Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.8200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.R64 1.R64 C Shift Assignments>> C :: 174.5100 CA :: 61.7900 CB :: 70.7140 CG2 :: 21.5200 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 :: 8.5690 HA :: 4.5300 HB :: 4.1700 HG21 :: 0.7600 HG22 :: 0.7600 HG23 :: 0.7600 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.6860 Ave N Shift Values>> N :: 115.42(4.75) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.36 C 0.25 HN Overlap>> 1.I88 1.I88 C Shift Assignments>> C :: 174.7100 CA :: 55.5860 CB :: 30.3600 CD2 :: 120.0800 CE1 :: 137.8500 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 :: 8.6000 HA :: 5.0400 HD2 :: 7.0960 HE1 :: 8.0600 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 :: 123.0180 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.4190 CA :: 52.4490 CB :: 19.2540 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3750 HA :: 4.3224 HB1 :: 1.3577 HB2 :: 1.3577 HB3 :: 1.3577 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0980 Ave N Shift Values>> N :: 123.23(3.54) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 177.5830 CA :: 52.6650 CB :: 19.0500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2810 HA :: 4.2393 HB1 :: 1.3002 HB2 :: 1.3002 HB3 :: 1.3002 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.9450 Ave N Shift Values>> N :: 123.23(3.54) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.46 F 0.27 C 0.25 C Shift Assignments>> C :: 175.6280 CA :: 57.8200 CB :: 39.4690 CD1 :: 131.2900 CD2 :: 130.9200 CE1 :: 133.1300 CE2 :: 133.1300 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.0490 HA :: 4.5200 HB2 :: 2.9858 HB3 :: 2.9858 HD1 :: 7.0610 HD2 :: 7.0610 HE1 :: 7.1430 HE2 :: 7.1430 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 :: 118.8420 Ave N Shift Values>> N :: 120.45(4.18) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.25 M 0.18 K 0.17 E 0.09 HN Overlap>> 1.I12 1.I12 C Shift Assignments>> C :: 176.1270 CA :: 56.3780 CB :: 30.3530 CG :: 33.9000 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 :: 8.1590 HA :: 4.2940 HB2 :: 2.0610 HB3 :: 1.9770 HG2 :: 2.3460 HG3 :: 2.3460 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 :: 122.2310 Ave N Shift Values>> N :: 120.67(3.48) 1.Y8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 Y 0.32 C Shift Assignments>> C :: 176.2210 CA :: 58.4710 CB :: 38.6030 CD1 :: 130.6400 CD2 :: 130.6400 CE1 :: 117.4200 CE2 :: 117.4200 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 :: 8.1280 HA :: 4.4630 HB2 :: 3.0250 HB3 :: 2.9410 HD1 :: 6.2170 HD2 :: 6.2170 HE1 :: 6.2730 HE2 :: 6.2730 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.3530 Ave N Shift Values>> N :: 120.52(4.2) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5440 CA :: 58.5590 CB :: 63.6950 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1770 HA :: 4.4795 HB2 :: 3.8710 HB3 :: 3.8150 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 :: 116.7900 Ave N Shift Values>> N :: 116.28(3.52) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.39 R 0.13 HN Overlap>> 1.W36 1.W36 C Shift Assignments>> C :: 176.6910 CA :: 56.6020 CB :: 32.9890 CG :: 24.4160 CD :: 28.8760 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 :: 8.1740 HA :: 4.3220 HB2 :: 1.8510 HB3 :: 1.7290 HG2 :: 1.4910 HG3 :: 1.3990 HD2 :: 1.6820 HD3 :: 1.6820 HE2 :: 2.9940 HE3 :: 2.9390 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 :: 122.8280 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6740 CA :: 58.3260 CB :: 63.7330 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2150 HA :: 4.4730 HB2 :: 3.8240 HB3 :: 3.8240 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 :: 116.5700 Ave N Shift Values>> N :: 116.28(3.52) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 176.7510 CA :: 61.3780 CB :: 38.5950 CG1 :: 26.8900 CG2 :: 17.1400 CD1 :: 13.1000 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 :: 8.1190 HA :: 4.1680 HB :: 1.8330 HG12 :: 1.4760 HG13 :: 1.1760 HG21 :: 0.8910 HG22 :: 0.8910 HG23 :: 0.8910 HD11 :: 0.8490 HD12 :: 0.8490 HD13 :: 0.8490 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.2410 Ave N Shift Values>> N :: 121.46(4.28) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.5060 CA :: 45.2620 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4220 HA2 :: 3.9650 HA3 :: 3.9650 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.4280 Ave N Shift Values>> N :: 109.67(3.87) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.9590 CA :: 45.0710 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2260 HA2 :: 3.9750 HA3 :: 3.9750 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.5640 Ave N Shift Values>> N :: 109.67(3.87) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 172.8930 CA :: 59.8520 CB :: 69.7410 CG2 :: 21.6800 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 :: 8.1170 HA :: 4.6210 HB :: 4.1490 HG21 :: 1.2390 HG22 :: 1.2390 HG23 :: 1.2390 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.1960 Ave N Shift Values>> N :: 115.42(4.75) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.5820 CA :: 63.2980 CB :: 32.0730 CG :: 27.2330 CD :: 51.1400 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 :: 4.3790 HB2 :: 2.2740 HB3 :: 1.8700 HG2 :: 2.0320 HG3 :: 1.9880 HD2 :: 3.7120 HD3 :: 3.8580 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.