Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P3 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 :: 176.7640 CA :: 63.2890 CB :: 31.8830 CG :: 27.3710 CD :: 51.2680 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 :: 4.4070 HB2 :: 1.8380 HB3 :: 2.2580 HG2 :: 1.9760 HG3 :: 1.9760 HD2 :: 3.8950 HD3 :: 3.7240 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.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 176.1730 CA :: 63.2890 CB :: 32.8200 CG1 :: 21.0700 CG2 :: 20.6740 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 :: 8.0930 HA :: 3.9700 HB :: 1.9200 HG11 :: 0.8200 HG12 :: 0.8200 HG13 :: 0.8200 HG21 :: 0.8700 HG22 :: 0.8700 HG23 :: 0.8700 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 :: 120.4870 Ave N Shift Values>> N :: 121.14(4.54) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 C 0.22 M 0.05 E 0.05 R 0.04 C Shift Assignments>> C :: 176.2320 CA :: 55.3200 CB :: 29.0700 CG :: 33.6860 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 :: 8.2170 HA :: 4.1870 HB2 :: 1.7000 HB3 :: 1.7820 HG2 :: 2.1900 HG3 :: 2.1900 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 :: 123.7190 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 177.2700 CA :: 52.5080 CB :: 19.0810 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1470 HA :: 4.2020 HB1 :: 1.2500 HB2 :: 1.2500 HB3 :: 1.2500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.1280 Ave N Shift Values>> N :: 123.23(3.54) 1.W7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.43 HN Overlap>> 1.L149 1.L149 C Shift Assignments>> C :: 176.4680 CA :: 56.3500 CB :: 29.8500 CD1 :: 126.9370 CE3 :: 120.9390 CZ2 :: 114.4410 CZ3 :: 121.9390 CH2 :: 124.4380 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 :: 7.8100 HA :: 4.6800 HB2 :: 3.2200 HB3 :: 3.1600 HD1 :: 7.1760 HE1 :: 10.1900 HE3 :: 7.5370 HZ2 :: 7.4090 HZ3 :: 7.0800 HH2 :: 7.1220 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 :: 119.1570 NE1 :: 129.4920 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> C :: 177.5750 CA :: 65.1640 CB :: 31.8830 CG :: 27.6440 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 :: 4.1140 HB2 :: 1.9320 HB3 :: 2.2470 HD2 :: 2.6400 HD3 :: 2.8600 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.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.15 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.1680 CA :: 59.0700 CB :: 29.5390 CG :: 36.4960 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 :: 9.5600 HA :: 4.1170 HB2 :: 2.0590 HB3 :: 2.0590 HG2 :: 2.3020 HG3 :: 2.3020 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 :: 118.7160 Ave N Shift Values>> N :: 120.67(3.48) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.17 M 0.12 Q 0.1 V 0.08 R 0.08 W 0.07 H 0.06 E 0.04 HN Overlap>> 1.D42 1.V121 1.D42 1.V121 C Shift Assignments>> C :: 176.4760 CA :: 58.6010 CB :: 32.8200 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 :: 7.9840 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 :: 120.7780 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.98 C Shift Assignments>> CD1 :: 24.6500 CD2 :: 25.5500 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>> HD11 :: 0.6900 HD12 :: 0.6900 HD13 :: 0.6900 HD21 :: 0.7000 HD22 :: 0.7000 HD23 :: 0.7000 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) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 176.3760 CA :: 63.5700 CB :: 39.3800 CG2 :: 17.1800 CD1 :: 13.2700 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>> HA :: 3.8200 HB :: 1.6900 HG21 :: 0.8500 HG22 :: 0.8500 HG23 :: 0.8500 HD11 :: 0.7900 HD12 :: 0.7900 HD13 :: 0.7900 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) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.04 L 0.04 C 0.04 C Shift Assignments>> C :: 177.4940 CA :: 52.9760 CB :: 20.3330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0810 HA :: 4.4380 HB1 :: 1.4380 HB2 :: 1.4380 HB3 :: 1.4380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3640 Ave N Shift Values>> N :: 123.23(3.54) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 M 0.23 C 0.23 K 0.14 E 0.05 C Shift Assignments>> C :: 173.6320 CA :: 54.8510 CB :: 30.4770 CG :: 33.7540 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 :: 7.5500 HA :: 4.5730 HB2 :: 2.1010 HB3 :: 2.1010 HG2 :: 2.3570 HG3 :: 2.2580 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 :: 118.1090 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.7800 CA :: 57.6640 CB :: 65.1640 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6660 HA :: 4.3880 HB2 :: 3.7100 HB3 :: 3.6600 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 :: 112.3840 Ave N Shift Values>> N :: 116.28(3.52) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.14 R 0.12 H 0.11 Q 0.1 K 0.08 M 0.03 I 0.03 V 0.02 C Shift Assignments>> C :: 180.3870 CA :: 58.6010 CB :: 30.0080 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8350 HA :: 4.3300 HB2 :: 2.5300 HB3 :: 2.6700 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 :: 120.1160 Ave N Shift Values>> N :: 120.17(4.64) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.28 K 0.11 R 0.08 N 0.06 F 0.04 C 0.04 Y 0.03 G 0.01 C Shift Assignments>> CA :: 52.9760 CB :: 42.1950 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 :: 7.8470 HB2 :: 2.1900 HB3 :: 2.4000 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 :: 124.4160 Ave N Shift Values>> N :: 120.65(3.86) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.29 G 0.18 C Shift Assignments>> C :: 175.7930 CA :: 57.2000 CB :: 43.2400 CD1 :: 133.9300 CE1 :: 117.4400 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 :: 9.0700 HA :: 4.7300 HB2 :: 2.9900 HB3 :: 2.5100 HD2 :: 6.9700 HE2 :: 6.5300 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 :: 121.2960 Ave N Shift Values>> N :: 120.52(4.2) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.47 C Shift Assignments>> C :: 175.7930 CA :: 56.2580 CB :: 33.7580 CG :: 25.5900 CD :: 29.4690 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 :: 8.7110 HA :: 5.1920 HB2 :: 1.7950 HB3 :: 1.7950 HG2 :: 1.3810 HG3 :: 1.3810 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 :: 122.8200 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>> A 0.74 L 0.16 C 0.07 HN Overlap>> 1.T104 1.T104 C Shift Assignments>> C :: 174.5150 CA :: 51.5700 CB :: 21.6280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7270 HA :: 4.7300 HB1 :: 1.2820 HB2 :: 1.2820 HB3 :: 1.2820 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.0730 Ave N Shift Values>> N :: 123.23(3.54) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.02 C 0.02 L 0.01 HN Overlap>> 1.I83 1.I83 C Shift Assignments>> C :: 176.8350 CA :: 51.5700 CB :: 20.1200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6750 HA :: 5.1810 HB1 :: 1.3400 HB2 :: 1.3400 HB3 :: 1.3400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.4860 Ave N Shift Values>> N :: 123.23(3.54) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> CA :: 54.3400 CB :: 39.8500 CD1 :: 132.4300 CE1 :: 117.9400 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 :: 8.2700 HA :: 5.0100 HD1 :: 6.6500 HE1 :: 6.5900 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 :: 122.6980 Ave N Shift Values>> N :: 120.52(4.2) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.31 R 0.03 A 0.01 C Shift Assignments>> C :: 175.9830 CA :: 56.7260 CB :: 41.0700 CG :: 28.7400 CD1 :: 22.9500 CD2 :: 25.0100 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7000 HA :: 3.9200 HB2 :: 1.2800 HB3 :: 1.0800 HD11 :: 0.6600 HD12 :: 0.6600 HD13 :: 0.6600 HD21 :: 0.6500 HD22 :: 0.6500 HD23 :: 0.6500 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 :: 127.9970 Ave N Shift Values>> N :: 121.86(3.9) 1.G27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.37 L 0.29 G 0.11 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 176.2190 CA :: 43.6010 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.8910(S) HA2 :: 4.1870 HA3 :: 2.6500(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.9010 Ave N Shift Values>> N :: 109.67(3.87) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 56.2580 CB :: 65.6320 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9810 HA :: 5.7850 HB2 :: 3.5150 HB3 :: 3.3100 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 :: 111.5510 Ave N Shift Values>> N :: 116.28(3.52) 1.M29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.39 C 0.35 M 0.24 HN Overlap>> 1.A106 1.A106 C Shift Assignments>> C :: 174.1430 CA :: 54.0360 CB :: 37.2680 CG :: 31.2650 CE :: 16.9760 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 :: 8.7040 HA :: 4.7250 HB2 :: 2.3300 HB3 :: 1.9100 HG2 :: 2.3000 HG3 :: 2.3400 HE1 :: 1.6700 HE2 :: 1.6700 HE3 :: 1.6700 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.4930 Ave N Shift Values>> N :: 120.09(3.57) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.31 R 0.1 G 0.02 C Shift Assignments>> C :: 175.8570 CA :: 56.2500 CB :: 42.6600 CG :: 27.2300 CD1 :: 25.4600 CD2 :: 23.6100 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 :: 8.6300 HA :: 3.7850 HB2 :: 1.2900 HB3 :: 1.4700 HG :: 1.0000 HD11 :: 0.5400 HD12 :: 0.5400 HD13 :: 0.5400 HD21 :: 0.3500 HD22 :: 0.3500 HD23 :: 0.3500 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 :: 128.1500 Ave N Shift Values>> N :: 121.86(3.9) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.23 A 0.04 C Shift Assignments>> C :: 174.8810 CA :: 57.6600 CB :: 37.1100 CG1 :: 26.0900 CG2 :: 17.2500 CD1 :: 10.5200 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 :: 8.5600 HA :: 4.1900 HB :: 1.7900 HG12 :: 1.0300 HG13 :: 1.3900 HG21 :: 0.6800 HG22 :: 0.6800 HG23 :: 0.6800 HD11 :: 0.6100 HD12 :: 0.6100 HD13 :: 0.6100 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 :: 127.7230 Ave N Shift Values>> N :: 121.46(4.28) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.22 K 0.17 M 0.12 Q 0.1 V 0.08 R 0.08 W 0.07 H 0.06 E 0.04 C Shift Assignments>> C :: 176.2720 CA :: 58.6010 CB :: 32.8200 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>> HA :: 4.0550 HB2 :: 1.6910 HB3 :: 1.7960 HG2 :: 1.3570 HG3 :: 1.3570 HD2 :: 1.1610 HD3 :: 1.1610 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) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.31 M 0.22 Q 0.06 K 0.02 C Shift Assignments>> C :: 173.9620 CA :: 54.8510 CB :: 30.9450 CG :: 36.1030 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 :: 7.7230 HA :: 4.3880 HB2 :: 1.8300 HB3 :: 1.7880 HG2 :: 2.0700 HG3 :: 2.1310 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 :: 118.6380 Ave N Shift Values>> N :: 120.67(3.48) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.27 A 0.01 C Shift Assignments>> C :: 176.8700 CA :: 54.8500 CB :: 41.7200 CG :: 27.0500 CD1 :: 24.3400 CD2 :: 24.0500 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 :: 8.4460 HA :: 3.9450 HB2 :: 1.5700 HB3 :: 0.8700 HD11 :: 0.2800 HD12 :: 0.2800 HD13 :: 0.2800 HD21 :: 0.5990 HD22 :: 0.5990 HD23 :: 0.5990 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 :: 126.5350 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>> H 0.17 R 0.16 Q 0.12 C 0.12 W 0.12 E 0.11 M 0.1 K 0.06 C Shift Assignments>> C :: 176.1100 CA :: 54.8510 CB :: 30.4770 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 :: 8.6800 HA :: 4.5550 HB2 :: 1.9780 HB3 :: 1.4930 HG2 :: 1.4240 HG3 :: 1.4240 HD2 :: 3.1060 HD3 :: 3.1060 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 :: 128.4470 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.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.9060 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.1820 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.4060 Ave N Shift Values>> N :: 109.67(3.87) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.6340 CA :: 65.6320 CB :: 68.4450 CG2 :: 22.5570 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.0600 HB :: 4.1890 HG21 :: 1.2680 HG22 :: 1.2680 HG23 :: 1.2680 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.28 I 0.26 K 0.03 C Shift Assignments>> C :: 179.9810 CA :: 60.0080 CB :: 29.5390 CG :: 36.8330 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 :: 8.4500 HA :: 4.1260 HB2 :: 2.1370 HB3 :: 2.1370 HG2 :: 2.2220 HG3 :: 2.3570 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 :: 122.2510 Ave N Shift Values>> N :: 120.67(3.48) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 T 0.23 P 0.2 I 0.18 C 0.04 F 0.01 Y 0.01 S 0.01 W 0.01 C Shift Assignments>> C :: 175.9910 CA :: 62.8200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5220 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.9660 Ave N Shift Values>> N :: 116.28(3.52) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 175.9720 CA :: 66.1010 CB :: 67.9760 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.0490 HB :: 4.1910 HG21 :: 1.2080 HG22 :: 1.2080 HG23 :: 1.2080 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.16 K 0.12 Q 0.12 E 0.11 R 0.02 C Shift Assignments>> C :: 178.4830 CA :: 60.4760 CB :: 28.1330 CG :: 34.7950 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 :: 8.2710 HA :: 3.7590 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 :: 120.3540 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.17 F 0.15 R 0.14 Y 0.11 C 0.07 D 0.06 I 0.01 HN Overlap>> 1.V121 1.K13 1.V121 1.K13 C Shift Assignments>> C :: 177.4800 CA :: 57.6640 CB :: 42.1950 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 :: 7.9540 HA :: 4.3590 HB2 :: 2.6410 HB3 :: 2.8240 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 :: 120.7570 Ave N Shift Values>> N :: 120.65(3.86) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.35 C 0.05 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 179.7670 CA :: 55.3200 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 :: 7.8420 HA :: 3.9900 HB1 :: 1.4200 HB2 :: 1.4200 HB3 :: 1.4200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.5870 Ave N Shift Values>> N :: 123.23(3.54) 1.