Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 170.8860 CA :: 56.9580 CB :: 63.9310 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.6870 HB2 :: 3.9060 HB3 :: 4.0750 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 L 0.34 K 0.01 C Shift Assignments>> C :: 175.3680 CA :: 51.4450 CB :: 22.2020 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3860 HA :: 4.7370 HB1 :: 1.4070 HB2 :: 1.4070 HB3 :: 1.4070 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6280 Ave N Shift Values>> N :: 123.23(3.54) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.18 G 0.01 HN Overlap>> 1.V142 1.V142 C Shift Assignments>> C :: 175.2980 CA :: 55.4860 CB :: 34.9960 CG :: 24.9420 CD :: 29.5170 CE :: 41.9750 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 :: 8.5750 HA :: 5.1510 HB2 :: 1.6600 HB3 :: 1.6600 HG2 :: 1.1410 HG3 :: 1.2510 HD2 :: 1.5460 HD3 :: 1.5460 HE2 :: 2.8340 HE3 :: 2.8340 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 :: 122.4880 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R110 1.R110 C Shift Assignments>> C :: 174.0640 CA :: 61.3460 CB :: 34.4250 CG1 :: 20.6000 CG2 :: 20.6000 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 :: 9.1260 HA :: 4.1790 HB :: 1.9380 HG11 :: 0.6660 HG12 :: 0.6660 HG13 :: 0.6660 HG21 :: 0.6660 HG22 :: 0.6660 HG23 :: 0.6660 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 :: 126.2150 Ave N Shift Values>> N :: 121.14(4.54) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 M 0.26 Q 0.03 K 0.03 I 0.01 C Shift Assignments>> C :: 175.8060 CA :: 55.4560 CB :: 30.8830 CG :: 36.7700 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 :: 8.5420 HA :: 5.0200 HB2 :: 1.9610 HB3 :: 1.9610 HG2 :: 2.0600 HG3 :: 2.2220 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 :: 127.0150 Ave N Shift Values>> N :: 120.67(3.48) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.24 R 0.05 A 0.01 C Shift Assignments>> C :: 175.0050 CA :: 53.5680 CB :: 44.9370 CG :: 27.1000 CD1 :: 27.6000 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 :: 8.8440 HA :: 4.7930 HB2 :: 1.4050 HB3 :: 1.5160 HG :: 1.4770 HD11 :: 0.8420 HD12 :: 0.8420 HD13 :: 0.8420 HD21 :: 0.8920 HD22 :: 0.8920 HD23 :: 0.8920 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.3540 Ave N Shift Values>> N :: 121.86(3.9) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 M 0.32 Q 0.13 K 0.08 HN Overlap>> 1.N13 1.N127 1.N13 1.N127 C Shift Assignments>> C :: 174.5170 CA :: 52.6800 CB :: 30.4450 CG :: 36.0000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7080 HA :: 4.8180 HB2 :: 2.1160 HB3 :: 1.9830 HG2 :: 2.2530 HG3 :: 2.2530 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.0900 Ave N Shift Values>> N :: 120.67(3.48) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.6590 CA :: 62.0440 CB :: 32.9370 CG :: 26.4200 CD :: 51.2700 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 :: 4.8010 HB2 :: 1.6200 HB3 :: 1.8350 HG2 :: 1.9910 HG3 :: 2.3000 HD2 :: 3.8530 HD3 :: 4.0650 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.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.1640 CA :: 61.5960 CB :: 33.4450 CG1 :: 21.0000 CG2 :: 21.0000 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 :: 8.5410 HA :: 4.2170 HB :: 2.0440 HG11 :: 0.9420 HG12 :: 0.9420 HG13 :: 0.9420 HG21 :: 1.0420 HG22 :: 1.0420 HG23 :: 1.0420 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.8250 Ave N Shift Values>> N :: 121.14(4.54) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 G 0.2 R 0.1 A 0.05 C Shift Assignments>> C :: 175.4350 CA :: 54.5670 CB :: 43.8700 CG :: 26.8600 CD1 :: 26.0500 CD2 :: 23.0300 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 :: 8.8480 HA :: 4.6260 HB2 :: 1.1800 HB3 :: 1.8890 HG :: 1.1680 HD11 :: 0.8550 HD12 :: 0.8550 HD13 :: 0.8550 HD21 :: 0.5740 HD22 :: 0.5740 HD23 :: 0.5740 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.9220 Ave N Shift Values>> N :: 121.86(3.9) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.25 N 0.12 K 0.1 F 0.06 Y 0.04 R 0.03 C Shift Assignments>> C :: 176.5480 CA :: 52.9920 CB :: 41.6210 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 :: 8.5720 HA :: 4.8000 HB2 :: 2.6190 HB3 :: 3.2810 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 :: 127.8020 Ave N Shift Values>> N :: 120.65(3.86) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.23 N 0.19 D 0.13 L 0.06 I 0.04 E 0.03 M 0.01 HN Overlap>> 1.E8 1.E8 1.N127 1.N127 C Shift Assignments>> C :: 176.0560 CA :: 55.8850 CB :: 38.6710 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 :: 8.7460 HA :: 4.3150 HB2 :: 2.7860 HB3 :: 2.7860 HD21 :: 7.5540 HD22 :: 6.8460 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 :: 124.1540 ND2 :: 112.1000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.28 I 0.01 C Shift Assignments>> C :: 179.3920 CA :: 54.3760 CB :: 19.0120 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5620 HA :: 4.3130 HB1 :: 1.5400 HB2 :: 1.5400 HB3 :: 1.5400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4800 Ave N Shift Values>> N :: 123.23(3.54) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.4710 CA :: 61.0700 CB :: 71.3700 CG2 :: 21.5030 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.3280 HA :: 4.4550 HB :: 4.2110 HG21 :: 1.1110 HG22 :: 1.1110 HG23 :: 1.1110 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 :: 104.7240 Ave N Shift Values>> N :: 115.42(4.75) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 173.5480 CA :: 46.4330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4260 HA2 :: 3.8080 HA3 :: 4.2840 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1580 Ave N Shift Values>> N :: 109.67(3.87) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.32 Q 0.09 K 0.03 C Shift Assignments>> C :: 174.6130 CA :: 55.4010 CB :: 31.0440 CG :: 36.0700 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 :: 7.4960 HA :: 4.3080 HB2 :: 1.5280 HB3 :: 2.0140 HG2 :: 1.8790 HG3 :: 2.1910 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.6010 Ave N Shift Values>> N :: 120.67(3.48) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 M 0.01 C Shift Assignments>> C :: 174.6990 CA :: 50.1030 CB :: 19.9130 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7510 HA :: 4.9940 HB1 :: 0.9790 HB2 :: 0.9790 HB3 :: 0.9790 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.8590 Ave N Shift Values>> N :: 123.23(3.54) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.35 G 0.01 HN Overlap>> 1.E143 1.E143 C Shift Assignments>> C :: 174.9810 CA :: 55.5040 CB :: 35.3550 CG :: 25.4900 CD :: 29.4300 CE :: 42.1700 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 :: 8.3680 HA :: 5.2100 HB2 :: 1.6590 HB3 :: 1.8600 HG2 :: 1.1460 HG3 :: 1.2400 HD2 :: 1.6250 HD3 :: 1.6250 HE2 :: 2.8100 HE3 :: 2.8100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.3140 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 A 0.35 K 0.05 P 0.02 C Shift Assignments>> C :: 174.5550 CA :: 50.2810 CB :: 23.2390 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.5560 HA :: 4.9760 HB1 :: 1.3520 HB2 :: 1.3520 HB3 :: 1.3520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.9390 Ave N Shift Values>> N :: 123.23(3.54) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 A 0.47 K 0.03 HN Overlap>> 1.V50 1.V50 C Shift Assignments>> C :: 174.5500 CA :: 50.9550 CB :: 22.7760 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2400 HA :: 5.1360 HB1 :: 1.2930 HB2 :: 1.2930 HB3 :: 1.2930 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.5750 Ave N Shift Values>> N :: 123.23(3.54) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 G 0.29 HN Overlap>> 1.L117 1.L117 C Shift Assignments>> C :: 171.6610 CA :: 59.6250 CB :: 42.7330 CG1 :: 29.8700 CG2 :: 15.8800 CD1 :: 15.0450 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 :: 7.6200 HA :: 4.6380 HB :: 1.5260 HG12 :: 1.6570 HG13 :: 1.5750 HG21 :: 0.8830 HG22 :: 0.8830 HG23 :: 0.8830 HD11 :: 0.7270 HD12 :: 0.7270 HD13 :: 0.7270 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 :: 118.2680 Ave N Shift Values>> N :: 121.46(4.28) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.3 R 0.12 K 0.07 N 0.06 G 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.3030 CA :: 51.9630 CB :: 42.5470 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 :: 7.6060 HA :: 4.7770 HB2 :: 2.6690 HB3 :: 3.1450 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 :: 125.3890 Ave N Shift Values>> N :: 120.65(3.86) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.22 K 0.09 Q 0.07 M 0.05 HN Overlap>> 1.N28 1.N28 C Shift Assignments>> C :: 177.1470 CA :: 59.9630 CB :: 29.9770 CG :: 35.9600 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 :: 8.8200 HA :: 4.0110 HB2 :: 2.1890 HB3 :: 2.2840 HG2 :: 2.4030 HG3 :: 2.4030 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 :: 118.3870 Ave N Shift Values>> N :: 120.67(3.48) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.37 K 0.07 Q 0.03 M 0.01 HN Overlap>> 1.K26 1.K26 C Shift Assignments>> C :: 179.3980 CA :: 59.9840 CB :: 29.4270 CG :: 36.4500 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 :: 8.3070 HA :: 4.1330 HB2 :: 2.0880 HB3 :: 2.1660 HG2 :: 2.3480 HG3 :: 2.2300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.2610 Ave N Shift Values>> N :: 120.67(3.48) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.31 G 0.01 HN Overlap>> 1.E25 1.E25 C Shift Assignments>> C :: 179.8510 CA :: 59.4970 CB :: 32.3990 CG :: 25.9200 CD :: 29.3700 CE :: 42.1900 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 :: 8.3070 HA :: 4.0080 HB2 :: 1.7160 HB3 :: 1.9450 HG2 :: 1.4860 HG3 :: 1.7090 HD2 :: 1.7340 HD3 :: 1.7340 HE2 :: 3.0280 HE3 :: 3.0280 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 :: 119.2610 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 HN Overlap>> 1.I125 1.I125 C Shift Assignments>> C :: 177.8580 CA :: 57.4870 CB :: 40.4210 CG :: 27.0200 CD1 :: 23.5400 CD2 :: 24.9300 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 :: 8.0540 HA :: 3.9650 HB2 :: 1.0380 HB3 :: 1.1810 HG :: 0.8800 HD11 :: 0.5030 HD12 :: 0.5030 HD13 :: 0.5030 HD21 :: -0.0430 HD22 :: -0.0430 HD23 :: -0.0430 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.4240 Ave N Shift Values>> N :: 121.86(3.9) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.23 N 0.13 E 0.12 I 0.06 D 0.06 M 0.03 L 0.02 HN Overlap>> 1.E24 1.E24 C Shift Assignments>> C :: 178.1510 CA :: 56.4130 CB :: 37.9600 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 :: 8.7510 HA :: 4.5210 HB2 :: 2.8420 HB3 :: 3.1000 HD21 :: 7.4360 HD22 :: 6.8800 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 :: 118.3390 ND2 :: 110.9100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.19 G 0.01 C Shift Assignments>> C :: 178.9360 CA :: 59.4470 CB :: 32.1450 CG :: 25.1900 CD :: 29.1700 CE :: 42.2400 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 :: 7.6560 HA :: 4.1120 HB2 :: 1.9370 HB3 :: 1.9370 HG2 :: 1.5060 HG3 :: 1.6360 HD2 :: 1.7280 HD3 :: 1.7280 HE2 :: 3.0220 HE3 :: 3.0220 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 :: 119.1930 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.45 I 0.02 C Shift