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 0.99 C Shift Assignments>> C :: 173.8720 CB :: 30.9110 CG :: 29.7200 CE :: 16.9160 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>> HB2 :: 2.6900 HB3 :: 2.5780 HE1 :: 2.1060 HE2 :: 2.1060 HE3 :: 2.1060 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.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.25 C 0.23 M 0.09 E 0.06 R 0.02 HN Overlap>> 1.Y5 1.Y5 C Shift Assignments>> C :: 175.3690 CA :: 55.7500 CB :: 29.6990 CG :: 33.7520 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 :: 8.4190 HA :: 4.5040 HB2 :: 1.9850 HB3 :: 2.0740 HG2 :: 2.3590 HG3 :: 2.3590 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 :: 123.5300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.9310 CA :: 62.2900 CB :: 32.8860 CG1 :: 21.2500 CG2 :: 20.6700 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 :: 8.4190 HA :: 4.1960 HB :: 2.0400 HG11 :: 0.8660 HG12 :: 0.8660 HG13 :: 0.8660 HG21 :: 0.9220 HG22 :: 0.9220 HG23 :: 0.9220 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 :: 122.9910 Ave N Shift Values>> N :: 121.14(4.54) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.9090 CA :: 61.4100 CB :: 70.2920 CG2 :: 21.9590 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 :: 8.1700 HA :: 4.4190 HB :: 4.0860 HG21 :: 1.1200 HG22 :: 1.1200 HG23 :: 1.1200 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 :: 118.0380 Ave N Shift Values>> N :: 115.42(4.75) 1.Y5 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.Q2 1.Q2 C Shift Assignments>> C :: 175.4730 CA :: 57.8800 CB :: 39.2280 CD1 :: 118.2760(S) CD2 :: 118.2760(S) CE1 :: 133.4140(S) CE2 :: 133.4140(S) 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 :: 8.3930 HA :: 4.6110 HB2 :: 2.9710 HD1 :: 7.1220 HD2 :: 7.1220 HE1 :: 6.8180 HE2 :: 6.8180 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 :: 123.5820 Ave N Shift Values>> N :: 120.52(4.2) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.38 R 0.15 C Shift Assignments>> C :: 176.5480 CA :: 56.5000 CB :: 32.4430 CG :: 24.7310 CD :: 29.0690 CE :: 42.1850 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 :: 8.3810 HA :: 4.1750 HB2 :: 1.8020 HB3 :: 1.8020 HG2 :: 1.2510 HG3 :: 1.2510 HD2 :: 1.6330 HD3 :: 1.6330 HE2 :: 2.9590 HE3 :: 2.9590 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 :: 124.8220 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.4850 CA :: 45.0740 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8880 HA2 :: 3.8490 HA3 :: 3.9450 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6320 Ave N Shift Values>> N :: 109.67(3.87) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 C 0.28 G 0.13 K 0.02 C Shift Assignments>> CA :: 53.8560 CB :: 30.4150 CG :: 26.7930 CD :: 43.5900 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 :: 8.0200 HA :: 4.6740 HB2 :: 1.7510 HB3 :: 1.8590 HG2 :: 1.6820 HG3 :: 1.6820 HD2 :: 3.1850 HD3 :: 3.1850 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 :: 121.4330 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.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.6990 CA :: 63.0600 CB :: 32.0730 CG :: 27.4440 CD :: 50.6000 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 :: 4.4800 HB2 :: 2.2570 HB3 :: 1.8510 HG2 :: 2.0000 HG3 :: 2.0000 HD2 :: 3.6220 HD3 :: 3.8250 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.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 HN Overlap>> 1.Y86 1.Y86 C Shift Assignments>> C :: 175.9530 CA :: 61.0990 CB :: 38.9420 CG1 :: 27.4300 CG2 :: 17.5280 CD1 :: 12.9420 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 :: 8.1980 HA :: 4.1470 HB :: 1.8090 HG12 :: 1.4760 HG13 :: 1.1590 HG21 :: 0.8850 HG22 :: 0.8850 HG23 :: 0.8850 HD11 :: 0.8310 HD12 :: 0.8310 HD13 :: 0.8310 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 :: 121.7430 Ave N Shift Values>> N :: 121.46(4.28) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.36 G 0.07 K 0.05 C Shift Assignments>> C :: 175.7260 CA :: 55.7200 CB :: 31.0840 CG :: 27.0750 CD :: 43.3970 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 :: 8.3000 HA :: 4.4140 HB2 :: 1.7850 HB3 :: 1.7850 HG2 :: 1.5260 HG3 :: 1.6130 HD2 :: 3.1440 HD3 :: 3.1440 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 :: 125.4830 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.