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.7860 CA :: 52.4120 CB :: 19.0670 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3450 HA :: 4.3722 HB1 :: 1.3783 HB2 :: 1.3783 HB3 :: 1.3783 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.0450 Ave N Shift Values>> N :: 123.23(3.54) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.28 R 0.02 G 0.01 A 0.01 C Shift Assignments>> C :: 177.0470 CA :: 55.2140 CB :: 42.3700 CG :: 26.9980 CD1 :: 24.5330 CD2 :: 23.7110 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 :: 8.1680 HA :: 4.2835 HB2 :: 1.5889 HB3 :: 1.5889 HG :: 1.3463 HD11 :: 0.9220 HD12 :: 0.9220 HD13 :: 0.9220 HD21 :: 0.8670 HD22 :: 0.8670 HD23 :: 0.8670 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.1300 Ave N Shift Values>> N :: 121.86(3.9) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.21 N 0.12 F 0.09 K 0.08 Y 0.07 C 0.05 C Shift Assignments>> C :: 176.1700 CA :: 54.1510 CB :: 41.0200 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 :: 8.2610 HA :: 4.6710 HB2 :: 2.6780 HB3 :: 2.6030 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.8460 Ave N Shift Values>> N :: 120.65(3.86) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.38 G 0.06 K 0.04 C Shift Assignments>> C :: 176.1700 CA :: 56.1300 CB :: 30.4770 CG :: 26.9980 CD :: 43.3150 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1720 HA :: 4.2940 HB2 :: 1.8700 HB3 :: 1.7290 HG2 :: 1.6320 HG3 :: 1.5600 HD2 :: 3.1970 HD3 :: 3.1970 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.6200 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.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.38 K 0.06 G 0.04 HN Overlap>> 1.I66 1.I66 C Shift Assignments>> C :: 176.5630 CA :: 56.0690 CB :: 30.5480 CG :: 26.8810 CD :: 43.0800 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.3510 HA :: 4.3030 HB2 :: 1.8130 HB3 :: 1.7760 HG2 :: 1.5640 HG3 :: 1.5640 HD2 :: 3.3240 HD3 :: 3.3240 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.9740 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.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.1050 CA :: 62.5540 CB :: 32.5370 CG1 :: 20.8200 CG2 :: 20.6800 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1420 HA :: 4.0590 HB :: 2.0670 HG11 :: 0.9480 HG12 :: 0.9480 HG13 :: 0.9480 HG21 :: 0.9270 HG22 :: 0.9270 HG23 :: 0.9270 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 :: 120.8710 Ave N Shift Values>> N :: 121.14(4.54) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.26 C 0.24 M 0.08 E 0.06 R 0.02 C Shift Assignments>> C :: 175.4330 CA :: 55.9410 CB :: 29.6060 CG :: 33.6890 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 :: 8.3850 HA :: 4.2940 HB2 :: 2.0570 HB3 :: 1.9450 HG2 :: 2.3430 HG3 :: 2.3430 HE21 :: 7.5570 HE22 :: 6.8350 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.2730 NE2 :: 112.4020 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.13 F 0.09 N 0.08 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.5820 CA :: 54.3870 CB :: 41.3650 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 :: 8.3850 HA :: 4.6040 HB2 :: 2.7250 HB3 :: 2.6120 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 :: 122.3140 Ave N Shift Values>> N :: 120.65(3.86) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 176.0920 CA :: 62.7060 CB :: 32.4420 CG1 :: 20.5420 CG2 :: 19.8380 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 :: 8.1350 HA :: 4.0590 HB :: 2.0950 HG11 :: 0.9190 HG12 :: 0.9190 HG13 :: 0.9190 HG21 :: 0.9190 HG22 :: 0.9190 HG23 :: 0.9190 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 :: 120.3060 Ave N Shift Values>> N :: 121.14(4.54) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.19 C 0.09 F 0.08 Y 0.08 L 0.05 C Shift Assignments>> C :: 175.1320 CA :: 53.4990 CB :: 38.9410 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 :: 8.4930 HA :: 4.7070 HB2 :: 2.8280 HB3 :: 2.7530 HD21 :: 7.7210 HD22 :: 6.9470 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 :: 121.1850 ND2 :: 113.1240 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 F 0.1 K 0.1 N 0.09 Y 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 176.4880 CA :: 54.6390 CB :: 41.0540 