Assignments>> C :: 179.3010 CA :: 54.7690 CB :: 18.0200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5090 HA :: 4.1310 HB1 :: 1.2770 HB2 :: 1.2770 HB3 :: 1.2770 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3440 Ave N Shift Values>> N :: 123.23(3.54) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 178.8490 CA :: 57.8340 CB :: 41.6170 CG :: 26.9800 CD1 :: 23.2000 CD2 :: 24.7400 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 :: 8.5100 HA :: 3.6670 HB2 :: 1.2890 HB3 :: 1.6950 HG :: 1.2470 HD11 :: 0.1430 HD12 :: 0.1430 HD13 :: 0.1430 HD21 :: 0.3920 HD22 :: 0.3920 HD23 :: 0.3920 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 :: 119.3760 Ave N Shift Values>> N :: 121.86(3.9) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.26 L 0.13 D 0.11 K 0.08 I 0.06 N 0.01 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> C :: 178.9970 CA :: 57.5200 CB :: 40.5480 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 :: 8.0500 HA :: 4.3320 HB2 :: 2.6470 HB3 :: 2.8290 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 :: 119.7990 Ave N Shift Values>> N :: 120.65(3.86) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.19 K 0.15 Q 0.09 M 0.02 C Shift Assignments>> C :: 179.5990 CA :: 58.9120 CB :: 29.2550 CG :: 36.0100 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 :: 7.5030 HA :: 4.0410 HB2 :: 2.1480 HB3 :: 2.1480 HG2 :: 2.3680 HG3 :: 2.3680 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 :: 118.9060 Ave N Shift Values>> N :: 120.67(3.48) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.38 I 0.01 HN Overlap>> 1.V114 1.V114 C Shift Assignments>> C :: 179.6650 CA :: 54.6300 CB :: 18.6450 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4440 HA :: 3.9900 HB1 :: 1.3920 HB2 :: 1.3920 HB3 :: 1.3920 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.1130 Ave N Shift Values>> N :: 123.23(3.54) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.33 G 0.01 HN Overlap>> 1.T92 1.T92 C Shift Assignments>> C :: 176.8530 CA :: 58.6970 CB :: 32.4780 CG :: 25.9300 CD :: 29.3100 CE :: 42.1700 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 :: 8.0500 HA :: 3.9900 HB2 :: 1.9130 HB3 :: 2.0140 HG2 :: 1.7070 HG3 :: 1.4790 HD2 :: 1.7350 HD3 :: 1.7350 HE2 :: 2.9780 HE3 :: 2.9780 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 :: 114.8640 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 G 0.01 C Shift Assignments>> C :: 176.8560 CA :: 57.4510 CB :: 32.6080 CG :: 25.1100 CD :: 29.3900 CE :: 42.1400 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 :: 7.3670 HA :: 4.2080 HB2 :: 1.8670 HB3 :: 1.9900 HG2 :: 1.6270 HG3 :: 1.4780 HD2 :: 1.7030 HD3 :: 1.7030 HE2 :: 3.0050 HE3 :: 3.0050 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 :: 117.2500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2630 CA :: 57.8670 CB :: 64.4620 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4700 HA :: 4.5270 HB2 :: 3.9230 HB3 :: 4.0130 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 :: 113.5450 Ave N Shift Values>> N :: 116.28(3.52) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 K 0.11 I 0.1 Q 0.07 M 0.07 C Shift Assignments>> C :: 176.5520 CA :: 57.7900 CB :: 29.8500 CG :: 36.3200 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 :: 8.5310 HA :: 4.1850 HB2 :: 1.9980 HB3 :: 2.1190 HG2 :: 2.3060 HG3 :: 2.3060 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.7960 Ave N Shift Values>> N :: 120.67(3.48) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 N 0.11 F 0.1 K 0.1 Y 0.08 R 0.01 C Shift Assignments>> C :: 175.4070 CA :: 54.3920 CB :: 41.0410 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 :: 8.2370 HA :: 4.6000 HB2 :: 2.6310 HB3 :: 2.7520 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 :: 118.5030 Ave N Shift Values>> N :: 120.65(3.86) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.22 N 0.13 F 0.1 K 0.09 Y 0.07 R 0.01 C Shift Assignments>> C :: 175.7050 CA :: 54.2090 CB :: 41.0250 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 :: 8.1170 HA :: 4.5720 HB2 :: 2.5290 HB3 :: 2.6290 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 :: 119.9070 Ave N Shift Values>> N :: 120.65(3.86) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.35 G 0.02 C Shift Assignments>> C :: 174.1510 CA :: 55.9340 CB :: 31.2940 CG :: 24.9000 CD :: 29.1000 CE :: 42.5000 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 :: 8.3000 HA :: 4.2840 HB2 :: 1.7390 HB3 :: 2.0420 HG2 :: 1.5110 HG3 :: 1.5110 HD2 :: 1.8030 HD3 :: 1.8030 HE2 :: 3.1670 HE3 :: 3.1670 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.9140 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.33 C Shift Assignments>> C :: 174.8530 CA :: 54.0260 CB :: 45.5710 CG :: 27.3900 CD1 :: 25.4400 CD2 :: 25.4400 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 :: 7.6540 HA :: 5.1720 HB2 :: 1.2800 HB3 :: 1.4130 HG :: 1.2310 HD11 :: 0.6880 HD12 :: 0.6880 HD13 :: 0.6880 HD21 :: 0.6880 HD22 :: 0.6880 HD23 :: 0.6880 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 :: 125.6360 Ave N Shift Values>> N :: 121.86(3.9) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A216 1.A216 C Shift Assignments>> C :: 173.8860 CA :: 60.5350 CB :: 34.0250 CG1 :: 21.1000 CG2 :: 21.5800 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 :: 8.0300 HA :: 4.5700 HB :: 1.7760 HG11 :: 0.5710 HG12 :: 0.5710 HG13 :: 0.5710 HG21 :: 0.6530 HG22 :: 0.6530 HG23 :: 0.6530 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.3430 Ave N Shift Values>> N :: 121.14(4.54) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.41 I 0.01 C Shift Assignments>> C :: 173.5070 CA :: 54.7310 CB :: 31.6590 CG :: 37.4700 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 :: 9.0610 HA :: 4.9420 HB2 :: 1.8430 HB3 :: 2.0120 HG2 :: 1.9560 HG3 :: 1.8590 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 :: 128.3710 Ave N Shift Values>> N :: 120.67(3.48) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 A 0.01 C Shift Assignments>> C :: 173.3920 CA :: 53.4130 CB :: 40.3350 CG :: 26.6700 CD1 :: 24.5000 CD2 :: 25.6000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.3040 HA :: 4.6620 HB2 :: 1.1370 HB3 :: 1.8170 HG :: 1.4200 HD11 :: 0.6010 HD12 :: 0.6010 HD13 :: 0.6010 HD21 :: 0.6480 HD22 :: 0.6480 HD23 :: 0.6480 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 :: 127.5510 Ave N Shift Values>> N :: 121.86(3.9) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.34 L 0.11 F 0.06 Y 0.05 C Shift Assignments>> C :: 173.6650 CA :: 52.5640 CB :: 40.0910 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 :: 8.7310 HA :: 5.0420 HB2 :: 2.5220 HB3 :: 2.6740 HD21 :: 7.6220 HD22 :: 6.7980 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 :: 123.3120 ND2 :: 112.4000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.3470 CA :: 61.7130 CB :: 37.4470 CG1 :: 28.0200 CG2 :: 18.3900 CD1 :: 13.5000 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 :: 8.4960 HA :: 4.2930 HB :: 1.6890 HG12 :: 0.8110 HG13 :: 1.5750 HG21 :: 0.9380 HG22 :: 0.9380 HG23 :: 0.9380 HD11 :: 0.8090 HD12 :: 0.8090 HD13 :: 0.8090 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.2570 Ave N Shift Values>> N :: 121.46(4.28) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.17 G 0.01 C Shift Assignments>> C :: 174.1660 CA :: 57.5130 CB :: 33.4370 CG :: 24.9200 CD :: 29.3200 CE :: 42.1200 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 :: 8.4670 HA :: 3.9740 HB2 :: 1.7870 HB3 :: 1.8800 HG2 :: 1.5630 HG3 :: 1.5630 HD2 :: 1.7130 HD3 :: 1.7130 HE2 :: 3.0070 HE3 :: 3.0070 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 :: 131.8490 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.12 G 0.01 HN Overlap>> 1.M89 1.E163 1.M89 1.E163 C Shift Assignments>> C :: 176.8230 CA :: 56.6080 CB :: 33.2540 CG :: 24.5400 CD :: 29.3800 CE :: 42.0500 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 :: 7.7280 HA :: 4.3830 HB2 :: 1.6570 HB3 :: 1.7840 HG2 :: 1.3610 HG3 :: 1.2000 HD2 :: 1.6080 HD3 :: 1.6080 HE2 :: 2.9540 HE3 :: 2.9540 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 :: 119.6800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A21 1.A161 1.A21 1.A161 C Shift Assignments>> C :: 175.2980 CA :: 60.0370 CB :: 34.6570 CG1 :: 21.4000 CG2 :: 22.3000 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 :: 8.2320 HA :: 4.4630 HB :: 2.0160 HG11 :: 0.9230 HG12 :: 0.9230 HG13 :: 0.9230 HG21 :: 0.9710 HG22 :: 0.9710 HG23 :: 0.9710 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 :: 121.6850 Ave N Shift Values>> N :: 121.14(4.54) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 K 0.13 I 0.13 Q 0.08 M 0.05 C Shift Assignments>> C :: 176.4900 CA :: 58.0700 CB :: 29.6340 CG :: 36.2300 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 :: 8.5620 HA :: 4.0180 HB2 :: 1.9300 HB3 :: 1.9300 HG2 :: 2.2950 HG3 :: 2.2950 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 :: 125.4280 Ave N Shift Values>> N :: 120.67(3.48) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 E 0.19 Y 0.13 M 0.09 F 0.09 D 0.04 K 0.02 I 0.01 L 0.01 HN Overlap>> 1.K63 1.K63 C Shift Assignments>> C :: 173.8560 CA :: 54.5310 CB :: 37.0630 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 :: 8.6000 HA :: 4.3500 HB2 :: 2.9780 HB3 :: 2.9780 HD21 :: 7.4280 HD22 :: 6.8060 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 :: 113.8850 ND2 :: 113.1500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 177.1250 CA :: 52.2270 CB :: 19.4410 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4280 HA :: 4.2370 HB1 :: 0.9550 HB2 :: 0.9550 HB3 :: 0.9550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.2460 Ave N Shift Values>> N :: 123.23(3.54) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.26 D 0.15 K 0.11 F 0.06 Y 0.04 G 0.02 N 0.01 C Shift Assignments>> C :: 174.9990 CA :: 55.1030 CB :: 42.9280 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.0740 HA :: 4.8030 HB2 :: 2.5650 HB3 :: 2.7980 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.3980 Ave N Shift Values>> N :: 120.65(3.86) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 A 0.34 K 0.05 C Shift Assignments>> C :: 175.0010 CA :: 50.7390 CB :: 23.1620 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6040 HA :: 5.3060 HB1 :: 1.2290 HB2 :: 1.2290 HB3 :: 1.2290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.0890 Ave N Shift Values>> N :: 123.23(3.54) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.86 G 0.13 C Shift Assignments>> C :: 174.1400 CA :: 57.4720 CB :: 43.1590 CD1 :: 133.1000 CD2 :: 133.1000 CE1 :: 117.8000 CE2 :: 117.8000 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 :: 9.0940 HA :: 5.4310 HB2 :: 2.7470 HB3 :: 2.8610 HD1 :: 7.0150 HD2 :: 7.0150 HE1 :: 6.9830 HE2 :: 6.9830 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 :: 118.5820 Ave N Shift Values>> N :: 120.52(4.2) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 G 0.03 C Shift Assignments>> C :: 174.6250 CA :: 59.7110 CB :: 42.2150 CG1 :: 28.4600 CG2 :: 18.0300 CD1 :: 14.4500 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 :: 8.8490 HA :: 5.3690 HB :: 1.5540 HG12 :: 1.4170 HG13 :: 1.1540 HG21 :: 0.8660 HG22 :: 0.8660 