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 176.0610 CA :: 60.8700 CB :: 38.7600 CG1 :: 27.2730 CG2 :: 17.4820 CD1 :: 12.9290 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 :: 8.2880 HA :: 4.2180 HB :: 1.8390 HG12 :: 1.4340 HG13 :: 1.1660 HG21 :: 0.8410 HG22 :: 0.8410 HG23 :: 0.8410 HD11 :: 0.8170 HD12 :: 0.8170 HD13 :: 0.8170 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 :: 123.4000 Ave N Shift Values>> N :: 121.46(4.28) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 172.6090 CA :: 59.5300 CB :: 69.6660 CG2 :: 21.5000 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 :: 8.1640 HA :: 4.5780 HB :: 4.1330 HG21 :: 1.2210 HG22 :: 1.2210 HG23 :: 1.2210 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 :: 120.7490 Ave N Shift Values>> N :: 115.42(4.75) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 175.8880 CA :: 63.2090 CB :: 32.0800 CG :: 27.3680 CD :: 51.0070 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 :: 4.2640 HB2 :: 1.6400 HB3 :: 2.0900 HG2 :: 1.8890 HG3 :: 1.8890 HD2 :: 3.5950 HD3 :: 3.7770 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.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 K 0.11 N 0.1 F 0.08 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.K22 1.K22 C Shift Assignments>> C :: 175.8120 CA :: 54.1700 CB :: 41.2320 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 :: 8.1330 HA :: 4.4860 HB2 :: 2.4490 HB3 :: 2.5650 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 :: 120.2160 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>> F 0.46 Y 0.37 C 0.16 C Shift Assignments>> C :: 175.4990 CA :: 56.4460 CB :: 40.6410 CD1 :: 131.5740 CD2 :: 131.5740 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 :: 8.0330 HA :: 4.9300 HB2 :: 3.1880 HB3 :: 2.9270 HD1 :: 7.3660 HD2 :: 7.3660 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.8900 Ave N Shift Values>> N :: 120.45(4.18) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.7410 CB :: 63.0190 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7820 HA :: 4.7570 HB2 :: 4.3920 HB3 :: 4.1490 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.4910 Ave N Shift Values>> N :: 116.28(3.52) 1.P18 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 :: 179.6410 CA :: 65.9100 CB :: 31.8520 CG :: 28.1310 CD :: 50.4670 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 :: 4.3420 HB2 :: 2.4540 HB3 :: 2.0150 HG2 :: 2.2650 HG3 :: 2.1080 HD2 :: 3.9760 HD3 :: 3.9760 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.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.32 E 0.25 K 0.04 Q 0.01 C Shift Assignments>> C :: 179.4360 CA :: 59.9800 CB :: 28.8240 CG :: 36.7150 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 :: 8.8230 HA :: 4.0760 HB2 :: 2.0140 HB3 :: 2.1060 HG2 :: 2.3380 HG3 :: 2.4250 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.9240 Ave N Shift Values>> N :: 120.67(3.48) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.32 C Shift Assignments>> C :: 176.2560 CA :: 66.2300 CB :: 68.0420 CG2 :: 23.9300 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 :: 7.9840 HA :: 3.9740 HB :: 4.3430 HG21 :: 1.0370 HG22 :: 1.0370 HG23 :: 1.0370 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 :: 120.7470 Ave N Shift Values>> N :: 115.42(4.75) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.43 HN Overlap>> 1.K63 1.K63 C Shift Assignments>> C :: 178.8410 CA :: 58.1500 CB :: 31.0250 CG :: 32.1900 CE :: 16.6650 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 :: 8.6160 HA :: 4.1870 HB2 :: 2.1540 HB3 :: 2.2000 HG2 :: 2.6390 HG3 :: 2.7270 HE1 :: 2.1540 HE2 :: 2.1540 HE3 :: 2.1540 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 :: 121.2740 Ave N Shift Values>> N :: 120.09(3.57) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.38 R 0.1 HN Overlap>> 1.D15 1.D15 1.A75 1.A75 C Shift Assignments>> C :: 178.9600 CA :: 59.9300 CB :: 32.3590 CG :: 25.2770 CD :: 30.0500 CE :: 42.0390 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 :: 8.0580 HA :: 3.9600 HB2 :: 1.9140 HB3 :: 1.8140 HG2 :: 1.4060 HG3 :: 1.5650 HD2 :: 1.7020 HD3 :: 1.7020 HE2 :: 2.9510 HE3 :: 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 :: 120.2860 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.42 I 0.03 C 0.02 C Shift Assignments>> C :: 180.3990 CA :: 54.9660 CB :: 18.1480 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6630 HA :: 4.1260 HB1 :: 1.5200 HB2 :: 1.5200 HB3 :: 1.5200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6900 Ave N Shift Values>> N :: 123.23(3.54) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 G 0.22 R 0.01 K 0.01 C Shift Assignments>> C :: 179.4580 CA :: 60.7900 CB :: 30.7580 CG :: 30.6900 CD :: 43.7190 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 :: 8.4220 HA :: 3.9940 HB2 :: 1.9650 HB3 :: 1.9650 HG2 :: 1.4300 HG3 :: 1.4300 HD2 :: 3.0560 HD3 :: 2.6810 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 :: 118.1230 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.