA :: 4.7260 HB2 :: 2.0060 HB3 :: 1.8270 HG2 :: 1.7380 HG3 :: 1.6110 HD2 :: 2.9370 HD3 :: 2.8920 HE :: 9.1610 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 :: 127.6880 NE :: 83.6940 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.Y112 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>> C :: 176.3830 CA :: 58.9010 CB :: 39.3430 CD1 :: 133.6580 CE1 :: 117.7560 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 :: 8.2410 HA :: 4.8390 HB2 :: 3.0160 HB3 :: 2.7890 HD1 :: 7.0110 HE1 :: 6.6070 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 :: 121.7280 Ave N Shift Values>> N :: 120.52(4.2) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.35 A 0.07 C Shift Assignments>> C :: 177.9420 CA :: 53.1390 CB :: 40.4190 CG :: 28.6090 CD1 :: 24.5930 CD2 :: 23.4450 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 :: 8.9930 HA :: 4.7670 HB2 :: 1.6540 HB3 :: 1.7540 HG :: 1.6540 HD11 :: 0.8610 HD12 :: 0.8610 HD13 :: 0.8610 HD21 :: 0.8100 HD22 :: 0.8100 HD23 :: 0.8100 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 :: 126.9190 Ave N Shift Values>> N :: 121.86(3.9) 1.P114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 176.7160 CA :: 65.3690 CB :: 31.7760 CG :: 27.4610 CD :: 50.9820 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 :: 4.3210 HB2 :: 2.4070 HB3 :: 1.9280 HG2 :: 2.0960 HG3 :: 2.0180 HD2 :: 3.8510 HD3 :: 3.7660 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.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.28 L 0.09 F 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 177.2570 CA :: 53.3420 CB :: 39.7110 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 :: 7.5260 HA :: 4.4970 HB2 :: 2.5820 HB3 :: 3.0550 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 :: 114.7220 Ave N Shift Values>> N :: 120.65(3.86) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.8460 CA :: 45.2460 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3610 HA2 :: 4.4050 HA3 :: 3.8000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4330 Ave N Shift Values>> N :: 109.67(3.87) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.3600 CA :: 58.5970 CB :: 64.0870 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0930 HA :: 4.4390 HB2 :: 3.8350 HB3 :: 3.9500 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 :: 118.6370 Ave N Shift Values>> N :: 116.28(3.52) 1.Y118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 174.6030 CA :: 55.5650 CB :: 41.1230 CD1 :: 133.9250 CE1 :: 118.0320 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 :: 7.5640 HA :: 5.6460 HB2 :: 2.2600 HB3 :: 2.2140 HD1 :: 6.7060 HE1 :: 6.7340 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 :: 113.5970 Ave N Shift Values>> N :: 120.52(4.2) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 M 0.18 E 0.06 C Shift Assignments>> C :: 173.6870 CA :: 54.2700 CB :: 34.2930 CG :: 36.0670 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 :: 8.9970 HA :: 4.5340 HB2 :: 1.9120 HB3 :: 1.8730 HG2 :: 2.3470 HG3 :: 2.2770 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 :: 118.6310 Ave N Shift Values>> N :: 120.67(3.48) 1.D120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.3 D 0.27 R 0.12 K 0.11 F 0.05 N 0.04 C 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 176.5070 CA :: 53.3960 CB :: 42.4010 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 :: 8.5090 HA :: 5.7290(S) HB2 :: 2.4130 HB3 :: 2.1890 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 :: 125.0320 Ave N Shift Values>> N :: 120.65(3.86) 1.W121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 W 0.42 C Shift Assignments>> C :: 175.8710 CA :: 56.0770 CB :: 31.2430 CD1 :: 124.1270 CE3 :: 120.4490 CZ2 :: 115.9120 CZ3 :: 121.4180 CH2 :: 123.6150 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 :: 9.5700 HA :: 4.3390 HB2 :: 2.9650 HB3 :: 2.8630 HD1 :: 6.8780 HE1 :: 9.8310 HE3 :: 7.1780 HZ2 :: 7.1040 HZ3 :: 6.9150 HH2 :: 6.8910 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 :: 125.1190 NE1 :: 128.0050 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 176.3600 CA :: 45.1070 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.9380 HA2 :: 4.4670 HA3 :: 3.8050 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.7350 