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.47 I 0.4 C 0.09 V 0.01 C Shift Assignments>> C :: 176.0760 CA :: 64.6950 CB :: 27.6640 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9000 HA :: 3.8950 HB2 :: 3.0060 HB3 :: 3.1650 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.4280 Ave N Shift Values>> N :: 120.17(4.64) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 173.5060 CA :: 55.3200 CB :: 17.9400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.2500 HA :: 4.0000 HB1 :: 1.5100 HB2 :: 1.5100 HB3 :: 1.5100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4870 Ave N Shift Values>> N :: 123.23(3.54) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 R 0.16 P 0.15 I 0.14 C 0.11 K 0.08 Q 0.04 W 0.02 H 0.02 E 0.01 C Shift Assignments>> C :: 179.5610 CG :: 26.2780 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 :: 8.1020 HA :: 3.9470 HB2 :: 1.7280 HB3 :: 1.7970 HG2 :: 1.4880 HG3 :: 1.4880 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.2670 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.32 A 0.06 I 0.01 C Shift Assignments>> C :: 179.5260 CA :: 57.1950 CB :: 30.9450 CG :: 33.8520 CE :: 17.6140 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 :: 8.5850 HA :: 4.2140 HB2 :: 1.8470 HB3 :: 1.7930 HG2 :: 2.4600 HG3 :: 2.3900 HE1 :: 1.9900 HE2 :: 1.9900 HE3 :: 1.9900 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.0090 Ave N Shift Values>> N :: 120.09(3.57) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 K 0.15 R 0.07 P 0.03 M 0.03 HN Overlap>> 1.Y145 1.Y145 C Shift Assignments>> C :: 178.8750 CA :: 60.9450 CB :: 30.4770 CG :: 29.4910 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 :: 8.1900 HA :: 3.8560 HB2 :: 1.8130 HB3 :: 1.8130 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 :: 119.9620 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.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.4 I 0.02 C 0.02 C Shift Assignments>> C :: 180.1690 CA :: 54.8510 CB :: 17.8210 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6710 HA :: 3.7430 HB1 :: 1.2690 HB2 :: 1.2690 HB3 :: 1.2690 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.6400 Ave N Shift Values>> N :: 123.23(3.54) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 F 0.2 N 0.16 C 0.14 D 0.14 L 0.06 I 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 177.0840 CA :: 55.7890 CB :: 38.9140 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 :: 7.8930 HA :: 4.4740 HB2 :: 2.8700 HB3 :: 2.8700 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 :: 116.0630 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.19 P 0.16 W 0.07 R 0.05 K 0.02 E 0.02 Q 0.02 H 0.02 HN Overlap>> 1.H116 1.H116 C Shift Assignments>> C :: 175.0020 CA :: 61.4140 CB :: 27.6640 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.7700 HA :: 4.3060 HB2 :: 2.9460 HB3 :: 2.9460 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 :: 116.8840 Ave N Shift Values>> N :: 120.17(4.64) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.25 E 0.1 R 0.03 M 0.03 C Shift Assignments>> CA :: 56.7260 CB :: 29.0700 CG :: 34.0560 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 :: 7.7960 HA :: 4.2280 HB2 :: 2.0290 HB3 :: 2.1830 HG2 :: 2.4730 HG3 :: 2.3990 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 :: 117.8310 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 0.19 C 0.18 M 0.17 Q 0.17 R 0.07 H 0.06 W 0.05 V 0.03 E 0.03 C Shift Assignments>> CA :: 57.1950 CB :: 33.2890 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 :: 7.6860 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.8410 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 63.7570 CB :: 68.9140 CG2 :: 22.0110 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.3040 HB :: 4.1990 HG21 :: 1.2700 HG22 :: 1.2700 HG23 :: 1.2700 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.14 R 0.12 H 0.12 Q 0.11 K 0.08 M 0.04 I 0.02 V 0.01 C Shift Assignments>> C :: 177.6560 CA :: 58.1330 CB :: 30.0080 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 :: 8.3110 HA :: 4.1470 HB2 :: 2.0200 HB3 :: 2.2700 HG2 :: 2.2920 HG3 :: 2.2920 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 :: 120.8610 Ave N Shift Values>> N :: 120.67(3.48) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.26 E 0.09 R 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 177.2750 CA :: 57.6640 CB :: 29.0700 CG :: 34.0310 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 :: 7.8990 HA :: 4.1420 HB2 :: 2.0850 HB3 :: 2.1570 HG2 :: 2.4040 HG3 :: 2.4040 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 :: 118.3970 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.44 A 0.05 C Shift Assignments>> C :: 177.1720 CA :: 56.7260 CB :: 32.1960 CE :: 16.9480 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 :: 8.0360 HA :: 4.3500 HB2 :: 2.6040 HB3 :: 2.6340 HG2 :: 2.2100 HG3 :: 2.2100 HE1 :: 2.0600 HE2 :: 2.0600 HE3 :: 2.0600 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.8970 Ave N Shift Values>> N :: 120.09(3.57) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.48 C Shift Assignments>> C :: 176.6760 CA :: 57.1950 CB :: 32.8200 CG :: 25.2140 CD :: 29.1620 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 :: 7.9010 HA :: 4.2310 HB2 :: 1.8630 HB3 :: 1.8630 HG2 :: 1.6880 HG3 :: 1.6880 HD2 :: 1.4300 HD3 :: 1.5210 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.7790 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.45 C Shift Assignments>> C :: 176.3360 CA :: 56.2580 CB :: 32.8200 CG :: 24.8860 CD :: 29.0990 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 :: 7.8770 HA :: 4.3350 HB2 :: 1.7710 HB3 :: 1.9020 HG2 :: 1.6740 HG3 :: 1.6740 HD2 :: 1.3930 HD3 :: 1.4910 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.9930 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 174.2100 CA :: 60.0000 CB :: 32.3500 CG1 :: 21.0300 CG2 :: 21.9200 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 :: 7.7080 HA :: 4.3800 HB :: 2.1900 HG11 :: 0.9900 HG12 :: 0.9900 HG13 :: 0.9900 HG21 :: 0.9300 HG22 :: 0.9300 HG23 :: 0.9300 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 :: 122.6490 Ave N Shift Values>> N :: 121.14(4.54) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.26 R 0.04 K 0.01 C Shift Assignments>> C :: 176.6560 CA :: 62.8200 CB :: 31.8830 CG :: 27.3290 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 :: 4.6630 HB2 :: 2.0040 HB3 :: 2.3690 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.