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.44 G 0.06 K 0.04 C Shift Assignments>> C :: 178.6900 CA :: 58.6700 CB :: 30.0610 CG :: 27.4300 CD :: 43.3520 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 :: 8.1970 HA :: 4.1070 HB2 :: 1.9720 HB3 :: 1.9720 HG2 :: 1.7130 HG3 :: 1.7130 HD2 :: 3.2020 HD3 :: 3.2020 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 :: 120.0220 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.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.39 C 0.01 I 0.01 C Shift Assignments>> C :: 178.9920 CA :: 54.1500 CB :: 18.1150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6200 HA :: 4.2200 HB1 :: 1.2680 HB2 :: 1.2680 HB3 :: 1.2680 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2210 Ave N Shift Values>> N :: 123.23(3.54) 1.W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.48 C Shift Assignments>> C :: 177.0350 CA :: 57.4970 CB :: 31.2690 CD1 :: 128.9760 CE3 :: 119.8850 CZ2 :: 114.4300 CZ3 :: 121.3450 CH2 :: 123.8370 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 :: 7.3150 HA :: 4.6880 HB2 :: 3.1470 HB3 :: 3.3800 HD1 :: 7.1250 HE1 :: 9.8460 HE3 :: 7.1750 HZ2 :: 7.0530 HZ3 :: 6.2910 HH2 :: 6.7820 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 :: 114.6110 NE1 :: 128.5500 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.2410 CA :: 69.0000 CB :: 68.0500 CG2 :: 21.8070 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 :: 7.8720 HA :: 4.3280 HB :: 3.7840 HG21 :: 1.3210 HG22 :: 1.3210 HG23 :: 1.3210 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 :: 115.2320 Ave N Shift Values>> N :: 115.42(4.75) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.1 L 0.08 I 0.06 N 0.03 K 0.01 C Shift Assignments>> C :: 178.4410 CA :: 57.3300 CB :: 39.8280 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 :: 8.5320 HA :: 4.4730 HB2 :: 2.7560 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 :: 120.1490 Ave N Shift Values>> N :: 120.65(3.86) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 177.7490 CA :: 64.9400 CB :: 32.6840 CG1 :: 21.9600 CG2 :: 22.2170 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 :: 7.8900 HA :: 4.0580 HB :: 2.3240 HG11 :: 0.8950 HG12 :: 0.8950 HG13 :: 0.8950 HG21 :: 1.1310 HG22 :: 1.1310 HG23 :: 1.1310 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.1530 Ave N Shift Values>> N :: 121.14(4.54) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.3270 CA :: 66.6300 CB :: 37.5080 CG1 :: 30.7190 CG2 :: 16.9040 CD1 :: 13.6370 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 :: 8.3280 HA :: 3.3990 HB :: 1.9120 HG12 :: 1.7410 HG13 :: 0.7840 HG21 :: 0.8410 HG22 :: 0.8410 HG23 :: 0.8410 HD11 :: 0.6960 HD12 :: 0.6960 HD13 :: 0.6960 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 :: 120.7040 Ave N Shift Values>> N :: 121.46(4.28) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.2 K 0.19 R 0.1 I 0.03 E 0.02 P 0.01 M 0.01 C Shift Assignments>> C :: 178.5170 CA :: 59.5840 CB :: 27.8640 CG :: 33.5000 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 :: 8.0640 HA :: 4.0480 HB2 :: 2.2140 HB3 :: 2.2110 HG2 :: 2.5140 HG3 :: 2.5140 HE21 :: 7.7000 HE22 :: 6.8860 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 :: 118.4510 NE2 :: 112.9400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 177.3050 CA :: 66.0140 CB :: 68.9800 CG2 :: 23.0000 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 :: 7.8450 HA :: 4.2600 HB :: 4.3020 HG21 :: 1.3450 HG22 :: 1.3450 HG23 :: 1.3450 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 :: 115.5890 Ave N Shift Values>> N :: 115.42(4.75) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.36 K 0.18 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> C :: 178.9130 CA :: 57.9290 CB :: 41.6750 CG :: 27.4940 CD1 :: 22.9900 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 :: 8.4260 HA :: 4.1410 HB2 :: 1.9830 HB3 :: 1.1540 HG :: 0.7400 HD11 :: 0.9670 HD12 :: 0.9670 HD13 :: 0.9670 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 :: 121.2930 Ave N Shift Values>> N :: 121.86(3.9) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 R 0.16 G 0.13 K 0.1 L 0.01 C Shift Assignments>> C :: 176.8670 CA :: 59.2010 CB :: 29.9500 CG :: 24.8600 CD :: 43.6560 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 :: 8.7000 HA :: 4.1060 HB2 :: 1.9600 HB3 :: 2.0890 HG2 :: 1.6960 HG3 :: 1.6960 HD2 :: 3.2460 HD3 :: 3.2460 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 :: 121.6630 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.