Ave N Shift Values>> N :: 109.67(3.87) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 176.3180 CA :: 66.6380 CB :: 31.0570 CG1 :: 22.2980 CG2 :: 24.0190 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 :: 8.4360 HA :: 3.5640 HB :: 2.0980 HG11 :: 0.9040 HG12 :: 0.9040 HG13 :: 0.9040 HG21 :: 0.9520 HG22 :: 0.9520 HG23 :: 0.9520 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 :: 124.4790 Ave N Shift Values>> N :: 121.14(4.54) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 D 0.21 F 0.15 Y 0.15 C 0.1 L 0.09 I 0.01 C Shift Assignments>> C :: 176.3010 CA :: 55.0050 CB :: 39.3490 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 :: 8.7370 HA :: 4.2690 HB2 :: 2.7030 HB3 :: 2.8140 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 :: 115.3440 Ave N Shift Values>> N :: 120.65(3.86) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 M 0.09 E 0.09 C Shift Assignments>> C :: 176.1600 CA :: 56.6350 CB :: 32.6990 CG :: 38.3610 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 :: 7.7350 HA :: 4.3830 HB2 :: 2.4090 HB3 :: 2.7150 HG2 :: 2.3750 HG3 :: 2.1330 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 :: 118.8200 Ave N Shift Values>> N :: 120.67(3.48) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.2 L 0.13 A 0.04 R 0.03 C Shift Assignments>> C :: 176.1390 CA :: 53.5800 CB :: 44.9120 CG :: 26.3140 CD1 :: 23.4450 CD2 :: 27.4610 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 :: 7.0740 HA :: 4.3890 HB2 :: 1.0580 HB3 :: 1.6860 HG :: 1.7490 HD21 :: 0.5750 HD22 :: 0.5750 HD23 :: 0.5750 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 :: 119.8870 Ave N Shift Values>> N :: 121.86(3.9) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.2950 CA :: 61.7390 CB :: 37.9190 CG1 :: 27.4610 CG2 :: 17.7090 CD1 :: 12.5450 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 :: 8.6340 HA :: 3.9330 HB :: 1.2100 HG12 :: 1.4040 HG13 :: 0.8650 HG21 :: 0.7860 HG22 :: 0.7860 HG23 :: 0.7860 HD11 :: 0.4040 HD12 :: 0.4040 HD13 :: 0.4040 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 :: 122.9470 Ave N Shift Values>> N :: 121.46(4.28) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.9190 CA :: 60.6790 CB :: 39.3630 CG1 :: 27.4610 CG2 :: 17.7090 CD1 :: 13.6930 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 :: 8.4500 HA :: 4.3110 HB :: 1.8020 HG12 :: 1.5000 HG13 :: 1.1040 HG21 :: 0.8670 HG22 :: 0.8670 HG23 :: 0.8670 HD11 :: 0.8210 HD12 :: 0.8210 HD13 :: 0.8210 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 :: 130.1710 Ave N Shift Values>> N :: 121.46(4.28) 1.T129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.4870 CA :: 61.3860 CB :: 69.9540 CG2 :: 21.1510 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 :: 8.3820 HA :: 4.3780 HB :: 4.2450 HG21 :: 1.2130 HG22 :: 1.2130 HG23 :: 1.2130 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 :: 121.0130 Ave N Shift Values>> N :: 115.42(4.75) 1.D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.21 D 0.14 R 0.14 F 0.1 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 180.7330 CA :: 56.0920 CB :: 42.2360 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 :: 8.0280 HA :: 4.3310 HB2 :: 2.6270 HB3 :: 2.4490 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 :: 129.3410 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 125 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 127 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 129 #Suspicious: 1 C Shift Results: #Consistent: 548 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 819 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 136 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R54 HD3 = 1.3480(S), Expected = 3.10, Std = 0.2600, ChiSquare = 1.6007e-11 1.R54 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R54 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.I55 H = 11.1260(S), Expected = 8.28, Std = 0.6800, ChiSquare = 2.8480e-05 1.R72 HE = 11.3700(S), Expected = 7.40, Std = 0.6300, ChiSquare = 2.9461e-10 1.R110 HD3 = 2.1890(S), Expected = 3.10, Std = 0.2600, ChiSquare = 4.5859e-04 1.R110 HE = 10.0270(S), Expected = 7.40, Std = 0.6300, ChiSquare = 3.0481e-05 1.D120 HA = 5.7290(S), Expected = 4.59, Std = 0.3200, ChiSquare = 3.7174e-04