HG23 :: 0.8660 HD11 :: 0.7520 HD12 :: 0.7520 HD13 :: 0.7520 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 :: 120.7260 Ave N Shift Values>> N :: 121.46(4.28) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 Q 0.15 E 0.05 C Shift Assignments>> C :: 174.5650 CA :: 53.0610 CB :: 32.4970 CG :: 34.2900 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 :: 8.7140 HA :: 5.0690 HB2 :: 1.8890 HB3 :: 2.1900 HG2 :: 2.0200 HG3 :: 1.7340 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 :: 125.1060 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 E 0.18 Q 0.14 C Shift Assignments>> C :: 175.9260 CA :: 54.4120 CB :: 32.4430 CG :: 34.9800 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 :: 9.0950 HA :: 5.6330 HB2 :: 2.0000 HB3 :: 2.0900 HG2 :: 2.2140 HG3 :: 2.2140 HE21 :: 7.8230 HE22 :: 6.8050 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 :: 127.6900 NE2 :: 112.1300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 L 0.45 G 0.05 K 0.01 C Shift Assignments>> C :: 172.4440 CA :: 54.4160 CB :: 42.4620 CG :: 25.8000 CD1 :: 27.2200 CD2 :: 27.0400 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 :: 9.4870 HA :: 5.2360 HB2 :: 1.4480 HB3 :: 1.6140 HG :: 1.6260 HD11 :: 0.6820 HD12 :: 0.6820 HD13 :: 0.6820 HD21 :: 0.7770 HD22 :: 0.7770 HD23 :: 0.7770 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 :: 125.6440 Ave N Shift Values>> N :: 121.86(3.9) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.4690 CA :: 63.1200 CB :: 31.5080 CG :: 28.6000 CD :: 50.5900 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 :: 4.8150 HB2 :: 2.1890 HB3 :: 2.9160 HG2 :: 2.2230 HG3 :: 1.9650 HD2 :: 3.2620 HD3 :: 4.2010 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.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 178.4330 CA :: 55.0310 CB :: 18.9920 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4470 HA :: 3.7870 HB1 :: 1.1120 HB2 :: 1.1120 HB3 :: 1.1120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.8510 Ave N Shift Values>> N :: 123.23(3.54) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.31 HN Overlap>> 1.N52 1.N52 C Shift Assignments>> C :: 176.9150 CA :: 58.0860 CB :: 30.5870 CG :: 22.9800 CD :: 29.0000 CE :: 41.5400 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 :: 8.6560 HA :: 3.9860 HB2 :: 1.7250 HB3 :: 1.7250 HG2 :: 1.1720 HG3 :: 0.6570 HD2 :: 1.4780 HD3 :: 1.4780 HE2 :: 2.7480 HE3 :: 2.7480 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.8940 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.48 C Shift Assignments>> C :: 176.7880 CA :: 60.8760 CB :: 39.5510 CD1 :: 132.0200 CD2 :: 132.0200 CE1 :: 130.8500 CE2 :: 130.8500 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 :: 7.3040 HA :: 4.2720 HB2 :: 2.8310 HB3 :: 3.2830 HD1 :: 7.4900 HD2 :: 7.4900 HE1 :: 7.2080 HE2 :: 7.2080 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 :: 115.5410 Ave N Shift Values>> N :: 120.45(4.18) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 R 0.35 G 0.09 A 0.04 C Shift Assignments>> C :: 175.1300 CA :: 54.0090 CB :: 43.0260 CG :: 27.3400 CD1 :: 23.6000 CD2 :: 27.1700 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 :: 8.2460 HA :: 5.2250 HB2 :: 1.6100 HB3 :: 1.8740 HG :: 1.4550 HD11 :: 0.9040 HD12 :: 0.9040 HD13 :: 0.9040 HD21 :: 1.0380 HD22 :: 1.0380 HD23 :: 1.0380 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 :: 116.6750 Ave N Shift Values>> N :: 121.86(3.9) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.6650 CA :: 59.9130 CB :: 38.5470 CG1 :: 27.0500 CG2 :: 17.4500 CD1 :: 13.9000 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 :: 6.6460 HA :: 4.4870 HB :: 1.9480 HG12 :: 1.2000 HG13 :: 1.2000 HG21 :: 0.7570 HG22 :: 0.7570 HG23 :: 0.7570 HD11 :: 0.7570 HD12 :: 0.7570 HD13 :: 0.7570 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 :: 112.4450 Ave N Shift Values>> N :: 121.46(4.28) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.27 G 0.02 L 0.01 HN Overlap>> 1.D32 1.D32 C Shift Assignments>> C :: 175.7460 CA :: 54.4920 CB :: 30.5740 CG :: 24.8900 CD :: 27.2700 CE :: 42.4900 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 :: 7.9580 HA :: 4.2670 HB2 :: 1.6050 HB3 :: 2.0810 HG2 :: 1.4610 HG3 :: 1.4610 HD2 :: 1.6910 HD3 :: 1.6910 HE2 :: 3.0550 HE3 :: 3.0550 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 :: 119.8180 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4610 CA :: 60.5230 CB :: 63.5540 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2640 HA :: 4.1880 HB2 :: 3.8700 HB3 :: 3.8700 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 :: 111.9440 Ave N Shift Values>> N :: 116.28(3.52) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.26 R 0.13 D 0.11 F 0.01 HN Overlap>> 1.L121 1.L121 C Shift Assignments>> C :: 175.6610 CA :: 52.1020 CB :: 43.9580 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 :: 7.8950 HA :: 4.8040 HB2 :: 2.5430 HB3 :: 2.5430 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 :: 119.1760 Ave N Shift Values>> N :: 120.65(3.86) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.27 C Shift Assignments>> C :: 176.5050 CA :: 50.9630 CB :: 16.0530 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6900 HA :: 4.2200 HB1 :: 1.3070 HB2 :: 1.3070 HB3 :: 1.3070 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.5020 Ave N Shift Values>> N :: 123.23(3.54) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.24 Q 0.05 I 0.04 K 0.02 HN Overlap>> 1.Y210 1.Y210 C Shift Assignments>> C :: 174.8460 CA :: 58.4360 CB :: 31.3340 CG :: 36.2600 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 :: 7.8460 HA :: 3.9510 HB2 :: 1.8110 HB3 :: 2.0370 HG2 :: 2.1590 HG3 :: 2.1590 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 :: 122.6220 Ave N Shift Values>> N :: 120.67(3.48) 1.Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.5790 CA :: 55.4780 CB :: 39.4720 CD1 :: 134.0000 CD2 :: 134.0000 CE1 :: 118.7000 CE2 :: 118.7000 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 :: 6.8820 HA :: 4.9190 HB2 :: 2.8940 HB3 :: 3.1550 HD1 :: 6.7030 HD2 :: 6.7030 HE1 :: 6.7560 HE2 :: 6.7560 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 :: 108.7740 Ave N Shift Values>> N :: 120.52(4.2) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.39 G 0.02 C Shift Assignments>> C :: 174.2730 CA :: 54.8950 CB :: 37.0090 CG :: 24.9500 CD :: 29.4600 CE :: 42.0000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5350 HA :: 5.1520 HB2 :: 1.5120 HB3 :: 1.5120 HG2 :: 1.4170 HG3 :: 1.2070 HD2 :: 1.5660 HD3 :: 1.5170 HE2 :: 2.8060 HE3 :: 2.8060 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 :: 117.4610 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.36 R 0.12 C Shift Assignments>> C :: 174.6790 CA :: 52.7030 CB :: 43.9980 CG :: 27.4000 CD1 :: 24.9000 CD2 :: 26.4000 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 :: 9.0020 HA :: 5.2770 HB2 :: 1.1130 HB3 :: 1.5500 HG :: 1.5880 HD11 :: 0.7480 HD12 :: 0.7480 HD13 :: 0.7480 HD21 :: 0.7610 HD22 :: 0.7610 HD23 :: 0.7610 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 :: 119.3370 Ave N Shift Values>> N :: 121.86(3.9) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 G 0.36 K 0.16 C Shift Assignments>> C :: 173.3940 CA :: 54.2810 CB :: 33.9900 CG :: 27.9000 CD :: 43.7000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.2180 HA :: 5.0210 HB2 :: 1.5210 HB3 :: 1.6290 HG2 :: 1.1820 HG3 :: 1.2550 HD2 :: 3.1060 HD3 :: 3.1060 HE :: 7.3180 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.9210 NE :: 83.4200 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.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.3300 CA :: 61.0410 CB :: 38.4660 CG1 :: 28.8400 CG2 :: 17.4200 CD1 :: 14.3400 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 :: 9.4010 HA :: 4.5430 HB :: 1.7310 HG12 :: 0.7810 HG13 :: 1.3060 HG21 :: 0.7330 HG22 :: 0.7330 HG23 :: 0.7330 HD11 :: 0.3050 HD12 :: 0.3050 HD13 :: 0.3050 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.1620 Ave N Shift Values>> N :: 121.46(4.28) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 L 0.13 HN Overlap>> 1.L203 1.L203 C Shift Assignments>> C :: 174.3390 CA :: 51.6180 CB :: 21.3670 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0270 HA :: 4.7530 HB1 :: 1.2670 HB2 :: 1.2670 HB3 :: 1.2670 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.4190 Ave N Shift Values>> N :: 123.23(3.54) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 A 0.05 C Shift Assignments>> C :: 176.0310 CA :: 59.1230 CB :: 73.8090 CG2 :: 21.8500 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.4990 HA :: 4.7860 HB :: 3.4610 HG21 :: 0.9810 HG22 :: 0.9810 HG23 :: 0.9810 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 :: 111.2750 Ave N Shift Values>> N :: 115.42(4.75) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 Q 0.28 K 0.25 M 0.05 I 0.04 R 0.01 C Shift Assignments>> C :: 176.0760 CA :: 57.9600 CB :: 29.4210 CG :: 35.0200 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 :: 8.5980 HA :: 4.0370 HB2 :: 1.9380 HB3 :: 2.1540 HG2 :: 2.2050 HG3 :: 2.3390 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.1190 Ave N Shift Values>> N :: 120.67(3.48) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 M 0.33 K 0.18 E 0.07 C Shift Assignments>> C :: 174.7670 CA :: 54.7040 CB :: 30.5350 CG :: 33.7200 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 :: 7.2730 HA :: 4.5330 HB2 :: 1.6980 HB3 :: 2.3810 HG2 :: 2.3740 HG3 :: 2.3740 HE21 :: 7.1420 HE22 :: 6.3950 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 :: 112.9120 NE2 :: 107.6700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 171.3360 CA :: 45.4800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.9370 HA2 :: 4.0410 HA3 :: 4.1400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.9250 Ave N Shift Values>> N :: 109.67(3.87) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 HN Overlap>> 1.I83 1.I83 C Shift Assignments>> C :: 174.6150 CA :: 59.6750 CB :: 41.4000 CG1 :: 28.4600 CG2 :: 18.5000 CD1 :: 14.4800 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 :: 8.9520 HA :: 5.2750 HB :: 1.6240 HG12 :: 1.0490 HG13 :: 1.5160 HG21 :: 0.7250 HG22 :: 0.7250 HG23 :: 0.7250 HD11 :: 0.7980 HD12 :: 0.7980 HD13 :: 0.7980 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 :: 123.9710 Ave N Shift Values>> N :: 121.46(4.28) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I82 1.I82 C Shift Assignments>> C :: 172.9360 CA :: 59.2700 CB :: 41.0200 CG1 :: 27.5000 CG2 :: 16.5000 CD1 :: 14.0200 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 :: 8.9870 HA :: 4.8620 HB :: 1.3590 HG12 :: 0.7120 HG13 :: 1.3180 HG21 :: 0.5260 HG22 :: 0.5260 HG23 :: 0.5260 HD11 :: 0.5070 HD12 :: 0.5070 HD13 :: 0.5070 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 :: 124.0670 Ave N Shift Values>> N :: 121.46(4.28) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 E 0.42 C Shift Assignments>> C :: 175.5840 CA :: 54.9590 CB :: 32.9360 CG :: 37.4900 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.2310 HA :: 5.3220 HB2 :: 1.7450 HB3 :: 1.9650 HG2 :: 1.7490 HG3 :: 1.8820 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 :: 128.8300 Ave N Shift Values>> N :: 120.67(3.48) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 V 0.42 C Shift Assignments>> C :: 172.7150 CA :: 56.4170 CB :: 32.9620 CG1 :: 22.4800 CG2 :: 19.5600 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 :: 9.2020 HA :: 4.9810 HB :: 2.0860 HG11 :: 0.5310 HG12 :: 0.5310 HG13 :: 0.5310 HG21 :: 0.6670 HG22 :: 0.6670 HG23 :: 0.6670 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 :: 120.3820 Ave N Shift Values>> N :: 121.14(4.54) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.2790 CA :: 61.4630 CB :: 33.1030 CG :: 27.5000 CD :: 50.1900 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.0690 HB2 :: 2.3330 HB3 :: 2.2860 HG2 :: 1.8230 HG3 :: 2.3060 HD2 :: 3.4130 HD3 :: 4.0230 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.