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.41 C 0.3 K 0.11 Q 0.08 M 0.04 I 0.02 C Shift Assignments>> CA :: 55.0800 CB :: 29.4260 CG :: 36.1900 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 :: 4.1220 HB2 :: 2.0130 HB3 :: 2.0130 HG2 :: 2.3892 HG3 :: 2.2412 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.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.36 W 0.36 C 0.27 C Shift Assignments>> C :: 173.5050 CA :: 56.5300 CB :: 29.2820 CD2 :: 121.2780 CE1 :: 137.7140 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>> HA :: 4.6790 HB2 :: 2.8610 HB3 :: 3.6130 HD2 :: 7.4510 HE1 :: 8.2740 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) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.27 K 0.21 G 0.01 C Shift Assignments>> C :: 176.9160 CA :: 57.4700 CB :: 28.9730 CG :: 24.9290 CD :: 29.5840 CE :: 42.3900 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 :: 7.8500 HA :: 4.3610 HB2 :: 2.1110 HB3 :: 2.1100 HG2 :: 1.3630 HG3 :: 1.3630 HD2 :: 1.7090 HE2 :: 3.0260 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 :: 113.6880 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.14 I 0.13 K 0.12 E 0.1 Q 0.1 H 0.08 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 172.8840 CA :: 59.1600 CB :: 28.5060 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.0430 HA :: 4.9400 HB2 :: 2.7400 HB3 :: 3.0530 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 :: 113.3520 Ave N Shift Values>> N :: 120.17(4.64) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.26 C 0.24 E 0.09 R 0.05 M 0.02 C Shift Assignments>> C :: 178.3640 CA :: 55.6650 CB :: 28.5200 CG :: 34.2000 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 :: 8.6640 HA :: 4.0950 HB2 :: 2.1410 HB3 :: 2.0750 HG2 :: 2.2630 HG3 :: 2.0850 HE21 :: 7.2580 HE22 :: 6.6550 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 :: 115.7130 NE2 :: 111.2510 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> C :: 177.7490 CA :: 62.1490 CB :: 32.5530 CG :: 28.2800 CD :: 50.4900 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 :: 5.2310 HB2 :: 1.6580 HB3 :: 1.6580 HG2 :: 2.1430 HG3 :: 2.2410 HD2 :: 3.0170 HD3 :: 2.9630 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.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.33 G 0.16 K 0.04 C Shift Assignments>> C :: 173.8550 CA :: 55.0600 CB :: 33.6690 CG :: 26.8910 CD :: 43.7160 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 :: 8.9350 HA :: 4.4390 HB2 :: 1.6570 HB3 :: 1.6250 HG2 :: 1.5010 HG3 :: 1.5010 HD2 :: 3.0740 HD3 :: 3.0740 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 :: 121.5450 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.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.19 R 0.04 G 0.04 C Shift Assignments>> C :: 176.4070 CA :: 53.5900 CB :: 42.8180 CG :: 27.1000 CD1 :: 25.1300 CD2 :: 25.1300 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 :: 8.4730 HA :: 4.8410 HB2 :: 1.3130 HB3 :: 1.3660 HG :: 1.3080 HD11 :: 0.6750 HD12 :: 0.6750 HD13 :: 0.6750 HD21 :: 0.5520 HD22 :: 0.5520 HD23 :: 0.5520 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 :: 124.3150 Ave N Shift Values>> N :: 121.86(3.9) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.28 C 0.16 A 0.1 R 0.06 C Shift Assignments>> C :: 175.6930 CA :: 52.8500 CB :: 43.9640 CG :: 27.1200 CD1 :: 22.8400 CD2 :: 25.9100 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0750 HA :: 4.6260 HB2 :: 1.5750 HB3 :: 1.3540 HG :: 1.4340 HD11 :: 0.7650 HD12 :: 0.7650 HD13 :: 0.7650 HD21 :: 0.7530 HD22 :: 0.7530 HD23 :: 0.7530 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 :: 127.2490 Ave N Shift Values>> N :: 121.86(3.9) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 178.4350 CA :: 56.6900 CB :: 39.0900 CD1 :: 133.3080 CD2 :: 133.3080 CE1 :: 118.3000 CE2 :: 118.3000 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 :: 8.5320 HA :: 4.3920 HB2 :: 3.1370 HB3 :: 2.8760 HD1 :: 7.1140 HD2 :: 7.1140 HE1 :: 6.8340 HE2 :: 6.8340 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 :: 122.9470 Ave N Shift Values>> N :: 120.52(4.2) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.59 C 0.4 C Shift Assignments>> C :: 175.9820 CA :: 64.6490 CB :: 32.7450 CG :: 24.9550 CD :: 50.1200 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 :: 3.4610 HB2 :: 1.8440 HB3 :: 1.8440 HG2 :: 1.9780 HG3 :: 1.5280 HD2 :: 3.3640 HD3 :: 3.7030 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.