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.K113 1.K113 C Shift Assignments>> C :: 174.6820 CA :: 62.8200 CB :: 69.3820 CG2 :: 22.2800 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 :: 8.3030 HA :: 4.8300 HB :: 4.1360 HG21 :: 1.2700 HG22 :: 1.2700 HG23 :: 1.2700 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 :: 117.1550 Ave N Shift Values>> N :: 115.42(4.75) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.1 G 0.06 A 0.02 HN Overlap>> 1.S67 1.S67 C Shift Assignments>> CA :: 58.6000 CB :: 42.6900 CG1 :: 26.3200 CG2 :: 19.4650 CD1 :: 15.7100 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 :: 9.3480 HB :: 1.9800 HG12 :: 0.9800 HG13 :: 1.3400 HG21 :: 0.9200 HG22 :: 0.9200 HG23 :: 0.9200 HD11 :: 0.5480 HD12 :: 0.5480 HD13 :: 0.5480 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 :: 121.0040 Ave N Shift Values>> N :: 121.46(4.28) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.3780 CA :: 60.0800 CB :: 38.7500 CG1 :: 27.7300 CG2 :: 17.1500 CD1 :: 12.6800 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>> HA :: 4.7400 HB :: 1.7300 HG12 :: 1.0700 HG13 :: 1.4300 HG21 :: 0.7100 HG22 :: 0.7100 HG23 :: 0.7100 HD11 :: 0.8100 HD12 :: 0.8100 HD13 :: 0.8100 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) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 G 0.27 C 0.2 R 0.08 C Shift Assignments>> C :: 174.9820 CA :: 53.9100 CB :: 44.2300 CG :: 27.4100 CD1 :: 25.9200 CD2 :: 25.5900 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 :: 9.6100 HA :: 4.8500 HB2 :: 1.1900 HB3 :: 1.6300 HD11 :: 0.3980 HD12 :: 0.3980 HD13 :: 0.3980 HD21 :: 0.3330 HD22 :: 0.3330 HD23 :: 0.3330 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 :: 131.4000 Ave N Shift Values>> N :: 121.86(3.9) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I64 1.I64 C Shift Assignments>> C :: 174.4050 CA :: 57.1950 CB :: 64.6950 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.2600 HA :: 5.4050 HB2 :: 3.4400 HB3 :: 3.7290 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 :: 120.9900 Ave N Shift Values>> N :: 116.28(3.52) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 173.8910 CA :: 62.3500 CB :: 33.7500 CG1 :: 20.6600 CG2 :: 22.1800 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 :: 9.2250 HA :: 4.4930 HB :: 2.0800 HG11 :: 0.9300 HG12 :: 0.9300 HG13 :: 0.9300 HG21 :: 0.7910 HG22 :: 0.7910 HG23 :: 0.7910 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 :: 128.1760 Ave N Shift Values>> N :: 121.14(4.54) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 S 0.14 C Shift Assignments>> C :: 173.1880 CA :: 57.1950 CB :: 67.9760 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8690 HA :: 4.8370 HB2 :: 3.8650 HB3 :: 3.8650 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 :: 121.6970 Ave N Shift Values>> N :: 116.28(3.52) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.28 C 0.02 C Shift Assignments>> C :: 176.7140 CA :: 53.9100 CB :: 18.6000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8100 HA :: 4.1500 HB1 :: 1.3000 HB2 :: 1.3000 HB3 :: 1.3000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.6890 Ave N Shift Values>> N :: 123.23(3.54) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 C 0.18 M 0.17 Q 0.17 R 0.07 H 0.06 W 0.05 V 0.03 E 0.03 C Shift Assignments>> C :: 177.0330 CA :: 57.1950 CB :: 33.2890 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 :: 7.8300 HA :: 4.2750 HB2 :: 1.8640 HB3 :: 1.6050 HG2 :: 1.4370 HG3 :: 1.4370 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 :: 112.6330 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G72 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>> CA :: 45.4760 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6850 HA2 :: 3.5020 HA3 :: 4.9720 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.4320 Ave N Shift Values>> N :: 109.67(3.87) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.29 C Shift Assignments>> CA :: 60.4700 CB :: 35.6300 CG1 :: 22.8700 CG2 :: 22.6800 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 :: 8.6200 HA :: 5.0000 HB :: 1.9400 HG11 :: 0.7300 HG12 :: 0.7300 HG13 :: 0.7300 HG21 :: 0.9600 HG22 :: 0.9600 HG23 :: 0.9600 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 :: 120.4140 Ave N Shift Values>> N :: 121.14(4.54) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 K 0.2 L 0.03 E 0.02 I 0.02 Q 0.01 C Shift Assignments>> CA :: 54.3830 CB :: 36.5700 CG :: 25.1200 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 :: 8.7830 HA :: 5.0160 HB2 :: 1.6960 HB3 :: 1.6960 HG2 :: 1.5530 HG3 :: 1.5530 HD2 :: 1.2400 HD3 :: 1.4070 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 :: 125.2570 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.39 C 0.17 C Shift Assignments>> CA :: 53.9200 CB :: 40.6100 CD1 :: 130.4600 CE1 :: 131.4600 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 :: 8.4320 HA :: 5.7000 HB2 :: 2.9500 HB3 :: 2.9200 HD2 :: 6.5900 HE2 :: 6.7100 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 :: 119.4140 Ave N Shift Values>> N :: 120.45(4.18) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 C Shift Assignments>> C :: 175.2490 CA :: 59.0700 CB :: 41.2200 CG1 :: 27.6400 CG2 :: 17.1000 CD1 :: 13.5900 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 :: 8.9600 HA :: 4.8400 HB :: 1.6610 HG12 :: 1.0700 HG13 :: 1.5900 HG21 :: 0.7000 HG22 :: 0.7000 HG23 :: 0.7000 HD11 :: 0.7300 HD12 :: 0.7300 HD13 :: 0.7300 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 :: 121.4300 Ave N Shift Values>> N :: 121.46(4.28) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.31 D 0.08 G 0.07 F 0.06 C 0.05 K 0.03 Y 0.03 C Shift Assignments>> C :: 177.5690 CA :: 55.7890 CB :: 43.6010 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 :: 8.7500 HA :: 4.5630 HB2 :: 3.1980 HB3 :: 2.5840 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 :: 125.7440 Ave N Shift Values>> N :: 120.65(3.86) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.37 C 0.03 I 0.02 C Shift Assignments>> C :: 178.0520 CA :: 54.8300 CB :: 18.7930 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7000 HA :: 3.9700 HB1 :: 1.3300 HB2 :: 1.3300 HB3 :: 1.3300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.6320 Ave N Shift Values>> N :: 123.23(3.54) 1.T79 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 :: 175.5870 CA :: 64.6950 CB :: 69.3820 CG2 :: 21.6600 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 :: 8.7790 HA :: 4.1940 HB :: 3.9490 HG21 :: 1.2900 HG22 :: 1.2900 HG23 :: 1.2900 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 :: 113.0870 Ave N Shift Values>> N :: 115.42(4.75) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.24 F 0.08 C 0.08 L 0.08 Y 0.07 C Shift Assignments>> CA :: 53.4450 CB :: 39.3830 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 :: 8.5840 HA :: 4.7370 HB2 :: 2.7100 HB3 :: 2.9680 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 :: 118.4340 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 L 0.24 C 0.18 R 0.07 I 0.03 Q 0.02 W 0.01 H 0.01 C Shift Assignments>> C :: 174.9090 CA :: 57.6640 CG :: 25.0670 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9660 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 :: 112.4290 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.13 C 0.1 Y 0.06 F 0.06 L 0.03 M 0.01 E 0.01 C Shift