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.34 C Shift Assignments>> C :: 173.3800 CA :: 53.7110 CB :: 18.0930 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4380 HA :: 3.9910 HB1 :: 0.6590 HB2 :: 0.6590 HB3 :: 0.6590 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.7490 Ave N Shift Values>> N :: 123.23(3.54) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.79 D 0.08 Y 0.03 F 0.03 M 0.01 L 0.01 C Shift Assignments>> C :: 178.0960 CA :: 51.4820 CB :: 37.9330 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 :: 7.7580 HA :: 4.9810 HB2 :: 1.9200 HB3 :: 3.0870 HD21 :: 7.3270 HD22 :: 6.4970 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 :: 108.4080 ND2 :: 109.0300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 Q 0.31 E 0.16 K 0.08 I 0.06 HN Overlap>> 1.K49 1.K49 C Shift Assignments>> C :: 178.3560 CA :: 61.4740 CB :: 33.8760 CG :: 31.3300 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.7670 HA :: 3.6540 HB2 :: 1.7430 HB3 :: 2.5270 HG2 :: 2.1800 HG3 :: 2.0300 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 :: 119.7060 Ave N Shift Values>> N :: 120.09(3.57) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 A 0.45 C Shift Assignments>> C :: 174.7780 CA :: 54.2100 CB :: 40.0520 CG :: 26.4000 CD1 :: 21.9600 CD2 :: 25.9000 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 :: 9.0580 HA :: 4.5990 HB2 :: 1.6120 HB3 :: 1.8790 HG :: 1.6280 HD11 :: 0.7050 HD12 :: 0.7050 HD13 :: 0.7050 HD21 :: 0.7590 HD22 :: 0.7590 HD23 :: 0.7590 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 :: 114.2360 Ave N Shift Values>> N :: 121.86(3.9) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.06 Y 0.06 F 0.05 E 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 174.1440 CA :: 52.5300 CB :: 37.5030 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 :: 7.4370 HA :: 4.7220 HB2 :: 2.2970 HB3 :: 3.1430 HD21 :: 6.9850 HD22 :: 6.8650 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.3580 ND2 :: 110.8400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.K35 1.K35 C Shift Assignments>> C :: 175.0660 CA :: 59.4560 CB :: 70.9230 CG2 :: 21.7400 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 :: 8.0680 HA :: 4.7040 HB :: 4.5040 HG21 :: 1.3250 HG22 :: 1.3250 HG23 :: 1.3250 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.9240 Ave N Shift Values>> N :: 115.42(4.75) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.51 A 0.42 I 0.04 C Shift Assignments>> C :: 179.3170 CA :: 55.4210 CB :: 18.5900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.1750 HB1 :: 1.5090 HB2 :: 1.5090 HB3 :: 1.5090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 D 0.19 L 0.18 K 0.08 N 0.04 I 0.03 C Shift Assignments>> C :: 177.6220 CA :: 56.5150 CB :: 40.5840 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 :: 8.4930 HA :: 4.4900 HB2 :: 2.6150 HB3 :: 2.7550 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.6460 Ave N Shift Values>> N :: 120.65(3.86) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.0310 CA :: 62.4980 CB :: 37.4380 CG1 :: 28.7800 CG2 :: 18.9500 CD1 :: 13.0500 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 :: 7.6170 HA :: 4.1720 HB :: 2.2380 HG12 :: 1.2990 HG13 :: 1.6660 HG21 :: 1.0610 HG22 :: 1.0610 HG23 :: 1.0610 HD11 :: 1.0500 HD12 :: 1.0500 HD13 :: 1.0500 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.8530 Ave N Shift Values>> N :: 121.46(4.28) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.2200 CA :: 62.5930 CB :: 62.6000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6770 HA :: 4.0850 HB2 :: 4.0350 HB3 :: 4.0350 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.8490 Ave N Shift Values>> N :: 116.28(3.52) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 G 0.01 C Shift Assignments>> C :: 176.7730 CA :: 57.6880 CB :: 32.4350 CG :: 24.5000 CD :: 29.2000 CE :: 42.2000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.1560 HA :: 4.2680 HB2 :: 1.9130 HB3 :: 1.9130 HG2 :: 1.4840 HG3 :: 1.4840 HD2 :: 1.7260 HD3 :: 1.7260 HE2 :: 3.0220 HE3 :: 3.0220 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 :: 117.0830 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 G 0.14 R 0.05 A 0.04 C Shift Assignments>> C :: 177.0610 CA :: 55.3860 CB :: 43.4650 CG :: 26.4600 CD1 :: 22.9800 CD2 :: 25.0700 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 :: 7.8580 HA :: 4.3450 HB2 :: 1.6500 HB3 :: 1.9270 HG :: 1.7840 HD11 :: 0.8880 HD12 :: 0.8880 HD13 :: 0.8880 HD21 :: 0.9800 HD22 :: 0.9800 HD23 :: 0.9800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.1670 Ave N Shift Values>> N :: 121.86(3.9) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.9830 CA :: 63.5200 CB :: 32.3430 CG1 :: 21.4500 CG2 :: 22.4600 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 :: 7.2330 HA :: 3.7920 HB :: 2.0720 HG11 :: 0.8710 HG12 :: 0.8710 HG13 :: 0.8710 HG21 :: 0.8020 HG22 :: 0.8020 HG23 :: 0.8020 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 :: 117.3680 Ave N Shift Values>> N :: 121.14(4.54) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.1 G 0.02 A 0.01 C Shift Assignments>> C :: 178.2820 CA :: 54.1830 CB :: 33.9890 CG :: 24.5100 CD :: 28.9600 CE :: 42.2000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.1710 HA :: 4.6780 HB2 :: 1.9320 HB3 :: 2.0440 HG2 :: 1.4630 HG3 :: 1.4630 HD2 :: 1.7220 HD3 :: 1.7220 HE2 :: 3.0000 HE3 :: 3.0000 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 :: 126.6240 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.28 I 0.08 N 0.08 D 0.07 E 0.06 L 0.04 M 0.02 C Shift Assignments>> C :: 175.7670 CA :: 56.8800 CB :: 38.3910 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 :: 8.7050 HA :: 4.3210 HB2 :: 2.7870 HB3 :: 2.7870 HD21 :: 7.5720 HD22 :: 6.9390 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 :: 118.8160 ND2 :: 113.1700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.32 L 0.1 F 0.06 Y 0.05 C Shift Assignments>> C :: 176.8250 CA :: 52.5050 CB :: 39.9720 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 :: 8.2170 HA :: 4.7950 HB2 :: 2.6130 HB3 :: 2.9240 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.5900 Ave N Shift Values>> N :: 120.65(3.86) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 175.1940 CA :: 61.9090 CB :: 64.8340 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6110 HA :: 5.1330 HB2 :: 3.8870 HB3 :: 3.8870 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.5680 Ave N Shift Values>> N :: 116.28(3.52) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.2460 CA :: 60.9050 CB :: 35.3060 CG1 :: 19.6500 CG2 :: 21.4500 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 :: 9.3070 HA :: 4.6890 HB :: 1.9660 HG11 :: 0.9630 HG12 :: 0.9630 HG13 :: 0.9630 HG21 :: 0.8910 HG22 :: 0.8910 HG23 :: 0.8910 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 :: 121.7820 Ave N Shift Values>> N :: 121.14(4.54) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 A 0.04 C Shift Assignments>> C :: 172.7370 CA :: 58.5190 CB :: 34.9840 CG1 :: 22.5000 CG2 :: 20.7000 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 :: 9.0460 HA :: 5.1810 HB :: 1.6100 HG11 :: 0.6080 HG12 :: 0.6080 HG13 :: 0.6080 HG21 :: 0.6510 HG22 :: 0.6510 HG23 :: 0.6510 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.7070 Ave N Shift Values>> N :: 121.14(4.54) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 E 0.31 HN Overlap>> 1.L173 1.L173 C Shift Assignments>> C :: 175.0610 CA :: 53.4770 CB :: 33.0550 CG :: 37.4700 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 :: 9.2530 HA :: 5.4800 HB2 :: 1.6240 HB3 :: 1.7430 HG2 :: 2.0650 HG3 :: 1.8820 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.3850 Ave N Shift Values>> N :: 120.67(3.48) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.S183 1.S183 C Shift Assignments>> C :: 174.4710 CA :: 56.9530 CB :: 41.4160 CD1 :: 131.0900 CD2 :: 131.0900 CE1 :: 130.2800 CE2 :: 130.2800 CZ :: 128.8400 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 :: 8.5870 HA :: 5.0190 HB2 :: 2.6530 HB3 :: 2.7500 HD1 :: 6.8690 HD2 :: 6.8690 HE1 :: 6.7520 HE2 :: 6.7520 HZ :: 7.0100 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.0830 Ave N Shift Values>> N :: 120.45(4.18) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.3080 CA :: 61.4770 CB :: 32.9530 CG1 :: 20.5000 CG2 :: 19.9500 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 :: 8.7820 HA :: 4.6460 HB :: 2.0880 HG11 :: 0.8040 HG12 :: 0.8040 HG13 :: 0.8040 HG21 :: 0.7840 HG22 :: 0.7840 HG23 :: 0.7840 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.5070 Ave N Shift Values>> N :: 121.14(4.54) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.9040 CA :: 60.9900 CB :: 40.1850 CG1 :: 28.0200 CG2 :: 17.9900 CD1 :: 13.9400 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 :: 9.2080 HA :: 4.8850 HB :: 1.9360 HG12 :: 0.9680 HG13 :: 1.5940 HG21 :: 0.8460 HG22 :: 0.8460 HG23 :: 0.8460 HD11 :: 0.7060 HD12 :: 0.7060 HD13 :: 0.7060 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 :: 127.8860 Ave N Shift Values>> N :: 121.46(4.28) 1.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 G 0.37 K 0.24 HN Overlap>> 1.V5 1.V5 C Shift Assignments>> C :: 175.2450 CA :: 54.4680 CB :: 34.9700 CG :: 27.6000 CD :: 43.4200 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.1350 HA :: 5.1660 HB2 :: 1.6880 HB3 :: 1.8670 HG2 :: 1.5670 HG3 :: 1.6720 HD2 :: 3.1920 HD3 :: 3.1920 HE :: 7.3020 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.2150 NE :: 83.3600 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.