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 C Shift Assignments>> C :: 175.5530 CA :: 51.4300 CB :: 19.6450 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6240 HA :: 4.3790 HB1 :: 1.2890 HB2 :: 1.2890 HB3 :: 1.2890 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2600 Ave N Shift Values>> N :: 123.23(3.54) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.36 R 0.19 HN Overlap>> 1.K63 1.L34 1.K63 1.L34 C Shift Assignments>> C :: 174.4390 CA :: 55.1170 CB :: 34.5850 CG :: 25.3170 CD :: 30.0580 CE :: 42.0600 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 :: 8.4960 HA :: 4.7140 HB2 :: 1.3860 HB3 :: 1.3860 HG2 :: 1.2220 HG3 :: 1.2220 HD2 :: 1.4520 HD3 :: 1.3780 HE2 :: 2.8280 HE3 :: 2.8280 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 :: 121.2270 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.58 C 0.15 G 0.13 A 0.06 R 0.05 C Shift Assignments>> C :: 174.8170 CA :: 53.3740 CB :: 43.4870 CG :: 26.4150 CD1 :: 26.1870 CD2 :: 23.0490 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 :: 7.8760 HA :: 4.4050 HB2 :: 0.6450 HB3 :: -0.9800(S) HG :: 0.8660 HD11 :: -0.1210 HD12 :: -0.1210 HD13 :: -0.1210 HD21 :: 0.1660 HD22 :: 0.1660 HD23 :: 0.1660 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 :: 122.4800 Ave N Shift Values>> N :: 121.86(3.9) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.8440 CA :: 55.4120 CB :: 65.5300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8900 HA :: 5.5000 HB2 :: 3.4890 HB3 :: 3.5720 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 :: 121.6960 Ave N Shift Values>> N :: 116.28(3.52) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.22 G 0.09 C Shift Assignments>> C :: 174.0820 CA :: 59.8430 CB :: 42.8560 CG1 :: 25.3800 CG2 :: 18.8070 CD1 :: 14.6200 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 :: 8.6830 HA :: 4.7240 HB :: 1.9220 HG12 :: 1.5000 HG13 :: 1.1740 HG21 :: 0.8370 HG22 :: 0.8370 HG23 :: 0.8370 HD11 :: 0.9780 HD12 :: 0.9780 HD13 :: 0.9780 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.0390 Ave N Shift Values>> N :: 121.46(4.28) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.2490 CA :: 61.8700 CB :: 70.7000 CG2 :: 20.8870 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 :: 8.5150 HA :: 5.0510 HB :: 3.7240 HG21 :: 0.9400 HG22 :: 0.9400 HG23 :: 0.9400 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 :: 118.5870 Ave N Shift Values>> N :: 115.42(4.75) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 C Shift Assignments>> C :: 175.5530 CA :: 59.0310 CB :: 40.7150 CG1 :: 27.5200 CG2 :: 17.1190 CD1 :: 14.0600 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 :: 8.7150 HA :: 4.4800 HB :: 1.8000 HG12 :: 1.2200 HG13 :: 1.5610 HG21 :: 0.9700 HG22 :: 0.9700 HG23 :: 0.9700 HD11 :: 1.0060 HD12 :: 1.0060 HD13 :: 1.0060 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 :: 125.5620 Ave N Shift Values>> N :: 121.46(4.28) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.18 Y 0.17 N 0.15 L 0.12 C 0.1 I 0.01 C Shift Assignments>> C :: 176.0940 CA :: 55.4900 CB :: 39.7410 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 :: 9.3840 HA :: 4.3160 HB2 :: 2.9880 HB3 :: 2.6610 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 :: 129.2150 Ave N Shift Values>> N :: 120.65(3.86) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.6600 CA :: 45.4410 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4480 HA2 :: 4.1600 HA3 :: 3.5400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.6 Ave N Shift Values>> N :: 109.67(3.87) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.3 E 0.26 Q 0.02 C Shift Assignments>> C :: 174.9900 CA :: 54.8950 CB :: 32.1470 CG :: 36.3900 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 :: 7.8850 HA :: 4.6920 HB2 :: 1.9700 HB3 :: 2.0710 HG2 :: 2.1420 HG3 :: 2.2750 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 :: 121.5640 Ave N Shift Values>> N :: 120.67(3.48) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.2660 CA :: 62.5760 CB :: 69.8140 CG2 :: 21.4610 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 :: 8.7670 HA :: 5.0890 HB :: 3.8500 HG21 :: 0.9970 HG22 :: 0.9970 HG23 :: 0.9970 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 :: 