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2400 HA :: 4.6320 HB2 :: 2.7150 HB3 :: 2.6870 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.9830 Ave N Shift Values>> N :: 120.65(3.86) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.8750 CA :: 62.4450 CB :: 69.7920 CG2 :: 21.4810 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 :: 8.1390 HA :: 4.3070 HB :: 4.2440 HG21 :: 1.1900 HG22 :: 1.1900 HG23 :: 1.1900 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 :: 114.1480 Ave N Shift Values>> N :: 115.42(4.75) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.3750 CA :: 61.4100 CB :: 38.4480 CG1 :: 27.2330 CG2 :: 17.6070 CD1 :: 12.9120 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 :: 8.0929 HA :: 4.1720 HB :: 1.8880 HG12 :: 1.4770 HG13 :: 1.1780 HG21 :: 0.8950 HG22 :: 0.8950 HG23 :: 0.8950 HD11 :: 0.8480 HD12 :: 0.8480 HD13 :: 0.8480 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.5700 Ave N Shift Values>> N :: 121.46(4.28) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E101 1.E101 C Shift Assignments>> C :: 174.4480 CA :: 58.6130 CB :: 63.7650 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2772 HA :: 4.4070 HB2 :: 3.8430 HB3 :: 3.8150 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 :: 119.0780 Ave N Shift Values>> N :: 116.28(3.52) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.13 F 0.1 N 0.07 Y 0.07 C 0.05 R 0.02 C Shift Assignments>> C :: 177.2590 CA :: 54.6260 CB :: 41.3000 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 :: 8.2140 HA :: 4.6040 HB2 :: 2.7060 HB3 :: 2.6400 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 :: 122.6480 Ave N Shift Values>> N :: 120.65(3.86) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 177.1680 CA :: 63.7400 CB :: 31.9050 CG1 :: 20.9600 CG2 :: 20.9600 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1200 HA :: 3.9800 HB :: 2.1860 HG11 :: 0.9880 HG12 :: 0.9880 HG13 :: 0.9880 HG21 :: 0.9890 HG22 :: 0.9890 HG23 :: 0.9890 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 :: 120.7500 Ave N Shift Values>> N :: 121.14(4.54) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.41 R 0.15 HN Overlap>> 1.D82 1.D82 C Shift Assignments>> C :: 176.8640 CA :: 57.7920 CB :: 32.1870 CG :: 25.1100 CD :: 28.8760 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 :: 8.2620 HA :: 4.1910 HB2 :: 1.7790 HB3 :: 1.7760 HG2 :: 1.5100 HG3 :: 1.4180 HD2 :: 1.6250 HD3 :: 1.6250 HE2 :: 2.9490 HE3 :: 2.9490 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 :: 121.2950 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.24 E 0.08 R 0.04 M 0.03 C Shift Assignments>> C :: 175.5420 CA :: 56.4270 CB :: 28.7980 CG :: 34.0420 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 :: 7.9200 HA :: 4.0210 HB2 :: 2.1510 HB3 :: 2.0010 HG2 :: 2.3000 HG3 :: 2.2050 HE21 :: 7.4650 HE22 :: 6.8270 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.1440 NE2 :: 111.7230 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.36 R 0.19 G 0.01 C Shift Assignments>> C :: 176.3440 CA :: 56.4250 CB :: 33.0830 CG :: 24.6510 CD :: 28.5240 CE :: 42.3760 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 :: 7.7150 HA :: 4.2380 HB2 :: 1.7850 HB3 :: 1.7850 HG2 :: 1.4880 HG3 :: 1.3980 HD2 :: 1.6820 HD3 :: 1.6820 HE2 :: 2.9800 HE3 :: 2.9800 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 :: 119.4410 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.43 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 175.9100 CA :: 57.1670 CB :: 30.4030 CD1 :: 128.6000 CD2 :: 128.6000 CE2 :: 133.5800 CE3 :: 120.4200 CZ2 :: 114.8300 CZ3 :: 123.4100 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 :: 8.2002 HA :: 4.6610 HB2 :: 3.1750 HB3 :: 2.9130 HD1 :: 7.4700 HE1 :: 10.3970 HE3 :: 7.1030 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 :: 122.8340 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.34 K 0.25 G 0.02 C Shift Assignments>> C :: 174.6960 CA :: 55.0540 CB :: 32.6330 CG :: 26.4110 CD :: 42.7280 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 :: 9.2960 HA :: 4.9048 HB2 :: 1.8980 HB3 :: 1.8980 HG2 :: 1.7200 HG3 :: 1.6120 HD2 :: 3.3700 HD3 :: 3.1400 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.4490 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.