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 G 0.01 C Shift Assignments>> C :: 175.6720 CA :: 57.4810 CB :: 33.3340 CG :: 24.9000 CD :: 29.5000 CE :: 42.1100 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 :: 8.2840 HA :: 4.4950 HB2 :: 1.9240 HB3 :: 1.8710 HG2 :: 1.6490 HG3 :: 1.4100 HD2 :: 1.8220 HD3 :: 1.8220 HE2 :: 3.1080 HE3 :: 3.1080 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 :: 125.0230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.1110 CA :: 61.3950 CB :: 33.0220 CG1 :: 20.7800 CG2 :: 22.6600 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 :: 7.9490 HA :: 4.1040 HB :: 1.7070 HG11 :: 0.7580 HG12 :: 0.7580 HG13 :: 0.7580 HG21 :: 0.8370 HG22 :: 0.8370 HG23 :: 0.8370 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 :: 127.5170 Ave N Shift Values>> N :: 121.14(4.54) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.24 G 0.01 C Shift Assignments>> C :: 178.0130 CA :: 55.9620 CB :: 32.5190 CG :: 25.4000 CD :: 29.1100 CE :: 42.1000 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 :: 8.5160 HA :: 4.4150 HB2 :: 1.8170 HB3 :: 1.9810 HG2 :: 1.5940 HG3 :: 1.4710 HD2 :: 1.7300 HD3 :: 1.7300 HE2 :: 3.0400 HE3 :: 3.0400 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.2230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.A34 1.A34 C Shift Assignments>> C :: 176.7060 CA :: 65.3310 CB :: 31.5610 CG1 :: 21.0000 CG2 :: 21.5000 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 :: 8.5000 HA :: 3.7160 HB :: 2.2450 HG11 :: 1.0720 HG12 :: 1.0720 HG13 :: 1.0720 HG21 :: 1.0970 HG22 :: 1.0970 HG23 :: 1.0970 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.1740 Ave N Shift Values>> N :: 121.14(4.54) 1.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 D 0.21 Y 0.2 L 0.18 K 0.07 N 0.05 I 0.02 HN Overlap>> 1.K162 1.K162 C Shift Assignments>> C :: 177.3970 CA :: 56.3820 CB :: 40.5250 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 :: 8.0450 HA :: 4.3190 HB2 :: 2.4800 HB3 :: 2.6910 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.6930 Ave N Shift Values>> N :: 120.65(3.86) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.7 I 0.15 M 0.07 K 0.04 Q 0.01 HN Overlap>> 1.K150 1.K150 C Shift Assignments>> C :: 177.0600 CA :: 57.0440 CB :: 29.9800 CG :: 37.4400 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.8290 HA :: 4.2110 HB2 :: 2.0420 HB3 :: 2.1510 HG2 :: 2.2590 HG3 :: 2.2590 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 :: 116.4240 Ave N Shift Values>> N :: 120.67(3.48) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 A 0.25 R 0.19 G 0.08 HN Overlap>> 1.I22 1.I22 C Shift Assignments>> C :: 177.0640 CA :: 54.4150 CB :: 42.9190 CG :: 26.5200 CD1 :: 22.0500 CD2 :: 26.5200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6480 HA :: 4.3280 HB2 :: 1.4960 HB3 :: 1.9590 HG :: 1.6950 HD11 :: 0.7080 HD12 :: 0.7080 HD13 :: 0.7080 HD21 :: 0.8110 HD22 :: 0.8110 HD23 :: 0.8110 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.1750 Ave N Shift Values>> N :: 121.86(3.9) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.23 R 0.11 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.0570 CA :: 44.5700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7510 HA2 :: 3.9750 HA3 :: 4.1650 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.2120 Ave N Shift Values>> N :: 109.67(3.87) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.37 I 0.06 V 0.02 L 0.01 HN Overlap>> 1.V171 1.V171 C Shift Assignments>> C :: 179.9130 CA :: 55.9770 CB :: 18.9420 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3540 HA :: 3.9290 HB1 :: 1.4690 HB2 :: 1.4690 HB3 :: 1.4690 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2080 Ave N Shift Values>> N :: 123.23(3.54) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.36 K 0.09 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.0800 CA :: 59.4400 CB :: 28.9920 CG :: 36.4900 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.6890 HA :: 4.1150 HB2 :: 1.9980 HB3 :: 2.0920 HG2 :: 2.3460 HG3 :: 2.2100 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.3700 Ave N Shift Values>> N :: 120.67(3.48) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.15 G 0.01 HN Overlap>> 1.D69 1.D69 C Shift Assignments>> C :: 178.8320 CA :: 56.9090 CB :: 41.8740 CG :: 27.1600 CD1 :: 23.5000 CD2 :: 26.0100 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 :: 7.8950 HA :: 4.1030 HB2 :: 1.2960 HB3 :: 1.8000 HG :: 1.7380 HD11 :: 0.7550 HD12 :: 0.7550 HD13 :: 0.7550 HD21 :: 0.9060 HD22 :: 0.9060 HD23 :: 0.9060 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 :: 119.1760 Ave N Shift Values>> N :: 121.86(3.9) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.15 G 0.01 C Shift Assignments>> C :: 179.5230 CA :: 60.5550 CB :: 32.0460 CG :: 25.3500 CD :: 29.3000 CE :: 42.0900 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 :: 8.3340 HA :: 3.8450 HB2 :: 1.8480 HB3 :: 1.8480 HG2 :: 1.4510 HG3 :: 1.3590 HD2 :: 1.6510 HD3 :: 1.6510 HE2 :: 2.9470 HE3 :: 2.9470 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 :: 119.8310 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.19 K 0.13 Q 0.07 M 0.03 C Shift Assignments>> C :: 177.9810 CA :: 58.9280 CB :: 29.5100 CG :: 36.1300 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 :: 7.7080 HA :: 4.0790 HB2 :: 2.1250 HB3 :: 2.1250 HG2 :: 2.3680 HG3 :: 2.2840 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.6720 Ave N Shift Values>> N :: 120.67(3.48) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.24 G 0.01 C Shift Assignments>> C :: 177.9000 CA :: 58.3670 CB :: 33.4150 CG :: 25.5000 CD :: 29.3000 CE :: 42.0600 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.3300 HA :: 4.2010 HB2 :: 1.8180 HB3 :: 1.8180 HG2 :: 1.4780 HG3 :: 1.6410 HD2 :: 1.6900 HD3 :: 1.6900 HE2 :: 2.9600 HE3 :: 2.9600 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.6030 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L27 1.L27 C Shift Assignments>> C :: 177.9780 CA :: 63.3850 CB :: 40.3060 CG1 :: 28.6600 CG2 :: 17.5300 CD1 :: 14.7700 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 :: 8.1060 HA :: 4.0050 HB :: 1.5970 HG12 :: 1.4300 HG13 :: 0.8470 HG21 :: 0.8550 HG22 :: 0.8550 HG23 :: 0.8550 HD11 :: 0.5970 HD12 :: 0.5970 HD13 :: 0.5970 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 :: 120.4590 Ave N Shift Values>> N :: 121.46(4.28) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.5190 CA :: 46.9330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2720 HA2 :: 3.7680 HA3 :: 3.9150 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.8630 Ave N Shift Values>> N :: 109.67(3.87) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.11 Y 0.06 F 0.06 L 0.02 M 0.01 E 0.01 HN Overlap>> 1.E8 1.N13 1.E8 1.N13 C Shift Assignments>> C :: 175.1070 CA :: 52.7300 CB :: 38.0880 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 :: 8.7700 HA :: 4.9960 HB2 :: 2.8170 HB3 :: 2.9830 HD21 :: 7.5170 HD22 :: 6.8410 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 :: 124.0900 ND2 :: 111.8400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 R 0.41 K 0.11 C Shift Assignments>> C :: 172.8180 CA :: 55.9350 CB :: 29.2050 CG :: 29.6800 CD :: 43.8300 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 :: 7.5190 HA :: 4.5860 HB2 :: 1.4640 HB3 :: 2.0760 HG2 :: 1.8850 HG3 :: 1.8850 HD2 :: 3.2110 HD3 :: 3.2110 HE :: 7.7020 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.9430 NE :: 86.7000 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.P129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.1420 CA :: 64.6170 CB :: 33.2710 CG :: 27.9900 CD :: 51.0400 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 :: 4.3580 HB2 :: 1.8370 HB3 :: 2.5270 HG2 :: 2.3430 HG3 :: 2.3020 HD2 :: 4.0630 HD3 :: 3.2890 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.V130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.8110 CA :: 60.9360 CB :: 33.4270 CG1 :: 20.2600 CG2 :: 21.8100 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 :: 7.8380 HA :: 5.0430 HB :: 2.2250 HG11 :: 0.8580 HG12 :: 0.8580 HG13 :: 0.8580 HG21 :: 0.9910 HG22 :: 0.9910 HG23 :: 0.9910 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.6960 Ave N Shift Values>> N :: 121.14(4.54) 1.I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 I 0.36 A 0.04 C Shift Assignments>> C :: 173.5190 CA :: 58.9080 CB :: 43.5040 CG1 :: 25.6000 CG2 :: 18.3500 CD1 :: 14.4800 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 :: 9.2140 HA :: 5.5080 HB :: 1.8510 HG12 :: 1.7120 HG13 :: 1.2870 HG21 :: 1.0890 HG22 :: 1.0890 HG23 :: 1.0890 HD11 :: 0.9700 HD12 :: 0.9700 HD13 :: 0.9700 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 :: 121.4860 Ave N Shift Values>> N :: 121.46(4.28) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.24 R 0.08 D 0.06 F 0.01 C Shift Assignments>> C :: 176.0170 CA :: 52.8430 CB :: 44.5040 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.2430 HA :: 5.3970 HB2 :: 2.2040 HB3 :: 2.6840 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.1570 Ave N Shift Values>> N :: 120.65(3.86) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.0650 CA :: 59.8570 CB :: 40.6420 CG1 :: 28.1200 CG2 :: 17.4800 CD1 :: 15.0000 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 :: 8.8950 HA :: 5.6140 HB :: 1.9270 HG12 :: 1.8260 HG13 :: 1.1830 HG21 :: 0.9890 HG22 :: 0.9890 HG23 :: 0.9890 HD11 :: 0.9560 HD12 :: 0.9560 HD13 :: 0.9560 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.2260 Ave N Shift Values>> N :: 121.46(4.28) 1.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.81 T 0.18 C Shift Assignments>> C :: 171.2670 CA :: 57.2190 CB :: 66.6590 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9170 HA :: 5.0530 HB2 :: 3.6740 HB3 :: 3.8220 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 :: 120.8450 Ave N Shift Values>> N :: 116.28(3.52) 1.V135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.5990 CA :: 61.3190 CB :: 33.1970 CG1 :: 20.5100 CG2 :: 21.4400 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 :: 8.8970 HA :: 4.3780 HB :: 1.8720 HG11 :: 0.4070 HG12 :: 0.4070 HG13 :: 0.4070 HG21 :: 0.5770 HG22 :: 0.5770 HG23 :: 0.5770 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 :: 122.1270 Ave N Shift Values>> N :: 121.14(4.54) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.9820 CA :: 60.4990 CB :: 34.4860 CG1 :: 21.1200 CG2 :: 20.5100 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 :: 8.6510 HA :: 4.6200 HB :: 1.9290 HG11 :: 0.5920 HG12 :: 0.5920 HG13 :: 0.5920 HG21 :: 0.6710 HG22 :: 0.6710 HG23 :: 0.6710 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 :: 127.3100 Ave N Shift Values>> N :: 121.14(4.54) 1.V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.6130 CA :: 61.1910 CB :: 33.1060 CG1 :: 21.0000 CG2 :: 21.0000 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 :: 8.8660 HA :: 4.7300 HB :: 1.9530 HG11 :: 0.7910 HG12 :: 0.7910 HG13 :: 0.7910 HG21 :: 0.7610 HG22 :: 0.7610 HG23 :: 0.7610 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 :: 127.1920 Ave N Shift Values>> N :: 121.14(4.54) 1.D138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.25 D 0.19 N 0.12 L 0.11 I 0.03 C Shift Assignments>> C :: 176.2140 CA :: 56.1130 CB :: 39.5350 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.1800 HA :: 4.3750 HB2 :: 2.7190 HB3 :: 2.9390 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.0010 Ave N Shift Values>> N :: 120.65(3.86) 1.