Assignments>> C :: 174.9990 CA :: 52.9760 CB :: 38.4450 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 :: 8.4550 HA :: 4.5900 HB2 :: 2.5850 HB3 :: 2.7200 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 :: 116.8060 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 HN Overlap>> 1.A24 1.A24 C Shift Assignments>> C :: 176.5720 CA :: 62.3500 CB :: 37.9700 CG1 :: 28.4500 CG2 :: 17.7900 CD1 :: 13.3800 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 :: 8.6500 HA :: 4.0300 HB :: 1.7360 HG12 :: 0.9500 HG13 :: 1.6200 HG21 :: 0.6700 HG22 :: 0.6700 HG23 :: 0.6700 HD11 :: 0.8100 HD12 :: 0.8100 HD13 :: 0.8100 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 :: 122.4470 Ave N Shift Values>> N :: 121.46(4.28) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 175.8730 CA :: 62.8100 CB :: 38.8400 CG1 :: 28.0000 CG2 :: 17.3400 CD1 :: 14.0000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.9300 HA :: 3.9200 HB :: 1.4700 HG12 :: 1.0700 HG13 :: 1.0700 HG21 :: 0.8500 HG22 :: 0.8500 HG23 :: 0.8500 HD11 :: 0.9100 HD12 :: 0.9100 HD13 :: 0.9100 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 :: 129.3390 Ave N Shift Values>> N :: 121.46(4.28) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 N 0.22 P 0.15 D 0.09 L 0.04 C 0.03 M 0.03 H 0.02 R 0.01 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> C :: 174.1000 CA :: 51.5700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.0480 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.8670 Ave N Shift Values>> N :: 123.23(3.54) 1.E86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.25 Q 0.19 M 0.18 K 0.12 V 0.12 E 0.04 H 0.01 R 0.01 P 0.01 I 0.01 W 0.01 C Shift Assignments>> C :: 174.9860 CB :: 34.3500 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 :: 5.1540 HB2 :: 3.0300 HB3 :: 2.9000 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.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.41 M 0.08 I 0.04 K 0.02 Q 0.01 C Shift Assignments>> C :: 179.0470 CA :: 56.7260 CB :: 30.4770 CG :: 37.1050 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 :: 9.1060 HA :: 4.5210 HB2 :: 2.3300 HB3 :: 2.3300 HG2 :: 2.4340 HG3 :: 2.4340 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 :: 125.3720 Ave N Shift Values>> N :: 120.67(3.48) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 176.0950 CA :: 62.3510 CB :: 38.9140 CG2 :: 18.6100 CD1 :: 13.7800 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 :: 8.0550 HA :: 4.0190 HB :: 1.3700 HG12 :: 0.9700 HG13 :: 1.2900 HG21 :: 0.9560 HG22 :: 0.9560 HG23 :: 0.9560 HD11 :: 0.7300 HD12 :: 0.7300 HD13 :: 0.7300 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.1320 Ave N Shift Values>> N :: 121.46(4.28) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.42 K 0.1 L 0.02 C Shift Assignments>> C :: 176.5780 CA :: 57.6640 CB :: 29.0700 CG :: 27.3050 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 :: 8.0450 HA :: 4.3380 HB2 :: 1.7590 HB3 :: 1.7590 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.9490 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.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.29 L 0.09 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 174.5950 CA :: 52.5080 CB :: 39.8520 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 :: 8.0670 HA :: 5.1530 HB2 :: 2.8880 HB3 :: 3.3810 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 :: 116.3200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I92 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 :: 175.2290 CA :: 61.8800 CB :: 39.8500 CG1 :: 27.1400 CG2 :: 16.3000 CD1 :: 14.2700 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 :: 7.4830 HA :: 5.0730 HB :: 1.9200 HG21 :: 0.7200 HG22 :: 0.7200 HG23 :: 0.7200 HD11 :: 0.5300 HD12 :: 0.5300 HD13 :: 0.5300 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 :: 122.4410 Ave N Shift Values>> N :: 121.46(4.28) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.82 T 0.17 C Shift Assignments>> CA :: 57.6640 CB :: 66.5700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.5450 HA :: 4.6840 HB2 :: 3.9620 HB3 :: 3.8790 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 :: 120.3290 Ave N Shift Values>> N :: 116.28(3.52) 1.C94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 I 0.23 R 0.16 K 0.1 L 0.07 W 0.06 Q 0.04 H 0.03 E 0.02 P 0.01 C Shift Assignments>> C :: 173.9730 CA :: 59.5390 CB :: 26.2580 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8580 HA :: 3.8120 HB2 :: 2.8740 HB3 :: 2.6370 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 :: 110.9000 Ave N Shift Values>> N :: 120.17(4.64) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 178.0980 CA :: 52.6500 CB :: 19.3000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3600 HA :: 4.4300 HB1 :: 1.4400 HB2 :: 1.4400 HB3 :: 1.4400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3790 Ave N Shift Values>> N :: 123.23(3.54) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 A 0.27 C 0.12 K 0.04 HN Overlap>> 1.F105 1.F105 C Shift Assignments>> C :: 175.7160 CA :: 52.4400 CB :: 22.7000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0800 HA :: 4.6800 HB1 :: 1.4360 HB2 :: 1.4360 HB3 :: 1.4360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5760 Ave N Shift Values>> N :: 123.23(3.54) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.22 E 0.11 C Shift Assignments>> C :: 175.2700 CA :: 54.8510 CB :: 33.7580 CG :: 36.4600 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 :: 8.3690 HA :: 4.9300 HB2 :: 1.7690 HB3 :: 2.2280 HG2 :: 2.1210 HG3 :: 2.1210 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 :: 116.9030 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.26 N 0.09 K 0.08 R 0.07 C 0.05 F 0.04 Y 0.02 G 0.02 C Shift Assignments>> C :: 175.2170 CA :: 52.0390 CB :: 42.1950 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 :: 8.3950 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 :: 124.9710 Ave N Shift Values>> N :: 120.65(3.86) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.16 I 0.01 C Shift Assignments>> C :: 178.4330 CA :: 64.6950 CB :: 32.3520 CG :: 27.3540 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 :: 4.2340 HB2 :: 1.9410 HB3 :: 2.2920 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.