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.26 L 0.07 C Shift Assignments>> C :: 174.7610 CA :: 57.8050 CB :: 47.5300 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.9700 HA :: 5.8350 HB2 :: 3.2420 HB3 :: 2.9410 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.2450 Ave N Shift Values>> N :: 120.17(4.64) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.13 A 0.01 C Shift Assignments>> C :: 174.5220 CA :: 59.0390 CB :: 36.2070 CG1 :: 19.6030 CG2 :: 21.3640 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 :: 9.6040 HA :: 4.9900 HB :: 2.4100 HG11 :: 1.0450 HG12 :: 1.0450 HG13 :: 1.0450 HG21 :: 1.0010 HG22 :: 1.0010 HG23 :: 1.0010 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 :: 117.4000 Ave N Shift Values>> N :: 121.14(4.54) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 174.4140 CA :: 63.1820 CB :: 32.6810 CG1 :: 20.5600 CG2 :: 22.8700 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 :: 3.7300 HB :: 1.9730 HG11 :: 0.7830 HG12 :: 0.7830 HG13 :: 0.7830 HG21 :: 0.8710 HG22 :: 0.8710 HG23 :: 0.8710 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 :: 123.1410 Ave N Shift Values>> N :: 121.14(4.54) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 172.8310 CA :: 50.9130 CB :: 38.6980 CD1 :: 133.8200 CD2 :: 133.8200 CE1 :: 118.4600 CE2 :: 118.4600 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 :: 8.5490 HA :: 5.1700 HB2 :: 2.8500 HB3 :: 2.5700 HD1 :: 7.1430 HD2 :: 7.1430 HE1 :: 6.8470 HE2 :: 6.8470 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 :: 130.1220 Ave N Shift Values>> N :: 120.52(4.2) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.14 C Shift Assignments>> C :: 177.0250 CA :: 64.8200 CB :: 31.4770 CG :: 27.1900 CD :: 50.9900 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 :: 4.0230 HB2 :: 2.2260 HB3 :: 1.7870 HG2 :: 2.1020 HG3 :: 1.8870 HD2 :: 4.0100 HD3 :: 3.3100 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.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.5660 CA :: 45.3980 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5860 HA2 :: 4.0120 HA3 :: 3.5610 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.2500 Ave N Shift Values>> N :: 109.67(3.87) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.27 K 0.14 R 0.06 N 0.06 F 0.06 C 0.04 Y 0.04 C Shift Assignments>> C :: 173.3730 CA :: 53.7230 CB :: 41.9380 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 :: 8.5628 HA :: 4.6610 HB2 :: 2.1610 HB3 :: 1.7290 HD21 :: 7.6930 HD22 :: 6.9320 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 :: 118.3880 ND2 :: 113.0390 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.2020 CA :: 45.8980 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6990 HA2 :: 4.3130 HA3 :: 3.5230 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.4470 Ave N Shift Values>> N :: 109.67(3.87) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.41 C 0.14 C Shift Assignments>> C :: 174.9130 CA :: 57.1610 CB :: 41.7860 CD1 :: 132.3300 CD2 :: 131.5300 CE1 :: 131.8000 CE2 :: 131.8000 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 :: 8.7250 HA :: 5.3560 HB2 :: 2.9080 HB3 :: 2.7451 HD1 :: 6.9240 HD2 :: 6.9240 HE1 :: 7.4200 HE2 :: 7.4200 HZ :: 7.0320 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.6070 Ave N Shift Values>> N :: 120.45(4.18) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.18 C Shift Assignments>> C :: 173.1560 CA :: 59.1460 CB :: 35.5110 CG1 :: 23.0070 CG2 :: 19.7200 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 :: 9.4310 HA :: 5.3550 HB :: 2.9160 HG11 :: 0.9290 HG12 :: 0.9290 HG13 :: 0.9290 HG21 :: 1.1130 HG22 :: 1.1130 HG23 :: 1.1130 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 :: 113.1790 Ave N Shift Values>> N :: 121.14(4.54) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8260 CA :: 56.9910 CB :: 64.3600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.6000 HA :: 5.5820 HB2 :: 3.8810 HB3 :: 3.8810 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 :: 116.5420 Ave N Shift Values>> N :: 116.28(3.52) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.17 K 0.13 P 0.11 A 0.02 R 0.01 C Shift Assignments>> C :: 175.6070 CA :: 51.3100 CB :: 24.4800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.6160 HA :: 5.6630 HB1 :: 1.2300 HB2 :: 1.2300 HB3 :: 1.2300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.7840 Ave N Shift Values>> N :: 123.23(3.54) 1.S50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.94 S 0.05 C Shift Assignments>> C :: 174.4360 CA :: 57.7920 CB :: 68.3140 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5000 HA :: 4.2580 HB2 :: 3.0430(S) HB3 :: 2.3720(S) 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 :: 114.0440 Ave N Shift Values>> N :: 116.28(3.52) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 175.3460 CA :: 62.5620 CB :: 38.0700 CG1 :: 27.3000 CG2 :: 17.1420 CD1 :: 14.1320 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 :: 8.1520 HA :: 3.7110 HB :: 1.3810 HG12 :: 0.7920 HG13 :: 0.6940 HG21 :: 0.2030 HG22 :: 0.2030 HG23 :: 0.2030 HD11 :: 0.5650 HD12 :: 0.5650 HD13 :: 0.5650 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 :: 115.3760 Ave N Shift Values>> N :: 121.46(4.28) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 F 0.43 Y 0.1 C Shift Assignments>> C :: 174.5870 