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.7300 CA :: 45.4840 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7460 HA2 :: 3.5100 HA3 :: 4.0960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.0640 Ave N Shift Values>> N :: 109.67(3.87) 1.K140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.1 G 0.01 C Shift Assignments>> C :: 174.6330 CA :: 54.4440 CB :: 33.8720 CG :: 24.6200 CD :: 29.0500 CE :: 42.2000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.8800 HA :: 4.5890 HB2 :: 1.8240 HB3 :: 1.8240 HG2 :: 1.4260 HG3 :: 1.4260 HD2 :: 1.7110 HD3 :: 1.7110 HE2 :: 3.0620 HE3 :: 3.0620 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 :: 122.3850 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.25 G 0.01 C Shift Assignments>> C :: 176.4210 CA :: 57.8270 CB :: 32.2270 CG :: 25.2000 CD :: 29.4000 CE :: 42.3000 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 :: 8.5950 HA :: 4.4380 HB2 :: 1.7910 HB3 :: 1.7910 HG2 :: 1.3780 HG3 :: 1.5180 HD2 :: 1.7310 HD3 :: 1.7310 HE2 :: 3.0450 HE3 :: 3.0450 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 :: 127.4100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 HN Overlap>> 1.K4 1.K4 C Shift Assignments>> C :: 174.6950 CA :: 59.4220 CB :: 34.6230 CG1 :: 21.4900 CG2 :: 19.4900 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 :: 8.5750 HA :: 4.6070 HB :: 2.0390 HG11 :: 0.8930 HG12 :: 0.8930 HG13 :: 0.8930 HG21 :: 0.8110 HG22 :: 0.8110 HG23 :: 0.8110 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 :: 122.4880 Ave N Shift Values>> N :: 121.14(4.54) 1.E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 K 0.17 Q 0.1 I 0.05 M 0.03 HN Overlap>> 1.K19 1.K19 C Shift Assignments>> C :: 175.4070 CA :: 55.4580 CB :: 28.9470 CG :: 36.3700 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 :: 8.3680 HA :: 4.6520 HB2 :: 2.0560 HB3 :: 1.9930 HG2 :: 2.3970 HG3 :: 2.2460 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.3140 Ave N Shift Values>> N :: 120.67(3.48) 1.W144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.5490 CA :: 58.8880 CB :: 29.9190 CD1 :: 124.6200 CZ2 :: 115.4800 CH2 :: 125.5000 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.8330 HA :: 4.4370 HB2 :: 2.7620 HB3 :: 3.2940 HD1 :: 6.9220 HE1 :: 10.0150 HZ2 :: 7.3900 HH2 :: 7.4190 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 :: 127.6680 NE1 :: 128.6800 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.0600 CA :: 56.6590 CB :: 64.9460 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.8370 HA :: 4.1680 HB2 :: 3.3910 HB3 :: 3.4770 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 :: 120.5040 Ave N Shift Values>> N :: 116.28(3.52) 1.N146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.27 L 0.07 F 0.06 Y 0.05 HN Overlap>> 1.L193 1.L193 C Shift Assignments>> C :: 175.0160 CA :: 52.5540 CB :: 39.5140 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 :: 6.9710 HA :: 4.5180 HB2 :: 2.5860 HB3 :: 3.3490 HD21 :: 7.2640 HD22 :: 6.6830 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 :: 118.4270 ND2 :: 111.2400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.1310 CA :: 59.9570 CB :: 37.3520 CD1 :: 132.9000 CD2 :: 132.9000 CE1 :: 118.3000 CE2 :: 118.3000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.7180 HA :: 4.3300 HB2 :: 2.9860 HB3 :: 3.1640 HD1 :: 7.1310 HD2 :: 7.1310 HE1 :: 6.8320 HE2 :: 6.8320 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.6510 Ave N Shift Values>> N :: 120.52(4.2) 1.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 C Shift Assignments>> C :: 175.3460 CA :: 55.7760 CB :: 32.9830 CG :: 25.0000 CD :: 28.9700 CE :: 42.1000 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 :: 8.0610 HA :: 4.3610 HB2 :: 1.7100 HB3 :: 1.8980 HG2 :: 1.2520 HG3 :: 1.2520 HD2 :: 1.7090 HD3 :: 1.7090 HE2 :: 3.0290 HE3 :: 3.0290 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 :: 117.6260 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 L 0.37 K 0.01 C Shift Assignments>> C :: 173.4500 CA :: 50.9300 CB :: 22.4400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1830 HA :: 4.7320 HB1 :: 1.2390 HB2 :: 1.2390 HB3 :: 1.2390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.9270 Ave N Shift Values>> N :: 123.23(3.54) 1.K150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.21 G 0.01 HN Overlap>> 1.E116 1.E116 C Shift Assignments>> C :: 176.0200 CA :: 55.8280 CB :: 35.0460 CG :: 25.0800 CD :: 29.4800 CE :: 41.9900 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 :: 7.8290 HA :: 4.7710 HB2 :: 1.6340 HB3 :: 1.6340 HG2 :: 1.2860 HG3 :: 1.3420 HD2 :: 1.5500 HD3 :: 1.5500 HE2 :: 2.9200 HE3 :: 2.9200 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.4240 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.8600 CA :: 60.3920 CB :: 33.8280 CG1 :: 21.4000 CG2 :: 21.9600 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5890 HA :: 4.5730 HB :: 1.9020 HG11 :: 0.6910 HG12 :: 0.6910 HG13 :: 0.6910 HG21 :: 0.6520 HG22 :: 0.6520 HG23 :: 0.6520 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 :: 117.0990 Ave N Shift Values>> N :: 121.14(4.54) 1.K152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 G 0.01 C Shift Assignments>> C :: 174.8030 CA :: 54.8700 CB :: 35.5380 CG :: 24.9300 CD :: 29.5000 CE :: 42.0000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9670 HA :: 4.9120 HB2 :: 1.5890 HB3 :: 1.5890 HG2 :: 1.1780 HG3 :: 1.0550 HD2 :: 1.4450 HD3 :: 1.4450 HE2 :: 2.7160 HE3 :: 2.7160 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.5930 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I153 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 173.9450 CA :: 59.0120 CB :: 38.7970 CG1 :: 28.4600 CG2 :: 17.9300 CD1 :: 14.4500 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 :: 8.6150 HA :: 4.7300 HB :: -0.0260(S) HG12 :: 0.5940 HG13 :: 0.9930 HG21 :: 0.4620 HG22 :: 0.4620 HG23 :: 0.4620 HD11 :: 0.4710 HD12 :: 0.4710 HD13 :: 0.4710 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 :: 129.5180 Ave N Shift Values>> N :: 121.46(4.28) 1.S154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F198 1.F198 C Shift Assignments>> C :: 172.7780 CA :: 56.4770 CB :: 65.1240 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8780 HA :: 5.5790 HB2 :: 3.3960 HB3 :: 3.5260 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.2230 Ave N Shift Values>> N :: 116.28(3.52) 1.I155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 A 0.02 G 0.01 C Shift Assignments>> C :: 174.1100 CA :: 58.4560 CB :: 41.6890 CG1 :: 27.3000 CG2 :: 16.5400 CD1 :: 13.5200 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 :: 9.5540 HA :: 4.5990 HB :: 1.7520 HG12 :: 1.6750 HG13 :: 1.0080 HG21 :: 1.0000 HG22 :: 1.0000 HG23 :: 1.0000 HD11 :: 0.8450 HD12 :: 0.8450 HD13 :: 0.8450 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.4220 Ave N Shift Values>> N :: 121.46(4.28) 1.P156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.6690 CA :: 63.4810 CB :: 31.9460 CG :: 27.4900 CD :: 51.5900 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 :: 4.7250 HB2 :: 2.0830 HB3 :: 2.3720 HG2 :: 2.1640 HG3 :: 1.7950 HD2 :: 3.6760 HD3 :: 3.5690 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.Y157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> C :: 172.1900 CA :: 58.0550 CB :: 41.9920 CD1 :: 132.0000 CD2 :: 132.0000 CE1 :: 117.9000 CE2 :: 117.9000 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 :: 8.2690 HA :: 4.8200 HB2 :: 2.5150 HB3 :: 3.2480 HD1 :: 6.8060 HD2 :: 6.8060 HE1 :: 6.6370 HE2 :: 6.6370 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.1550 Ave N Shift Values>> N :: 120.52(4.2) 1.K158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.12 G 0.02 A 0.02 C Shift Assignments>> C :: 172.2520 CA :: 51.9960 CB :: 32.4850 CG :: 24.4500 CD :: 29.0000 CE :: 42.0000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6640 HA :: 4.6930 HB2 :: 1.5300 HB3 :: 1.6270 HG2 :: 1.3250 HG3 :: 1.2350 HD2 :: 1.6350 HD3 :: 1.6350 HE2 :: 2.9780 HE3 :: 2.9780 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.9400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.3110 CA :: 61.8750 CB :: 32.1490 CG :: 26.5000 CD :: 51.2000 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.9270 HB2 :: 1.6820 HB3 :: 2.0830 HG2 :: 1.2510 HG3 :: 1.0880 HD2 :: 3.4200 HD3 :: 3.4200 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.D160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.27 K 0.12 N 0.08 R 0.06 F 0.05 Y 0.03 C Shift Assignments>> C :: 175.9540 CA :: 53.1510 CB :: 41.9140 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 :: 7.5170 HA :: 4.4310 HB2 :: 2.4990 HB3 :: 2.8720 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 :: 119.7060 Ave N Shift Values>> N :: 120.65(3.86) 1.A161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.34 I 0.06 V 0.01 HN Overlap>> 1.V50 1.V50 C Shift Assignments>> C :: 180.1300 CA :: 55.8530 CB :: 18.5590 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1980 HA :: 3.9380 HB1 :: 1.4120 HB2 :: 1.4120 HB3 :: 1.4120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7600 Ave N Shift Values>> N :: 123.23(3.54) 1.K162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.36 G 0.01 HN Overlap>> 1.D115 1.D115 C Shift Assignments>> C :: 178.9300 CA :: 58.4570 CB :: 31.5080 CG :: 24.7100 CD :: 28.5000 CE :: 42.1900 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 :: 8.1010 HA :: 4.0790 HB2 :: 1.8070 HB3 :: 1.8070 HG2 :: 1.4330 HG3 :: 1.4330 HD2 :: 1.6660 HD3 :: 1.6660 HE2 :: 2.9630 HE3 :: 2.9630 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.7490 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E163 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.43 Q 0.22 M 0.16 K 0.13 I 0.03 HN Overlap>> 1.K49 1.K49 C Shift Assignments>> C :: 178.9530 CA :: 58.2750 CB :: 30.3980 CG :: 35.1900 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.6800 HA :: 3.6490 HB2 :: 1.5680 HB3 :: 1.9300 HG2 :: 1.8660 HG3 :: 0.7880(S) 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 :: 119.6060 Ave N Shift Values>> N :: 120.67(3.48) 1.L164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 G 0.01 C Shift Assignments>> C :: 179.0310 CA :: 57.4480 CB :: 41.9710 CG :: 27.0000 CD1 :: 24.3600 CD2 :: 24.3600 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 :: 7.8740 HA :: 3.9090 HB2 :: 1.5820 HB3 :: 1.7120 HG :: 1.6080 HD11 :: 0.8930 HD12 :: 0.8930 HD13 :: 0.8930 HD21 :: 0.8930 HD22 :: 0.8930 HD23 :: 0.8930 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 :: 116.6580 Ave N Shift Values>> N :: 121.86(3.9) 1.E165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.12 I 0.11 Q 0.09 M 0.07 C Shift Assignments>> C :: 176.7900 CA :: 58.4530 CB :: 29.9270 CG :: 36.0500 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 :: 7.4420 HA :: 4.1560 HB2 :: 2.1160 HB3 :: 2.1160 HG2 :: 2.4640 HG3 :: 2.2690 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.0750 Ave N Shift Values>> N :: 120.67(3.48) 1.N166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.29 L 0.08 F 0.06 Y 0.05 C Shift Assignments>> C :: 176.8760 CA :: 52.4960 CB :: 39.7000 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 :: 7.5060 HA :: 5.1270 HB2 :: 2.8710 HB3 :: 2.8710 HD21 :: 7.4040 HD22 :: 6.8150 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 :: 116.9630 ND2 :: 113.3800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 H 0.42 C Shift Assignments>> C :: 177.0570 CA :: 59.4470 CB :: 29.7960 CD2 :: 120.6700 CE1 :: 139.1500 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 :: 7.3910 HA :: 4.4650 HB2 :: 3.4390 HB3 :: 3.4390 HD2 :: 7.4880 HE1 :: 8.0880 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 :: 118.6900 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.24 