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.4 M 0.13 I 0.02 K 0.01 Q 0.01 C Shift Assignments>> C :: 176.6780 CA :: 56.7260 CB :: 30.9450 CG :: 36.8350 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 :: 8.6430 HA :: 4.2200 HB2 :: 1.8010 HB3 :: 2.1060 HG2 :: 2.2640 HG3 :: 2.2640 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.2230 Ave N Shift Values>> N :: 120.67(3.48) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.19 N 0.16 F 0.09 Y 0.07 C 0.06 K 0.05 C Shift Assignments>> C :: 174.7710 CA :: 53.9140 CB :: 40.7890 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 :: 7.5970 HA :: 4.5430 HB2 :: 2.4380 HB3 :: 2.5030 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.0530 Ave N Shift Values>> N :: 120.65(3.86) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.32 R 0.22 G 0.02 C Shift Assignments>> C :: 177.1410 CA :: 57.6600 CB :: 42.6600 CG :: 28.1400 CD1 :: 23.7600 CD2 :: 25.6900 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 :: 8.5340 HA :: 4.3900 HB2 :: 1.6270 HB3 :: 1.6270 HD11 :: 0.8240 HD12 :: 0.8240 HD13 :: 0.8240 HD21 :: 0.9200 HD22 :: 0.9200 HD23 :: 0.9200 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 :: 123.9860 Ave N Shift Values>> N :: 121.86(3.9) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1060 CA :: 60.9450 CB :: 63.7570 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8670 HA :: 4.2900 HB2 :: 3.7370 HB3 :: 3.9450 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 :: 112.3390 Ave N Shift Values>> N :: 116.28(3.52) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.A23 1.A23 C Shift Assignments>> CA :: 63.2890 CB :: 69.3820 CG2 :: 21.2900 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 :: 8.8300 HA :: 5.3730 HB :: 4.4130 HG21 :: 1.2490 HG22 :: 1.2490 HG23 :: 1.2490 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 :: 123.0700 Ave N Shift Values>> N :: 115.42(4.75) 1.F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.42 C 0.15 HN Overlap>> 1.A96 1.A96 C Shift Assignments>> C :: 179.2110 CA :: 55.3200 CB :: 41.7900 CD1 :: 131.9400 CE1 :: 129.4300 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 :: 9.1700 HA :: 5.4700 HB2 :: 3.0200 HB3 :: 2.8100 HD2 :: 7.0500 HE2 :: 6.6900 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 :: 122.5820 Ave N Shift Values>> N :: 120.45(4.18) 1.A106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.M29 1.M29 C Shift Assignments>> C :: 175.6030 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7700 HB1 :: 1.2300 HB2 :: 1.2300 HB3 :: 1.2300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.5670 Ave N Shift Values>> N :: 123.23(3.54) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> CA :: 57.0800 CB :: 40.7890 CD1 :: 132.9600 CE1 :: 117.4400 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 :: 7.9500 HA :: 4.9200 HB2 :: 3.1700 HB3 :: 2.9800 HD2 :: 6.8900 HE2 :: 6.6700 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 :: 131.0400 Ave N Shift Values>> N :: 120.52(4.2) 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 :: 176.2120 CA :: 59.5400 CB :: 39.3800 CG1 :: 28.7700 CG2 :: 18.3100 CD1 :: 13.3800 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 :: 8.8690 HA :: 5.3700 HB :: 1.8200 HG12 :: 0.9500 HG13 :: 0.8000 HG21 :: 0.8900 HG22 :: 0.8900 HG23 :: 0.8900 HD11 :: 0.6500 HD12 :: 0.6500 HD13 :: 0.6500 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 :: 120.6130 Ave N Shift Values>> N :: 121.46(4.28) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.41 T 0.36 C 0.13 L 0.04 I 0.01 M 0.01 C Shift Assignments>> C :: 173.5050 CA :: 59.0700 CG2 :: 21.0610 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 :: 9.4890 HA :: 5.6690 HB :: 4.0870 HG21 :: 0.8440 HG22 :: 0.8440 HG23 :: 0.8440 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 :: 116.5050 Ave N Shift Values>> N :: 115.42(4.75) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.43 C Shift Assignments>> C :: 175.9370 CA :: 55.7890 CB :: 34.2270 CG :: 24.8920 CD :: 29.0700 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 :: 7.8310 HA :: 4.4600 HB2 :: 1.5970 HB3 :: 1.7690 HG2 :: 1.5970 HG3 :: 1.5970 HD3 :: 1.0520 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 :: 122.9600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.23 D 0.18 K 0.06 G 0.05 C 0.04 F 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 176.3960 CA :: 53.9140 CB :: 43.1330 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 :: 8.7690 HA :: 4.7810 HB2 :: 2.6220 HB3 :: 3.0280 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 :: 127.4090 Ave N Shift Values>> N :: 120.65(3.86) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.4 R 0.04 C Shift Assignments>> C :: 178.5530 CA :: 57.1900 CB :: 41.7900 CG :: 27.6300 CD1 :: 25.0000 CD2 :: 22.9800 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 :: 8.5930 HA :: 4.1500 HB2 :: 1.8200 HB3 :: 1.6800 HD11 :: 1.0000 HD12 :: 1.0000 HD13 :: 1.0000 HD21 :: 0.8700 HD22 :: 0.8700 HD23 :: 0.8700 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 :: 125.9130 Ave N Shift Values>> N :: 121.86(3.9) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.06 Q 0.03 V 0.02 HN Overlap>> 1.T63 1.T63 C Shift Assignments>> C :: 177.1800 CA :: 58.1330 CB :: 32.8200 CG :: 24.9570 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 :: 8.2070 HA :: 4.2620 HB2 :: 1.9390 HB3 :: 1.9390 HD2 :: 1.3850 HD3 :: 1.4840 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 :: 117.1890 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 58.6010 CB :: 65.1640 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7550 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 :: 112.4920 Ave N Shift Values>> N :: 116.28(3.52) 1.N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.39 C 0.15 Y 0.12 F 0.1 D 0.09 E 0.05 M 0.02 L 0.02 I 0.01 C Shift Assignments>> C :: 174.2030 CA :: 54.3830 CB :: 37.9770 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>> HA :: 4.3890 HB2 :: 3.0010 HB3 :: 2.7360 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) 1.H116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.17 C 0.15 Q 0.11 R 0.1 H 0.1 W 0.06 E 0.04 HN Overlap>> 1.C51 1.C51 C Shift Assignments>> C :: 173.8980 CA :: 54.9100 CB :: 32.6500 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 :: 7.6900 HA :: 4.9300 HB2 :: 2.9000 HB3 :: 2.7800 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 :: 116.8220 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 K 0.17 C 0.15 R 0.12 H 0.11 W 0.08 Q 0.08 E 0.06 V 0.01 C Shift Assignments>> C :: 173.6950 CA :: 56.3500 CB :: 32.3500 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.3400 HA :: 5.3200 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.2530 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.25 G 0.16 C Shift Assignments>> C :: 173.5300 CA :: 56.7300 CB :: 43.2400 CD1 :: 132.4300 CE1 :: 118.4400 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 :: 9.0800 HA :: 5.0100 HB2 :: 2.6400 HB3 :: 2.2500 HD1 :: 6.7500 HE1 :: 6.7000 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 :: 118.3010 Ave N Shift Values>> N :: 120.52(4.2) 1.C119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 H 0.14 E 0.13 W 0.13 K 0.12 R 0.12 C 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 180.6640 CA :: 56.7260 CB :: 29.5390 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.1200 HA :: 5.0630 HB2 :: 2.3870 HB3 :: 2.3870 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 :: 121.0150 Ave N Shift Values>> N :: 120.17(4.64) 1.H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.16 C 0.15 R 0.12 H 0.11 Q 0.08 W 