CA :: 57.7920 CB :: 39.1320 CD1 :: 130.1900 CD2 :: 129.8300 CE1 :: 130.1600 CE2 :: 130.1600 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 :: 7.0960 HA :: 4.2940 HB2 :: 3.3170 HB3 :: 2.3300 HD1 :: 7.3090 HD2 :: 7.3090 HE1 :: 7.4120 HE2 :: 7.4120 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 :: 117.1790 Ave N Shift Values>> N :: 120.45(4.18) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.29 G 0.1 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 174.5700 CA :: 43.5310 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5900 HA2 :: 4.5850 HA3 :: 3.3170 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.4340 Ave N Shift Values>> N :: 109.67(3.87) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 F 0.31 C 0.14 Y 0.12 C Shift Assignments>> C :: 178.2520 CA :: 56.2490 CB :: 44.1130 CD1 :: 132.3000 CD2 :: 130.3700 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 :: 9.1580 HA :: 3.6305 HB2 :: 2.9780 HB3 :: 2.9780 HD1 :: 7.3970 HD2 :: 7.3970 HE1 :: 7.0280 HE2 :: 7.0280 HZ :: 7.0000 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.1150 Ave N Shift Values>> N :: 120.45(4.18) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.23 K 0.15 E 0.1 R 0.07 I 0.04 HN Overlap>> 1.D77 1.D77 C Shift Assignments>> C :: 176.9510 CA :: 58.2130 CB :: 27.5570 CG :: 34.5110 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 :: 8.7220 HA :: 4.5010 HB2 :: 2.3030 HB3 :: 2.1760 HG2 :: 2.1170 HG3 :: 1.6744 HE21 :: 7.4700 HE22 :: 6.8920 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.3210 NE2 :: 112.0630 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.18 A 0.16 K 0.07 P 0.01 C Shift Assignments>> C :: 176.6910 CA :: 51.0150 CB :: 23.5020 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6920 HA :: 5.1490 HB1 :: 1.2210 HB2 :: 1.2210 HB3 :: 1.2210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.8710 Ave N Shift Values>> N :: 123.23(3.54) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.33 E 0.21 Q 0.06 C Shift Assignments>> C :: 175.0430 CA :: 54.8100 CB :: 32.1460 CG :: 35.5680 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 :: 8.6340 HA :: 4.4820 HB2 :: 1.7100 HB3 :: 1.6060 HG2 :: 1.8870 HG3 :: 1.8830 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 :: 120.1320 Ave N Shift Values>> N :: 120.67(3.48) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 176.2360 CA :: 62.3750 CB :: 32.1330 CG1 :: 20.9300 CG2 :: 21.5600 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 :: 8.6150 HA :: 4.3220 HB :: 1.9820 HG11 :: 0.8410 HG12 :: 0.8410 HG13 :: 0.8410 HG21 :: 0.9660 HG22 :: 0.9660 HG23 :: 0.9660 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 :: 124.4360 Ave N Shift Values>> N :: 121.14(4.54) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.28 G 0.23 F 0.04 D 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 171.7510 CA :: 43.9520 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4480 HA2 :: 4.4940 HA3 :: 3.6940 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.2700 Ave N Shift Values>> N :: 109.67(3.87) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.5020 CA :: 63.3200 CB :: 31.8500 CG :: 26.9900 CD :: 49.7100 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 :: 4.3490 HB2 :: 2.2790 HB3 :: 1.8290 HG2 :: 1.9800 HG3 :: 1.9800 HD2 :: 3.5830 HD3 :: 3.4960 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.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.18 E 0.09 Y 0.09 F 0.06 M 0.06 D 0.04 L 0.01 C Shift Assignments>> C :: 174.6500 CA :: 53.8580 CB :: 37.2460 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 :: 9.0480 HA :: 4.4210 HB2 :: 2.9440 HB3 :: 2.8220 HD21 :: 7.6790 HD22 :: 6.8260 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 :: 117.6590 ND2 :: 113.5150 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.17 Y 0.11 E 0.08 F 0.08 D 0.05 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 174.8620 CA :: 54.2570 CB :: 37.5170 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 :: 8.5080 HA :: 4.3300 HB2 :: 3.1310 HB3 :: 2.7180 HD21 :: 7.7210 HD22 :: 6.9470 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 :: 112.9680 ND2 :: 113.5320 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.7270 CA :: 61.5560 CB :: 70.7210 CG2 :: 21.4810 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 :: 7.1020 HA :: 4.3710 HB :: 4.1050 HG21 :: 1.2410 HG22 :: 1.2410 HG23 :: 1.2410 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.8960 Ave N Shift Values>> N :: 115.42(4.75) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.38 G 0.12 K 0.09 HN Overlap>> 1.T2 1.T2 C Shift Assignments>> C :: 174.3060 CA :: 55.1020 CB :: 33.0650 CG :: 27.7000 CD :: 43.6300 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.5970 HA :: 5.0300 HB2 :: 1.7400 HB3 :: 1.5500 HG2 :: 1.6600 HG3 :: 1.5100 HD2 :: 3.1600 HD3 :: 3.1400 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.7450 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.