K 0.15 Q 0.09 R 0.01 C Shift Assignments>> C :: 176.3880 CA :: 58.4780 CB :: 28.4050 CG :: 36.0900 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 :: 8.9530 HA :: 4.4090 HB2 :: 1.8070 HB3 :: 1.9410 HG2 :: 2.0000 HG3 :: 2.0000 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 :: 122.4720 Ave N Shift Values>> N :: 120.67(3.48) 1.H169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.52 W 0.47 C Shift Assignments>> C :: 173.9330 CA :: 55.4160 CB :: 28.9840 CD2 :: 119.6600 CE1 :: 137.3400 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 :: 8.0420 HA :: 4.5480 HB2 :: 2.8880 HB3 :: 3.2350 HD2 :: 6.9520 HE1 :: 8.2340 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 :: 115.8240 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.2890 CA :: 63.0200 CB :: 37.7510 CG1 :: 28.9000 CG2 :: 18.0000 CD1 :: 14.4800 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 :: 7.5110 HA :: 4.5800 HB :: 2.1350 HG12 :: 1.9870 HG13 :: 1.1900 HG21 :: 0.9130 HG22 :: 0.9130 HG23 :: 0.9130 HD11 :: 0.7140 HD12 :: 0.7140 HD13 :: 0.7140 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 :: 121.6350 Ave N Shift Values>> N :: 121.46(4.28) 1.V171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 A 0.06 HN Overlap>> 1.K180 1.A119 1.K180 1.A119 C Shift Assignments>> C :: 173.8060 CA :: 58.9690 CB :: 35.5190 CG1 :: 21.0000 CG2 :: 18.9800 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 :: 8.4320 HA :: 4.6370 HB :: 2.1700 HG11 :: 0.8180 HG12 :: 0.8180 HG13 :: 0.8180 HG21 :: 0.5720 HG22 :: 0.5720 HG23 :: 0.5720 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 :: 122.1360 Ave N Shift Values>> N :: 121.14(4.54) 1.V172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.5340 CA :: 60.4280 CB :: 34.1570 CG1 :: 20.5700 CG2 :: 22.7900 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 :: 8.5550 HA :: 4.7420 HB :: 1.5030 HG11 :: 0.2760 HG12 :: 0.2760 HG13 :: 0.2760 HG21 :: 0.6990 HG22 :: 0.6990 HG23 :: 0.6990 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.2640 Ave N Shift Values>> N :: 121.14(4.54) 1.L173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.4 A 0.15 HN Overlap>> 1.E106 1.E106 C Shift Assignments>> C :: 176.1680 CA :: 52.4060 CB :: 44.4390 CG :: 26.4400 CD1 :: 24.9900 CD2 :: 22.3400 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 :: 9.3050 HA :: 4.9940 HB2 :: 1.0430 HB3 :: 1.4730 HG :: 1.4230 HD11 :: 0.5890 HD12 :: 0.5890 HD13 :: 0.5890 HD21 :: 0.5860 HD22 :: 0.5860 HD23 :: 0.5860 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.3640 Ave N Shift Values>> N :: 121.86(3.9) 1.H174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.56 W 0.43 C Shift Assignments>> C :: 174.1120 CA :: 53.9450 CB :: 31.1170 CD2 :: 122.2500 CE1 :: 137.7900 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.2320 HA :: 5.0120 HB2 :: 2.8720 HB3 :: 3.0470 HD2 :: 6.6800 HE1 :: 7.9330 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 :: 122.5510 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.5170 CA :: 59.8580 CB :: 39.0140 CG1 :: 27.4700 CG2 :: 18.0000 CD1 :: 14.9800 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 :: 7.6770 HA :: 4.4700 HB :: 1.3800 HG12 :: 1.1840 HG13 :: 0.7570 HG21 :: 0.7430 HG22 :: 0.7430 HG23 :: 0.7430 HD11 :: 0.6050 HD12 :: 0.6050 HD13 :: 0.6050 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 :: 128.4690 Ave N Shift Values>> N :: 121.46(4.28) 1.D176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.21 N 0.2 K 0.06 F 0.06 Y 0.04 C Shift Assignments>> C :: 177.5800 CA :: 52.8710 CB :: 41.1060 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 :: 8.2740 HA :: 4.3360 HB2 :: 2.5540 HB3 :: 3.2470 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 :: 126.6100 Ave N Shift Values>> N :: 120.65(3.86) 1.D177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 D 0.18 L 0.16 K 0.06 N 0.04 I 0.03 C Shift Assignments>> C :: 176.3970 CA :: 56.7120 CB :: 40.4130 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 :: 8.2560 HA :: 4.3990 HB2 :: 2.6100 HB3 :: 2.7740 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.9390 Ave N Shift Values>> N :: 120.65(3.86) 1.A178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.07 C Shift Assignments>> C :: 177.7330 CA :: 51.5770 CB :: 19.0020 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1340 HA :: 4.4600 HB1 :: 1.4350 HB2 :: 1.4350 HB3 :: 1.4350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1890 Ave N Shift Values>> N :: 123.23(3.54) 1.G179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.6000 CA :: 45.4490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0100 HA2 :: 3.3710 HA3 :: 4.1210 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9020 Ave N Shift Values>> N :: 109.67(3.87) 1.K180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.24 G 0.01 HN Overlap>> 1.V171 1.V171 C Shift Assignments>> C :: 175.1870 CA :: 55.5280 CB :: 32.4900 CG :: 24.9500 CD :: 29.0000 CE :: 42.2300 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 :: 8.3620 HA :: 4.3160 HB2 :: 1.7690 HB3 :: 1.8640 HG2 :: 1.2490 HG3 :: 1.2490 HD2 :: 1.6280 HD3 :: 1.6280 HE2 :: 2.9680 HE3 :: 2.9680 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 :: 122.0630 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 L 0.17 C Shift Assignments>> C :: 176.9520 CA :: 50.1440 CB :: 21.9980 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3910 HA :: 5.4050 HB1 :: 1.1740 HB2 :: 1.1740 HB3 :: 1.1740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.7490 Ave N Shift Values>> N :: 123.23(3.54) 1.V182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.0530 CA :: 60.1900 CB :: 35.5110 CG1 :: 21.0000 CG2 :: 20.2200 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 :: 8.8100 HA :: 4.4980 HB :: 2.1750 HG11 :: 1.0460 HG12 :: 1.0460 HG13 :: 1.0460 HG21 :: 0.9950 HG22 :: 0.9950 HG23 :: 0.9950 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 :: 120.2430 Ave N Shift Values>> N :: 121.14(4.54) 1.S183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F107 1.F107 C Shift Assignments>> C :: 174.5760 CA :: 58.9590 CB :: 63.8650 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5870 HA :: 4.7460 HB2 :: 3.8200 HB3 :: 3.7830 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 :: 120.0830 Ave N Shift Values>> N :: 116.28(3.52) 1.V184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.0750 CA :: 60.0300 CB :: 32.3160 CG1 :: 22.0000 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 :: 8.5530 HA :: 4.5610 HB :: 1.9060 HG11 :: 0.9630 HG12 :: 0.9630 HG13 :: 0.9630 HG21 :: 1.0250 HG22 :: 1.0250 HG23 :: 1.0250 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 :: 125.5920 Ave N Shift Values>> N :: 121.14(4.54) 1.P185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.2470 CA :: 65.3490 CB :: 32.0300 CG :: 27.4600 CD :: 51.5300 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 :: 4.4750 HB2 :: 2.0910 HB3 :: 2.4650 HG2 :: 2.2150 HG3 :: 2.0920 HD2 :: 4.0300 HD3 :: 4.1850 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.S186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0840 CA :: 58.9840 CB :: 63.5100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9820 HA :: 4.3960 HB2 :: 4.0480 HB3 :: 4.2680 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 :: 109.9900 Ave N Shift Values>> N :: 116.28(3.52) 1.G187 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.1540 CA :: 46.3760 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9780 HA2 :: 3.5480 HA3 :: 5.1490(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.5190 Ave N Shift Values>> N :: 109.67(3.87) 1.K188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 G 0.06 R 0.05 A 0.04 C Shift Assignments>> C :: 174.6560 CA :: 55.5720 CB :: 35.6150 CG :: 23.5600 CD :: 29.3500 CE :: 42.4600 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.0540 HA :: 4.8650 HB2 :: 1.8770 HB3 :: 2.0050 HG2 :: 1.5140 HG3 :: 1.3840 HD2 :: 1.7400 HD3 :: 1.7400 HE2 :: 3.0310 HE3 :: 3.0310 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.2410 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.3380 CA :: 57.8960 CB :: 39.6930 CD1 :: 132.6000 CD2 :: 132.6000 CE1 :: 118.0000 CE2 :: 118.0000 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 :: 9.5890 HA :: 5.0270 HB2 :: 3.0620 HB3 :: 3.0620 HD1 :: 6.8730 HD2 :: 6.8730 HE1 :: 6.6430 HE2 :: 6.6430 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 :: 124.1310 Ave N Shift Values>> N :: 120.52(4.2) 1.E190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 M 0.32 Q 0.17 K 0.09 C Shift Assignments>> C :: 174.5720 CA :: 52.6200 CB :: 30.3960 CG :: 35.7600 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 :: 8.4100 HA :: 4.8580 HB2 :: 1.8310 HB3 :: 1.8310 HG2 :: 2.1110 HG3 :: 2.0330 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 :: 128.8660 Ave N Shift Values>> N :: 120.67(3.48) 1.P191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.4550 CA :: 64.5630 CB :: 31.9630 CG :: 26.4700 CD :: 51.4000 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.9030 HB2 :: 1.9740 HB3 :: 2.1860 HG2 :: 1.8790 HG3 :: 1.5230 HD2 :: 3.8300 HD3 :: 3.6400 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.S192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8110 CA :: 60.6680 CB :: 62.4420 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4510 HA :: 4.1870 HB2 :: 3.8520 HB3 :: 3.8520 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 :: 111.3550 Ave N Shift Values>> N :: 116.28(3.52) 1.L193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.24 A 0.12 HN Overlap>> 1.N146 1.N146 C Shift Assignments>> C :: 177.4610 CA :: 54.4330 CB :: 45.8830 CG :: 26.4000 CD1 :: 22.4600 CD2 :: 24.9800 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 :: 6.9350 HA :: 4.4930 HB2 :: 1.4600 HB3 :: 1.4600 HG :: 1.4760 HD11 :: 0.7330 HD12 :: 0.7330 HD13 :: 0.7330 HD21 :: 0.7130 HD22 :: 0.7130 HD23 :: 0.7130 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.5250 Ave N Shift Values>> N :: 121.86(3.9) 1.G194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.5750 CA :: 46.9710 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9050 HA2 :: 3.9960 HA3 :: 4.0840 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6770 Ave N Shift Values>> N :: 109.67(3.87) 1.V195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 V 0.16 I 0.01 C Shift Assignments>> C :: 173.9880 CA :: 57.3880 CB :: 36.0870 CG1 :: 18.4990 CG2 :: 20.4760 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.7070 HA :: 5.3350 HB :: 1.7280 HG11 :: 0.6410 HG12 :: 0.6410 HG13 :: 0.6410 HG21 :: 0.6550 HG22 :: 0.6550 HG23 :: 0.6550 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 :: 106.4010 Ave N Shift Values>> N :: 121.14(4.54) 1.V196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.2660 CA :: 61.0600 CB :: 32.6470 CG1 :: 23.0500 CG2 :: 22.4600 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 :: 8.9190 HA :: 4.9740 HB :: 1.9550 HG11 :: 1.1190 HG12 :: 1.1190 HG13 :: 1.1190 HG21 :: 0.8450 HG22 :: 0.8450 HG23 :: 0.8450 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 :: 120.1740 Ave N Shift Values>> N :: 121.14(4.54) 1.T197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.A207 