122.5790 Ave N Shift Values>> N :: 115.42(4.75) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.44 R 0.04 G 0.01 A 0.01 C Shift Assignments>> C :: 173.4870 CA :: 54.2100 CB :: 35.6190 CG :: 24.4470 CD :: 28.2000 CE :: 42.0000 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 :: 9.0430 HA :: 4.4000 HB2 :: 1.3390 HB3 :: 1.1980 HG2 :: 1.1320 HD2 :: 1.4250 HD3 :: 1.4270 HE2 :: 2.7620 HE3 :: 2.9040 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 :: 128.8720 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 175.1530 CA :: 60.5080 CB :: 33.6980 CG1 :: 21.6040 CG2 :: 20.9600 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 :: 7.7840 HA :: 4.6700 HB :: 1.6460 HG11 :: 0.5550 HG12 :: 0.5550 HG13 :: 0.5550 HG21 :: 0.6800 HG22 :: 0.6800 HG23 :: 0.6800 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.3620 Ave N Shift Values>> N :: 121.14(4.54) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.78 C 0.2 C Shift Assignments>> C :: 175.8020 CA :: 56.3700 CB :: 41.9700 CD1 :: 132.0670 CD2 :: 132.0670 CE1 :: 131.2640 CE2 :: 131.2640 CZ :: 129.6730 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 :: 9.2700 HA :: 4.8950 HB2 :: 3.3170 HB3 :: 2.9430 HD1 :: 7.0850 HD2 :: 7.0850 HE1 :: 6.9770 HE2 :: 6.9770 HZ :: 6.2060 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 :: 125.1330 Ave N Shift Values>> N :: 120.45(4.18) 1.H61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 W 0.34 H 0.29 C Shift Assignments>> C :: 174.0490 CA :: 59.1800 CB :: 31.4090 CD2 :: 119.6060 CE1 :: 138.3800 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 :: 9.4660 HA :: 4.3120 HB2 :: 3.2160 HB3 :: 3.2160 HD2 :: 7.0890 HE1 :: 7.8960 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 :: 121.8690 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 D 0.17 G 0.12 C 0.04 F 0.03 K 0.03 Y 0.01 N 0.01 C Shift Assignments>> C :: 175.9240 CA :: 53.0660 CB :: 43.4150 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 :: 7.6670 HA :: 4.9440 HB2 :: 2.9900 HB3 :: 2.9900 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 :: 110.8880 Ave N Shift Values>> N :: 120.65(3.86) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.46 HN Overlap>> 1.K48 1.K48 1.M21 1.M21 C Shift Assignments>> C :: 178.5380 CA :: 59.3700 CB :: 32.0880 CG :: 24.8810 CD :: 29.2290 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 :: 8.5560 HA :: 3.8640 HB2 :: 1.0410 HB3 :: 1.5660 HG2 :: 0.9610 HG3 :: 1.0810 HD2 :: 1.2560 HD3 :: 1.2560 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 :: 121.2260 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 177.1780 CA :: 66.5000 CB :: 68.1150 CG2 :: 21.9900 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.3460 HA :: 4.0860 HB :: 4.3460 HG21 :: 1.2420 HG22 :: 1.2420 HG23 :: 1.2420 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 :: 118.2400 Ave N Shift Values>> N :: 115.42(4.75) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.34 R 0.26 C Shift Assignments>> C :: 180.1720 CA :: 58.2300 CB :: 32.1010 CG :: 25.1600 CD :: 28.0680 CE :: 42.3660 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 :: 8.3560 HA :: 4.3120 HB2 :: 2.3500 HB3 :: 2.3500 HG2 :: 1.8880 HG3 :: 1.8880 HD2 :: 1.8670 HD3 :: 1.8670 HE2 :: 3.1580 HE3 :: 3.1580 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 :: 121.9620 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 175.7910 CA :: 61.0300 CB :: 39.6590 CD1 :: 131.6920 CD2 :: 131.6920 CE1 :: 130.3310 CE2 :: 130.3310 CZ :: 129.1490 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.8530 HA :: 3.8150 HB2 :: 2.9740 HB3 :: 3.3680 HD1 :: 6.4910 HD2 :: 6.4910 HE1 :: 7.0410 HE2 :: 7.0410 HZ :: 6.9940 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 :: 120.7790 Ave N Shift Values>> N :: 120.45(4.18) 1.T67 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 :: 177.3050 CA :: 67.0500 CB :: 68.4110 CG2 :: 22.0400 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 :: 8.7880 HA :: 3.5530 HB :: 4.3340 HG21 :: 1.2610 HG22 :: 1.2610 HG23 :: 1.2610 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.5780 Ave N Shift Values>> N :: 115.42(4.75) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 K 0.22 R 0.07 E 0.04 I 0.03 M 0.01 HN Overlap>> 1.Y86 1.Y86 C Shift Assignments>> C :: 178.8740 CA :: 59.2900 CB :: 28.2190 CG :: 33.8030 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 :: 8.1160 HA :: 4.0750 HB2 :: 2.1680 HB3 :: 2.2710 HG2 :: 2.6030 HG3 :: 2.4450 HE21 :: 7.4350 HE22 :: 6.7990 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 :: 121.6310 NE2 :: 111.8300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y69 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 :: 178.4410 CA :: 61.0500 CB :: 38.4400 CD1 :: 133.5500 CD2 :: 133.5500 CE1 :: 117.7910 CE2 :: 117.7910 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 :: 7.8190 HA :: 4.2840 HB2 :: 3.0300 HB3 :: 3.4500 HD1 :: 6.9500 HD2 :: 6.9500 HE1 :: 6.7670 HE2 :: 6.7670 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 :: 122.3740 Ave N Shift Values>> N :: 120.52(4.2) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.44 HN Overlap>> 1.T13 1.T13 C Shift Assignments>> C :: 178.2570 CA :: 57.7600 CB :: 41.3050 CG :: 25.7900 CD1 :: 23.7010 CD2 :: 25.5230 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 :: 8.1790 HA :: 3.4430 HB2 :: 1.2260 HB3 :: 1.4520 HG :: 1.2370 HD11 :: 0.5170 HD12 :: 0.5170 HD13 :: 0.5170 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 :: 120.8190 Ave N Shift Values>> N :: 121.86(3.9) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0540 CA :: 61.2470 CB :: 63.3890 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3890 HA :: 4.0940 HB2 :: 3.9520 HB3 :: 3.9520 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 :: 111.6760 Ave N Shift Values>> N :: 116.28(3.52) 1.T72 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 :: 173.4440 CA :: 61.3900 CB :: 70.2000 CG2 :: 21.5040 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 :: 7.5640 HA :: 4.4580 HB :: 4.4000 HG21 :: 1.2000 HG22 :: 1.2000 HG23 :: 1.2000 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.2930 Ave N Shift Values>> N :: 115.42(4.75) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.18 C 0.08 L 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 171.5000 CA :: 50.4600 CB :: 39.3100 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.2410 HA :: 5.0820 HB2 :: 2.6240 HB3 :: 2.0070 HD21 :: 7.2200 HD22 :: 6.9700 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 :: 119.7740 ND2 :: 111.9500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 178.5710 CA :: 64.8500 CB :: 32.0600 CG :: 27.3240 CD :: 50.6670 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 :: 4.2370 HB2 :: 1.9670 HB3 :: 2.3450 HG2 :: 2.0820 HG3 :: 1.9570 HD2 :: 3.8180 HD3 :: 3.5310 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.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.39 I 0.04 C 0.03 HN Overlap>> 1.K22 1.K22 C Shift Assignments>> C :: 180.1440 CA :: 55.2930 CB :: 18.3360 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0630 HA :: 4.1350 HB1 :: 1.4740 HB2 :: 1.4740 HB3 :: 1.4740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.3320 Ave N Shift Values>> N :: 123.23(3.54) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.32 R 0.04 G 0.01 C Shift Assignments>> C :: 178.1700 CA :: 56.2930 CB :: 42.2280 CG :: 26.7050 CD1 :: 25.3210 CD2 :: 23.8320 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 :: 7.5740 HA :: 4.1790 HB2 :: 1.5850 HB3 :: 1.4970 HG :: 1.6090 HD11 :: 0.9220 HD12 :: 0.9220 HD13 :: 0.9220 HD21 :: 0.9420 HD22 :: 0.9420 HD23 :: 0.9420 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 :: 118.8340 Ave N Shift Values>> N :: 121.86(3.9) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.23 Q 0.22 E 0.07 R 0.04 I 0.04 M 0.01 C Shift Assignments>> C :: 178.2890 CA :: 59.4000 CB :: 28.5300 CG :: 34.0000 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 :: 8.1620 HA :: 3.7880 HB2 :: 2.1240 HB3 :: 2.1240 HG2 :: 2.1890 HG3 :: 2.1890 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 :: 118.6400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.43 G 0.07 K 0.03 C Shift Assignments>> C :: 177.6940 CA :: 59.0310 CB :: 29.9320 CG :: 27.6300 CD :: 43.4000 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 :: 7.8840 HA :: 4.0370 HB2 :: 1.8930 HG2 :: 1.6020 HD2 :: 3.1810 HD3 :: 3.1810 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 :: 118.2460 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.