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.1130 CA :: 56.2400 CB :: 65.3080 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1400 HA :: 4.0380 HB2 :: 3.5700 HB3 :: 3.5700 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 :: 114.4880 Ave N Shift Values>> N :: 116.28(3.52) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 HN Overlap>> 1.R21 1.R21 C Shift Assignments>> C :: 175.4770 CA :: 63.8600 CB :: 39.1200 CG1 :: 29.3460 CG2 :: 17.4900 CD1 :: 12.8800 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 :: 8.2770 HA :: 3.4110 HB :: 1.3150 HG12 :: 1.5140 HG13 :: 0.4170 HG21 :: 0.5630 HG22 :: 0.5630 HG23 :: 0.5630 HD11 :: 0.1830 HD12 :: 0.1830 HD13 :: 0.1830 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 :: 121.9590 Ave N Shift Values>> N :: 121.46(4.28) 1.R67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.44 C 0.38 G 0.11 K 0.03 L 0.01 C Shift Assignments>> C :: 173.6550 CA :: 56.5030 CB :: 29.9310 CG :: 26.5290 CD :: 43.7850 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.4740 HA :: 3.9180 HB2 :: 1.2820 HB3 :: 1.0520 HG2 :: 0.9180 HG3 :: 0.3120(S) HD2 :: 2.3950 HD3 :: 2.3950 HH12 :: 6.8360 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.4960 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.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.34 R 0.09 C Shift Assignments>> C :: 175.8450 CA :: 54.9400 CB :: 33.2800 CG :: 24.5330 CD :: 28.9940 CE :: 42.0240 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 :: 8.2830 HA :: 4.7070 HB2 :: 1.7100 HB3 :: 1.4560 HG2 :: 1.2310 HG3 :: 1.0870 HD2 :: 1.5540 HD3 :: 1.4810 HE2 :: 2.7410 HE3 :: 2.6520 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 :: 127.0460 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 F 0.23 C 0.22 C Shift Assignments>> C :: 176.3010 CA :: 56.3580 CB :: 41.5650 CD1 :: 133.9300 CD2 :: 132.0100 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 :: 9.4090 HA :: 4.7950 HB2 :: 3.2210 HB3 :: 2.7380 HD1 :: 7.1220 HD2 :: 7.1220 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 :: 121.5870 Ave N Shift Values>> N :: 120.45(4.18) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.19 Y 0.18 N 0.15 C 0.11 L 0.1 I 0.02 C Shift Assignments>> C :: 175.9970 CA :: 55.6020 CB :: 39.5580 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 :: 9.0420 HA :: 4.8110 HB2 :: 3.0540 HB3 :: 2.9880 HD21 :: 7.6120 HD22 :: 6.9040 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.1830 ND2 :: 112.8010 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 T 0.44 A 0.02 C Shift Assignments>> C :: 173.4810 CA :: 58.8400 CB :: 72.8430 CG2 :: 21.3640 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 :: 7.3960 HA :: 4.5480 HB :: 4.3880 HG21 :: 1.1860 HG22 :: 1.1860 HG23 :: 1.1860 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 :: 105.3600 Ave N Shift Values>> N :: 115.42(4.75) 1.M72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.45 A 0.03 C Shift Assignments>> C :: 178.0350 CA :: 57.5000 CB :: 30.9220 CG :: 32.1680 CE :: 17.5360 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 :: 7.9580 HA :: 3.3450 HB2 :: 1.6630 HB3 :: 1.4070 HG2 :: 2.4270 HG3 :: 2.2510 HE1 :: 2.1640 HE2 :: 2.1640 HE3 :: 2.1640 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.8750 Ave N Shift Values>> N :: 120.09(3.57) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.24 K 0.23 R 0.12 E 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 177.1680 CA :: 58.4760 CB :: 27.9470 CG :: 33.4550 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 :: 8.3780 HA :: 3.6170 HB2 :: 2.0760 HB3 :: 1.7760 HG2 :: 2.3280 HG3 :: 2.3260 HE21 :: 7.4620 HE22 :: 6.8350 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.0780 NE2 :: 111.7820 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.21 K 0.2 E 0.17 I 0.04 M 0.01 R 0.01 C Shift Assignments>> C :: 178.1000 CA :: 58.9490 CB :: 29.1180 CG :: 34.6280 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 :: 7.7610 HA :: 4.0310 HB2 :: 2.2080 HB3 :: 2.2080 HG2 :: 2.5370 HG3 :: 2.5080 HE21 :: 7.5670 HE22 :: 7.0960 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.1580 NE2 :: 111.5790 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.29 Y 0.25 I 0.18 C 0.13 K 0.07 L 0.04 D 0.01 C Shift Assignments>> C :: 176.6480 CA :: 59.8440 CB :: 40.8150 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.0300 HA :: 2.1830(S) HB2 :: 3.3050 HB3 :: 2.4620 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.1760 Ave N Shift Values>> N :: 120.17(4.64) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 178.5120 CA :: 65.0170 CB :: 37.7290 CG1 :: 28.4070 CG2 :: 16.9030 