0.07 E 0.05 C Shift Assignments>> CA :: 55.3200 CB :: 32.3520 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.4820 HA :: 4.6990 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 :: 131.2000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 HN Overlap>> 1.D42 1.D42 1.K13 1.K13 C Shift Assignments>> C :: 173.4190 CA :: 61.4100 CB :: 33.2800 CG1 :: 20.9800 CG2 :: 23.4700 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 :: 7.9290 HA :: 4.3500 HB :: 1.5200 HG11 :: 0.6900 HG12 :: 0.6900 HG13 :: 0.6900 HG21 :: 0.9400 HG22 :: 0.9400 HG23 :: 0.9400 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 :: 120.8550 Ave N Shift Values>> N :: 121.14(4.54) 1.F122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.67 F 0.13 C 0.11 Y 0.07 C Shift Assignments>> C :: 174.8760 CA :: 55.3200 CB :: 44.5400 CD1 :: 131.9400 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 :: 8.9100 HA :: 5.4200 HB2 :: 2.4600 HB3 :: 1.0900(S) HD1 :: 6.5400 HE1 :: 6.9000 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 :: 124.3840 Ave N Shift Values>> N :: 120.45(4.18) 1.T123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.0960 CA :: 61.8430 CB :: 71.2180 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 :: 8.6680 HA :: 5.1470 HB :: 3.7130 HG21 :: 0.9550 HG22 :: 0.9550 HG23 :: 0.9550 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 :: 112.4510 Ave N Shift Values>> N :: 115.42(4.75) 1.A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 177.1680 CA :: 50.8900 CB :: 21.1000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1800 HA :: 4.7200 HB1 :: 1.7000 HB2 :: 1.7000 HB3 :: 1.7000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.9220 Ave N Shift Values>> N :: 123.23(3.54) 1.F125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.35 C 0.27 C Shift Assignments>> C :: 174.7030 CA :: 60.4700 CB :: 38.0600 CD1 :: 131.4900 CE1 :: 131.4900 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 :: 8.5600 HA :: 4.2900 HB2 :: 3.3000 HB3 :: 3.2400 HD2 :: 7.2800 HE2 :: 7.2800 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 :: 115.4270 Ave N Shift Values>> N :: 120.45(4.18) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 G 0.29 R 0.17 D 0.1 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.5320 CA :: 53.4450 CB :: 44.0700 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 :: 7.4170 HA :: 4.8430 HB2 :: 2.8970 HB3 :: 2.7050 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 :: 115.7450 Ave N Shift Values>> N :: 120.65(3.86) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 176.8630 CA :: 65.6300 CB :: 31.8300 CG1 :: 21.0200 CG2 :: 21.2000 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 :: 8.5080 HA :: 3.5900 HB :: 2.0500 HG11 :: 0.9900 HG12 :: 0.9900 HG13 :: 0.9900 HG21 :: 0.9600 HG22 :: 0.9600 HG23 :: 0.9600 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 :: 121.9230 Ave N Shift Values>> N :: 121.14(4.54) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.2 F 0.18 N 0.11 E 0.09 D 0.05 I 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 178.2510 CA :: 56.2580 CB :: 37.9770 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 :: 8.2070 HA :: 4.4760 HB2 :: 2.7560 HB3 :: 2.9580 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 :: 118.8510 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.39 R 0.02 C Shift Assignments>> C :: 178.0030 CA :: 57.1900 CB :: 41.7900 CG :: 27.3200 CD1 :: 24.8900 CD2 :: 24.8000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2230 HA :: 4.2100 HB2 :: 1.8500 HB3 :: 1.6900 HD11 :: 1.2210 HD12 :: 1.2210 HD13 :: 1.2210 HD21 :: 1.1900 HD22 :: 1.1900 HD23 :: 1.1900 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 :: 122.5490 Ave N Shift Values>> N :: 121.86(3.9) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.4 C 0.06 I 0.04 V 0.02 L 0.01 C Shift Assignments>> C :: 178.1720 CA :: 55.7800 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 :: 7.3600 HA :: 3.3100 HB1 :: 1.5900 HB2 :: 1.5900 HB3 :: 1.5900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.0360 Ave N Shift Values>> N :: 123.23(3.54) 1.A131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.24 I 0.06 C 0.02 C Shift Assignments>> C :: 180.1630 CA :: 55.7800 CB :: 17.8300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3600 HA :: 3.7100 HB1 :: 1.4870 HB2 :: 1.4870 HB3 :: 1.4870 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.9890 Ave N Shift Values>> N :: 123.23(3.54) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.17 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.2430 CA :: 59.5390 CB :: 29.5390 CG :: 36.3250 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 :: 7.6730 HA :: 3.8880 HB2 :: 2.1600 HB3 :: 1.4930 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.4620 Ave N Shift Values>> N :: 120.67(3.48) 1.I133 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 177.4210 CA :: 66.4900 CB :: 36.6500 CG1 :: 27.7260 CG2 :: 16.7400 CD1 :: 14.1200 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 :: 8.1540 HA :: 2.7800 HB :: 0.8200(S) HG12 :: 0.8800 HG13 :: 0.8800 HG21 :: 0.0600 HG22 :: 0.0600 HG23 :: 0.0600 HD11 :: 0.1700 HD12 :: 0.1700 HD13 :: 0.1700 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 :: 123.2180 Ave N Shift Values>> N :: 121.46(4.28) 1.I134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 179.3850 CA :: 63.2800 CB :: 36.1000 CG1 :: 27.1800 CG2 :: 17.3900 CD1 :: 10.6500 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 :: 7.3760 HA :: 3.5400 HB :: 1.9100 HG12 :: 1.3700 HG13 :: 1.2500 HG21 :: 0.8500 HG22 :: 0.8500 HG23 :: 0.8500 HD11 :: 0.7300 HD12 :: 0.7300 HD13 :: 0.7300 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 :: 118.2440 Ave N Shift Values>> N :: 121.46(4.28) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 R 0.01 C Shift Assignments>> C :: 179.8580 CA :: 58.1900 CB :: 41.8600 CG :: 26.9500 CD1 :: 24.5600 CD2 :: 24.4000 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 :: 8.0360 HA :: 4.1900 HB2 :: 1.7800 HB3 :: 1.7200 HD11 :: 0.8900 HD12 :: 0.8900 HD13 :: 0.8900 HD21 :: 0.9330 HD22 :: 0.9330 HD23 :: 0.9330 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 :: 123.0610 Ave N Shift Values>> N :: 121.86(3.9) 1.T136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 S 0.08 C Shift Assignments>> C :: 176.0880 CA :: 58.6010 CB :: 67.9760 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 :: 8.5080 HA :: 3.7250 HG21 :: 1.2860 HG22 :: 1.2860 HG23 :: 1.2860 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 :: 119.6470 Ave N Shift Values>> N :: 115.42(4.75) 1.L137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.42 R 0.01 C Shift Assignments>> C :: 178.3410 CA :: 58.2600 CB :: 41.5500 CG :: 26.9500 CD1 :: 24.9600 CD2 :: 24.4800 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 :: 8.5200 HA :: 3.7400 HB2 :: 1.6400 HB3 :: 1.3700 HG :: 1.5100 HD11 :: 0.6000 HD12 :: 0.6000 HD13 :: 0.6000 HD21 :: 0.5400 