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 177.2400 CA :: 63.9490 CB :: 38.3500 CG1 :: 28.4880 CG2 :: 16.9810 CD1 :: 13.6200 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 :: 7.3060 HA :: 3.7580 HB :: 1.8200 HG12 :: 1.0320 HG13 :: 1.5700 HG21 :: 0.5960 HG22 :: 0.5960 HG23 :: 0.5960 HD11 :: 0.7280 HD12 :: 0.7280 HD13 :: 0.7280 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 :: 117.6180 Ave N Shift Values>> N :: 121.46(4.28) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 177.1540 CA :: 61.9850 CB :: 37.0960 CG1 :: 27.7400 CG2 :: 17.3580 CD1 :: 11.6220 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 :: 7.7830 HA :: 3.9550 HB :: 2.0530 HG12 :: 1.5070 HG13 :: 1.5070 HG21 :: 0.9430 HG22 :: 0.9430 HG23 :: 0.9430 HD11 :: 0.9020 HD12 :: 0.9020 HD13 :: 0.9020 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 :: 117.3800 Ave N Shift Values>> N :: 121.46(4.28) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.2390 CA :: 63.4620 CB :: 69.8140 CG2 :: 21.3140 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 :: 7.9470 HA :: 4.2690 HB :: 4.2640 HG21 :: 1.2170 HG22 :: 1.2170 HG23 :: 1.2170 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 :: 113.1820 Ave N Shift Values>> N :: 115.42(4.75) 1.E82 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 :: 176.6130 CA :: 57.4060 CB :: 29.9320 CG :: 36.4660 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 :: 7.9850 HA :: 4.2390 HB2 :: 2.0890 HB3 :: 2.0890 HG2 :: 2.3630 HG3 :: 2.3630 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 :: 122.7860 Ave N Shift Values>> N :: 120.67(3.48) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.15 C Shift Assignments>> C :: 176.6020 CA :: 57.1460 CB :: 32.5170 CG :: 24.8880 CD :: 28.9560 CE :: 42.1530 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 :: 8.1090 HA :: 4.1840 HB2 :: 1.8060 HB3 :: 1.8060 HG2 :: 1.2590 HG3 :: 1.2590 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 :: 121.8560 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.18 C 0.16 Q 0.14 R 0.09 H 0.08 W 0.06 E 0.04 V 0.02 C Shift Assignments>> C :: 176.3420 CA :: 56.5200 CB :: 32.8860 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 :: 8.2180 HA :: 4.2680 HB2 :: 1.7440 HB3 :: 1.7440 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 :: 122.4510 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.25 C 0.23 M 0.09 E 0.08 R 0.01 C Shift Assignments>> C :: 177.3270 CA :: 55.8970 CB :: 29.6700 CG :: 33.8600 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 :: 8.3060 HA :: 4.2990 HB2 :: 1.9080 HB3 :: 2.0000 HG2 :: 2.2370 HG3 :: 2.2370 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 :: 121.2140 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.3 F 0.16 HN Overlap>> 1.Q68 1.I10 1.Q68 1.I10 C Shift Assignments>> C :: 175.2720 CA :: 57.8600 CB :: 38.9360 CD1 :: 133.3320 CD2 :: 133.3320 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 :: 8.1990 HA :: 4.5590 HB2 :: 3.0580 HB3 :: 2.9130 HD1 :: 7.1130 HD2 :: 7.1130 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 :: 121.6610 Ave N Shift Values>> N :: 120.52(4.2) 1.K87 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 K 0.36 R 0.12 G 0.01 C Shift Assignments>> C :: 174.9210 CA :: 56.2250 CB :: 33.4770 CG :: 24.6730 CD :: 30.9190 CE :: 42.1580 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 :: 8.1300 HA :: 4.3460 HB2 :: 1.7800 HG2 :: 1.4740 HD2 :: 3.0000(S) HE2 :: 1.6100(S) 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 :: 123.5420 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) (HE2 > HD2 : 0.9981) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.19 D 0.16 R 0.13 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> CA :: 55.5770 CB :: 42.2640 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 :: 7.8930 HA :: 4.3430 HB2 :: 2.5660 HB3 :: 2.6800 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 :: 127.3600 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 85 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 87 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 87 #Suspicious: 1 C Shift Results: #Consistent: 409 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent: 627 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 84 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y5 Typing: Suspicious 1.Y5 CD1 = 118.2760(S), Expected = 132.77, Std = 1.1700, ChiSquare = 3.0339e-35 1.Y5 CD2 = 118.2760(S), Expected = 132.73, Std = 1.3000, ChiSquare = 1.0202e-28 1.Y5 CE1 = 133.4140(S), Expected = 117.93, Std = 1.1900, ChiSquare = 1.0489e-38 1.Y5 CE2 = 133.4140(S), Expected = 117.90, Std = 1.1800, ChiSquare = 1.7599e-39 1.L49 HB3 = -0.9800(S), Expected = 1.52, Std = 0.3600, ChiSquare = 3.7995e-12 1.K87 HD2 = 3.0000(S), Expected = 1.61, Std = 0.2200, ChiSquare = 2.6466e-10 1.K87 HE2 = 1.6100(S), Expected = 2.92, Std = 0.1900, ChiSquare = 5.3965e-12 1.K87 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.K87 SRO Rule Break>> HE2 > HD2 : 0.998085513720485