CD1 :: 13.1290 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 :: 8.5650 HA :: 3.4760 HB :: 1.8320 HG12 :: 1.6420 HG13 :: 1.1090 HG21 :: 0.9080 HG22 :: 0.9080 HG23 :: 0.9080 HD11 :: 0.7910 HD12 :: 0.7910 HD13 :: 0.7910 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 :: 125.7450 Ave N Shift Values>> N :: 121.46(4.28) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.12 D 0.11 L 0.1 I 0.06 N 0.03 K 0.02 HN Overlap>> 1.Q55 1.Q55 C Shift Assignments>> C :: 178.5340 CA :: 57.2310 CB :: 40.0440 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 :: 8.6520 HA :: 4.3050 HB2 :: 2.6680 HB3 :: 2.5270 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.2920 Ave N Shift Values>> N :: 120.65(3.86) 1.F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.32 C 0.24 C Shift Assignments>> C :: 177.2550 CA :: 60.6680 CB :: 40.1810 CD1 :: 132.0700 CD2 :: 129.9100 CE1 :: 130.4100 CE2 :: 130.4100 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 :: 7.5460 HA :: 4.2470 HB2 :: 3.0440 HB3 :: 3.0440 HD1 :: 7.2960 HD2 :: 7.2960 HE1 :: 7.3810 HE2 :: 7.3810 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 :: 118.2980 Ave N Shift Values>> N :: 120.45(4.18) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 174.3710 CA :: 65.2980 CB :: 69.5730 CG2 :: 21.4810 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 :: 7.9400 HA :: 3.7210 HB :: 3.8990 HG21 :: 0.7680 HG22 :: 0.7680 HG23 :: 0.7680 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 :: 114.8170 Ave N Shift Values>> N :: 115.42(4.75) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 F 0.18 C Shift Assignments>> C :: 175.5890 CA :: 57.8520 CB :: 38.3940 CD1 :: 132.2300 CD2 :: 129.9600 CE1 :: 133.4200 CE2 :: 133.4200 CZ :: 131.3100 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 :: 7.6940 HA :: 4.6040 HB2 :: 3.3070 HB3 :: 2.8940 HD1 :: 7.3100 HD2 :: 7.3100 HE1 :: 6.9200 HE2 :: 6.9200 HZ :: 7.0560 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 :: 118.4590 Ave N Shift Values>> N :: 120.45(4.18) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9870 CA :: 58.6050 CB :: 64.1560 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4830 HA :: 4.4300 HB2 :: 3.8480 HB3 :: 3.8480 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 :: 115.1570 Ave N Shift Values>> N :: 116.28(3.52) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.13 F 0.11 Y 0.08 K 0.07 C 0.06 HN Overlap>> 1.K33 1.K33 C Shift Assignments>> C :: 176.2770 CA :: 54.4510 CB :: 40.8180 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 :: 8.2840 HA :: 4.5950 HB2 :: 2.6680 HB3 :: 2.5740 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.2300 Ave N Shift Values>> N :: 120.65(3.86) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 176.2140 CA :: 62.2940 CB :: 32.1600 CG1 :: 21.2460 CG2 :: 20.1900 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 :: 7.8850 HA :: 4.0780 HB :: 2.0670 HG11 :: 0.8430 HG12 :: 0.8430 HG13 :: 0.8430 HG21 :: 0.7910 HG22 :: 0.7910 HG23 :: 0.7910 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.8240 Ave N Shift Values>> N :: 121.14(4.54) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 175.6870 CA :: 61.4370 CB :: 38.6700 CG1 :: 27.1160 CG2 :: 17.3730 CD1 :: 13.3810 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 :: 7.7610 HA :: 4.0500 HB :: 1.7470 HG12 :: 1.2670 HG13 :: 1.0890 HG21 :: 0.7900 HG22 :: 0.7900 HG23 :: 0.7900 HD11 :: 0.7330 HD12 :: 0.7330 HD13 :: 0.7330 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 :: 121.4100 Ave N Shift Values>> N :: 121.46(4.28) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.16 C 0.09 Y 0.07 F 0.07 L 0.04 C Shift Assignments>> C :: 174.7480 CA :: 53.2210 CB :: 38.6830 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 :: 8.2370 HA :: 4.6980 HB2 :: 2.7620 HB3 :: 2.6870 HD21 :: 7.6120 HD22 :: 6.9350 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.3600 ND2 :: 113.6510 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 175.6210 CA :: 61.6640 CB :: 38.8580 CG1 :: 27.3800 CG2 :: 17.4300 CD1 :: 13.0600 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.8330 HA :: 4.0900 HB :: 1.8000 HG12 :: 1.3570 HG13 :: 0.9840 HG21 :: 0.7280 HG22 :: 0.7280 HG23 :: 0.7280 HD11 :: 0.6400 HD12 :: 0.6400 HD13 :: 0.6400 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.7080 Ave N Shift Values>> N :: 121.46(4.28) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.29 L 0.09 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 173.5820 CA :: 52.8020 CB :: 39.8420 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 :: 8.6380 HA :: 4.9240 HB2 :: 2.7620 HB3 :: 2.5370 HD21 :: 7.7900 HD22 :: 7.0910 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 :: 123.6290 ND2 :: 114.0920 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 