HD22 :: 0.5400 HD23 :: 0.5400 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 :: 123.1820 Ave N Shift Values>> N :: 121.86(3.9) 1.G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 176.9730 CA :: 47.3510 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8580 HA2 :: 4.0110 HA3 :: 3.8790 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.2660 Ave N Shift Values>> N :: 109.67(3.87) 1.Q139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.25 K 0.23 R 0.09 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 177.8910 CA :: 58.6010 CB :: 28.1330 CG :: 33.6880 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 :: 8.1950 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 :: 123.4850 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.2 I 0.06 C 0.02 C Shift Assignments>> C :: 178.9870 CA :: 55.7800 CB :: 17.4100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5300 HA :: 3.7090 HB1 :: 1.2700 HB2 :: 1.2700 HB3 :: 1.2700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7540 Ave N Shift Values>> N :: 123.23(3.54) 1.F141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.38 C 0.21 C Shift Assignments>> C :: 178.1290 CA :: 61.2400 CB :: 39.3830 CD1 :: 131.9400 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 :: 7.9200 HA :: 4.0900 HB2 :: 3.3000 HB3 :: 3.1800 HD2 :: 7.3200 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.2750 Ave N Shift Values>> N :: 120.45(4.18) 1.E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 I 0.18 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.2500 CA :: 59.5390 CB :: 29.5390 CG :: 36.4070 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 :: 7.7130 HA :: 4.2270 HB2 :: 2.2360 HB3 :: 2.2920 HG2 :: 2.5100 HG3 :: 2.4370 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.9670 Ave N Shift Values>> N :: 120.67(3.48) 1.V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 178.0660 CA :: 66.5700 CB :: 31.8830 CG1 :: 23.3280 CG2 :: 21.9850 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 :: 8.6080 HA :: 3.6830 HB :: 2.0310 HG11 :: 0.9800 HG12 :: 0.9800 HG13 :: 0.9800 HG21 :: 0.8820 HG22 :: 0.8820 HG23 :: 0.8820 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 :: 120.1890 Ave N Shift Values>> N :: 121.14(4.54) 1.A144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.36 I 0.05 C 0.05 V 0.01 C Shift Assignments>> C :: 180.7760 CA :: 55.7800 CB :: 18.7700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3990 HA :: 4.0000 HB1 :: 1.6000 HB2 :: 1.6000 HB3 :: 1.6000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7530 Ave N Shift Values>> N :: 123.23(3.54) 1.Y145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 HN Overlap>> 1.R48 1.R48 C Shift Assignments>> C :: 177.6450 CA :: 60.8800 CB :: 37.9800 CD1 :: 133.4500 CE1 :: 117.9400 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 :: 8.1900 HA :: 4.1900 HB2 :: 3.2100 HB3 :: 3.0100 HD2 :: 7.1300 HE2 :: 6.8300 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 :: 119.9620 Ave N Shift Values>> N :: 120.52(4.2) 1.Q146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.25 K 0.23 R 0.09 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 179.3920 CA :: 58.6010 CB :: 28.1330 CG :: 33.6800 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 :: 8.1010 HA :: 3.9130 HB2 :: 2.2010 HB3 :: 2.2010 HG2 :: 2.6040 HG3 :: 2.6040 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 :: 118.5570 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.43 R 0.06 G 0.01 C Shift Assignments>> C :: 179.6000 CA :: 57.6600 CB :: 42.1900 CG :: 26.7000 CD1 :: 22.8200 CD2 :: 25.5800 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 :: 8.3750 HA :: 4.1000 HB2 :: 1.8900 HB3 :: 1.5400 HD11 :: 0.8200 HD12 :: 0.8200 HD13 :: 0.8200 HD21 :: 0.8200 HD22 :: 0.8200 HD23 :: 0.8200 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 :: 119.8110 Ave N Shift Values>> N :: 121.86(3.9) 1.A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.43 C 0.01 I 0.01 C Shift Assignments>> C :: 179.8730 CA :: 54.1000 CB :: 17.8600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7300 HA :: 4.1400 HB1 :: 1.4200 HB2 :: 1.4200 HB3 :: 1.4200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9190 Ave N Shift Values>> N :: 123.23(3.54) 1.L149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.35 R 0.02 HN Overlap>> 1.W7 1.W7 C Shift Assignments>> C :: 179.1730 CA :: 56.9000 CB :: 42.0900 CG :: 26.6300 CD1 :: 24.8900 CD2 :: 23.1700 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 :: 7.7000 HA :: 4.0800 HB2 :: 1.7200 HB3 :: 1.5700 HD11 :: 0.7700 HD12 :: 0.7700 HD13 :: 0.7700 HD21 :: 0.7600 HD22 :: 0.7600 HD23 :: 0.7600 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 :: 119.1420 Ave N Shift Values>> N :: 121.86(3.9) 1.Q150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.26 E 0.09 R 0.03 M 0.03 I 0.01 C Shift Assignments>> C :: 176.5880 CA :: 57.1950 CB :: 29.0700 CG :: 34.0170 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 :: 7.7480 HA :: 4.1490 HB2 :: 2.0710 HB3 :: 2.1600 HG2 :: 2.5050 HG3 :: 2.4280 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 :: 117.6730 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.17 C 0.01 C Shift Assignments>> C :: 177.8550 CA :: 52.8600 CB :: 18.6600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7200 HA :: 4.2500 HB1 :: 1.4200 HB2 :: 1.4200 HB3 :: 1.4200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.0820 Ave N Shift Values>> N :: 123.23(3.54) 1.R152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 G 0.08 K 0.03 C Shift Assignments>> C :: 176.1330 CA :: 56.2580 CB :: 30.9450 CG :: 27.0200 CD :: 43.5530 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 :: 7.7860 HA :: 4.2630 HB2 :: 1.8730 HB3 :: 1.8730 HG2 :: 1.6320 HG3 :: 1.6900 HD2 :: 3.1740 HD3 :: 3.1740 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 :: 118.7520 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.K153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.4 R 0.1 C Shift Assignments>> C :: 176.2300 CA :: 56.2580 CB :: 33.2890 CG :: 24.8370 CD :: 29.1310 CE :: 42.1970 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 :: 8.0910 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 :: 122.0470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 150 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 145 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 153 #Suspicious: 0 C Shift Results: #Consistent: 561 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 854 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 134 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G27 H = 5.8910(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7521e-04 1.G27 HA3 = 2.6500(S), Expected = 3.90, Std = 0.3700, ChiSquare = 7.2915e-04 1.F122 HB3 = 1.0900(S), Expected = 2.93, Std = 0.4000, ChiSquare = 4.2249e-06 1.I133 HB = 0.8200(S), Expected = 1.78, Std = 0.2900, ChiSquare = 9.3181e-04