1.A207 C Shift Assignments>> C :: 172.8820 CA :: 59.5580 CB :: 71.6990 CG2 :: 21.2400 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 :: 9.0920 HA :: 5.8560 HB :: 3.8370 HG21 :: 1.0940 HG22 :: 1.0940 HG23 :: 1.0940 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.9770 Ave N Shift Values>> N :: 115.42(4.75) 1.F198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 F 0.48 HN Overlap>> 1.S154 1.S154 C Shift Assignments>> C :: 171.5310 CA :: 56.4240 CB :: 39.9450 CD1 :: 132.2600 CD2 :: 132.2600 CE1 :: 130.0100 CE2 :: 130.0100 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 :: 8.8150 HA :: 4.7760 HB2 :: 2.9070 HB3 :: 3.0360 HD1 :: 6.6650 HD2 :: 6.6650 HE1 :: 6.3440 HE2 :: 6.3440 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 :: 119.1380 Ave N Shift Values>> N :: 120.45(4.18) 1.E199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 E 0.28 Q 0.01 C Shift Assignments>> C :: 175.9510 CA :: 53.9370 CB :: 33.9290 CG :: 36.5700 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 :: 8.4050 HA :: 5.4580 HB2 :: 1.8620 HB3 :: 1.8620 HG2 :: 2.1830 HG3 :: 2.0280 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 :: 116.3390 Ave N Shift Values>> N :: 120.67(3.48) 1.T200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 A 0.02 C Shift Assignments>> C :: 171.2550 CA :: 59.5700 CB :: 70.4590 CG2 :: 19.5800 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 :: 8.6760 HA :: 5.0200 HB :: 4.2270 HG21 :: 1.2030 HG22 :: 1.2030 HG23 :: 1.2030 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 :: 112.1010 Ave N Shift Values>> N :: 115.42(4.75) 1.N201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.32 L 0.12 F 0.09 Y 0.08 HN Overlap>> 1.K205 1.K205 C Shift Assignments>> C :: 172.7060 CA :: 53.5080 CB :: 39.9410 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 :: 8.3570 HA :: 5.0960 HB2 :: 2.6700 HB3 :: 2.7820 HD21 :: 7.5620 HD22 :: 6.7280 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 :: 124.1450 ND2 :: 111.0200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 W 0.44 C Shift Assignments>> C :: 173.6560 CA :: 55.1720 CB :: 31.4320 CD2 :: 120.7200 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 :: 8.4340 HA :: 5.2640 HB2 :: 3.0670 HB3 :: 3.0670 HD2 :: 7.2400 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.7130 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 G 0.41 A 0.01 HN Overlap>> 1.A77 1.A77 C Shift Assignments>> C :: 180.8990 CA :: 57.0680 CB :: 48.0010 CG :: 26.9700 CD1 :: 24.4760 CD2 :: 25.4900 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 :: 9.0240 HA :: 4.6770 HB2 :: 1.8910 HB3 :: 1.9790 HG :: 1.8710 HD11 :: 1.1700 HD12 :: 1.1700 HD13 :: 1.1700 HD21 :: 0.6550 HD22 :: 0.6550 HD23 :: 0.6550 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.4230 Ave N Shift Values>> N :: 121.86(3.9) 1.S204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 170.7080 CA :: 57.9710 CB :: 64.3750 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.2910 HB2 :: 4.0540 HB3 :: 4.1730 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.K205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 R 0.48 G 0.01 HN Overlap>> 1.N201 1.N201 C Shift Assignments>> C :: 175.4090 CA :: 56.0610 CB :: 35.9440 CG :: 25.6900 CD :: 29.9100 CE :: 42.0000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3110 HA :: 5.5320 HB2 :: 1.3380 HB3 :: 2.0050 HG2 :: 1.7000 HG3 :: 1.2210 HD2 :: 1.4880 HD3 :: 1.4040 HE2 :: 3.0290 HE3 :: 3.0290 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.1640 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.81 G 0.18 C Shift Assignments>> C :: 173.2930 CA :: 56.9700 CB :: 43.2170 CD1 :: 133.5500 CD2 :: 133.5500 CE1 :: 117.6900 CE2 :: 117.6900 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 :: 9.1770 HA :: 5.5400 HB2 :: 2.4870 HB3 :: 2.6390 HD1 :: 6.7890 HD2 :: 6.7890 HE1 :: 6.6310 HE2 :: 6.6310 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.2100 Ave N Shift Values>> N :: 120.52(4.2) 1.A207 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.94 L 0.02 HN Overlap>> 1.T197 1.T197 C Shift Assignments>> C :: 175.4820 CA :: 49.4270 CB :: 26.0200(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1770 HA :: 5.4540 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 :: 122.0180 Ave N Shift Values>> N :: 123.23(3.54) 1.V208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.9640 CA :: 62.3970 CB :: 32.4220 CG1 :: 22.6000 CG2 :: 21.4900 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 :: 7.8630 HA :: 4.3020 HB :: 1.5110 HG11 :: 0.7600 HG12 :: 0.7600 HG13 :: 0.7600 HG21 :: 0.2850 HG22 :: 0.2850 HG23 :: 0.2850 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 :: 121.6980 Ave N Shift Values>> N :: 121.14(4.54) 1.S209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.2040 CA :: 55.9730 CB :: 65.4280 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3510 HA :: 4.6200 HB2 :: 3.0850 HB3 :: 3.4820 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 :: 115.1690 Ave N Shift Values>> N :: 116.28(3.52) 1.Y210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 F 0.27 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> C :: 174.7210 CA :: 56.9900 CB :: 41.6390 CD1 :: 133.2300 CD2 :: 133.2300 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 :: 7.9530 HA :: 5.2500 HB2 :: 2.6690 HB3 :: 2.7800 HD1 :: 6.6940 HD2 :: 6.6940 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 :: 122.6090 Ave N Shift Values>> N :: 120.52(4.2) 1.V211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.8750 CA :: 61.1580 CB :: 33.1080 CG1 :: 21.1000 CG2 :: 20.7000 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 :: 7.8970 HA :: 4.1170 HB :: 1.8990 HG11 :: 0.7610 HG12 :: 0.7610 HG13 :: 0.7610 HG21 :: 0.8050 HG22 :: 0.8050 HG23 :: 0.8050 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 :: 125.5730 Ave N Shift Values>> N :: 121.14(4.54) 1.Y212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.0490 CA :: 58.1820 CB :: 39.0140 CD1 :: 132.9800 CD2 :: 132.9800 CE1 :: 118.3000 CE2 :: 118.3000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.6640 HA :: 4.2060 HB2 :: 2.6680 HB3 :: 2.7990 HD1 :: 6.9640 HD2 :: 6.9640 HE1 :: 6.7720 HE2 :: 6.7720 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 :: 124.3880 Ave N Shift Values>> N :: 120.52(4.2) 1.K213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 G 0.01 C Shift Assignments>> C :: 175.4090 CA :: 55.9450 CB :: 33.4580 CG :: 24.4700 CD :: 28.9700 CE :: 42.0800 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 :: 7.7520 HA :: 4.2390 HB2 :: 1.5030 HB3 :: 1.6080 HG2 :: 1.1430 HG3 :: 1.1430 HD2 :: 1.5510 HD3 :: 1.5510 HE2 :: 3.0300 HE3 :: 3.0300 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.2280 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.1370 CA :: 61.4820 CB :: 69.9630 CG2 :: 21.4500 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9670 HA :: 4.2200 HB :: 4.0910 HG21 :: 1.0620 HG22 :: 1.0620 HG23 :: 1.0620 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.5140 Ave N Shift Values>> N :: 115.42(4.75) 1.F215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 F 0.36 C Shift Assignments>> C :: 175.2680 CA :: 57.8830 CB :: 39.4740 CD1 :: 132.9670 CD2 :: 132.9670 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 :: 8.0890 HA :: 4.5800 HB2 :: 3.0020 HB3 :: 3.1680 HD1 :: 7.1390 HD2 :: 7.1390 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.4870 Ave N Shift Values>> N :: 120.45(4.18) 1.A216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 HN Overlap>> 1.V43 1.V43 C Shift Assignments>> C :: 176.9650 CA :: 52.4980 CB :: 19.4530 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0410 HA :: 4.2640 HB1 :: 1.3160 HB2 :: 1.3160 HB3 :: 1.3160 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.3430 Ave N Shift Values>> N :: 123.23(3.54) 1.D217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.24 K 0.13 F 0.09 N 0.09 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.3080 CA :: 54.3430 CB :: 41.3050 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 :: 8.0650 HA :: 4.5930 HB2 :: 2.6060 HB3 :: 2.7250 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 :: 119.1940 Ave N Shift Values>> N :: 120.65(3.86) 1.I218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.6260 CA :: 61.8440 CB :: 38.7090 CG1 :: 27.3000 CG2 :: 17.3900 CD1 :: 13.0000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9310 HA :: 4.1750 HB :: 1.9190 HG12 :: 1.4700 HG13 :: 1.2030 HG21 :: 0.9280 HG22 :: 0.9280 HG23 :: 0.9280 HD11 :: 0.8670 HD12 :: 0.8670 HD13 :: 0.8670 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 :: 120.2390 Ave N Shift Values>> N :: 121.46(4.28) 1.G219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.9480 CA :: 45.4510 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3380 HA2 :: 3.9680 HA3 :: 3.9680 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.6810 Ave N Shift Values>> N :: 109.67(3.87) 1.S220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3030 CA :: 58.1690 CB :: 64.0090 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9860 HA :: 4.4950 HB2 :: 3.8460 HB3 :: 3.8800 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 :: 115.1880 Ave N Shift Values>> N :: 116.28(3.52) 1.L221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.05 G 0.02 A 0.02 C Shift Assignments>> C :: 176.2320 CA :: 55.5410 CB :: 42.3780 CG :: 26.9500 CD1 :: 23.4900 CD2 :: 24.9300 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 :: 8.2300 HA :: 4.3880 HB2 :: 1.6530 HB3 :: 1.6530 HG :: 1.6130 HD11 :: 0.8670 HD12 :: 0.8670 HD13 :: 0.8670 HD21 :: 0.9090 HD22 :: 0.9090 HD23 :: 0.9090 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.3770 Ave N Shift Values>> N :: 121.86(3.9) 1.E222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.71 I 0.11 M 0.08 K 0.06 Q 0.02 C Shift Assignments>> CA :: 56.9840 CB :: 30.0330 CG :: 37.1000 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 :: 8.1500 HA :: 4.2160 HB2 :: 2.1270 HB3 :: 2.1270 HG2 :: 2.2520 HG3 :: 2.2520 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 :: 120.0480 Ave N Shift Values>> N :: 120.67(3.48) 1.H223 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H224 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H225 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H226 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H227 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H228 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 224 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 220 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 228 #Suspicious: 0 C Shift Results: #Consistent:1004 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1621 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 227 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I153 HB = -0.0260(S), Expected = 1.78, Std = 0.2900, ChiSquare = 4.7368e-10 1.E163 HG3 = 0.7880(S), Expected = 2.25, Std = 0.2200, ChiSquare = 3.0228e-11 1.G187 HA3 = 5.1490(S), Expected = 3.90, Std = 0.3700, ChiSquare = 7.3635e-04 1.A207 Typing: Mistyped 1.A207 CB = 26.0200(S), Expected = 19.01, Std = 1.8300, ChiSquare = 1.2783e-04