HN Overlap>> 1.H3 1.H3 C Shift Assignments>> C :: 175.2820 CA :: 60.9170 CB :: 40.9460 CG1 :: 27.7100 CG2 :: 18.7400 CD1 :: 13.8600 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 :: 8.5040 HA :: 4.7120 HB :: 1.7580 HG12 :: 1.5790 HG13 :: 1.0510 HG21 :: 0.8900 HG22 :: 0.8900 HG23 :: 0.8900 HD11 :: 0.9320 HD12 :: 0.9320 HD13 :: 0.9320 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 :: 123.0440 Ave N Shift Values>> N :: 121.46(4.28) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.47 G 0.01 C Shift Assignments>> C :: 173.0160 CA :: 55.6680 CB :: 41.7070 CD1 :: 133.6000 CD2 :: 133.6000 CE1 :: 120.1900 CE2 :: 120.1900 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 :: 9.3900 HA :: 5.0030 HB2 :: 2.8200 HB3 :: 2.7220 HD1 :: 7.1540 HD2 :: 7.1540 HE1 :: 6.9440 HE2 :: 6.9440 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 :: 128.1950 Ave N Shift Values>> N :: 120.52(4.2) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 N 0.38 C 0.1 D 0.07 L 0.01 F 0.01 C Shift Assignments>> C :: 173.5460 CA :: 48.3910 CB :: 39.1620 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 :: 9.1400 HA :: 5.3100 HB2 :: 3.1300 HB3 :: 2.8900 HD21 :: 7.6890 HD22 :: 6.9230 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 :: 127.3680 ND2 :: 113.6510 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.38 P 0.35 C 0.17 W 0.03 K 0.01 R 0.01 I 0.01 C Shift Assignments>> C :: 175.8500 CA :: 62.6600 CB :: 32.1800 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 :: 4.2510 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.C92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.22 N 0.12 K 0.09 F 0.07 Y 0.05 C 0.05 R 0.01 C Shift Assignments>> C :: 174.6390 CA :: 53.6200 CB :: 41.2500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1900 HA :: 4.7530 HB2 :: 3.2820 HB3 :: 2.9980 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.5400 Ave N Shift Values>> N :: 120.17(4.64) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.27 C Shift Assignments>> C :: 174.6810 CA :: 59.5120 CB :: 35.2820 CG1 :: 21.2400 CG2 :: 19.3100 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 :: 7.2080 HA :: 4.5500 HB :: 2.1330 HG11 :: 0.8790 HG12 :: 0.8790 HG13 :: 0.8790 HG21 :: 0.8350 HG22 :: 0.8350 HG23 :: 0.8350 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 :: 115.4650 Ave N Shift Values>> N :: 121.14(4.54) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.25 V 0.16 K 0.14 M 0.08 W 0.08 R 0.07 Q 0.07 H 0.05 E 0.04 C Shift Assignments>> CA :: 59.5000 CB :: 32.7200 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>> HA :: 4.55900 HB :: 2.1330 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) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.48 C 0.41 P 0.05 K 0.02 C Shift Assignments>> C :: 175.5350 CA :: 63.7500 CB :: 32.9700 CG :: 24.1500 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 :: 4.8280 HB2 :: 2.4470 HB3 :: 2.1130 HG2 :: 2.0270 HG3 :: 1.7220 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.N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.25 L 0.07 C 0.07 F 0.07 Y 0.06 C Shift Assignments>> C :: 174.0410 CA :: 52.9600 CB :: 39.4590 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 :: 8.6370 HA :: 5.0900 HB2 :: 2.9880 HB3 :: 2.7260 HD21 :: 7.7930 HD22 :: 7.0950 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.1300 ND2 :: 113.4130 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 177.3770 CA :: 61.9140 CB :: 37.4790 CG1 :: 28.5500 CG2 :: 16.7200 CD1 :: 12.6300 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 :: 7.6040 HA :: 3.8500 HB :: 1.6900 HG12 :: 1.3440 HG13 :: 0.7440 HG21 :: 0.8100 HG22 :: 0.8100 HG23 :: 0.8100 HD11 :: 0.7500 HD12 :: 0.7500 HD13 :: 0.7500 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.6010 Ave N Shift Values>> N :: 121.46(4.28) 1.N98 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 175.0820 CA :: 53.4610 CB :: 53.4610(S) 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 :: 8.9270 HA :: 4.8030 HB2 :: 3.1900 HB3 :: 2.7810 HD21 :: 6.5730 HD22 :: 5.2110(S) 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 :: 126.5610 ND2 :: 112.5040 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.59 A 0.3 I 0.06 C 0.03 C Shift Assignments>> C :: 181.5170 CA :: 55.7180 CB :: 18.1840 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.2120 HB1 :: 1.5620 HB2 :: 1.5620 HB3 :: 1.5620 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.36 I 0.09 M 0.05 K 0.02 Q 0.01 HN Overlap>> 1.S30 1.S30 C Shift Assignments>> C :: 178.8380 CA :: 59.4600 CB :: 30.5900 CG :: 36.5600 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 :: 8.2760 HA :: 4.301 HB2 :: 2.2830 HB3 :: 2.0760 HG2 :: 2.4390 HG3 :: 2.2670 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 :: 119.0760 Ave N Shift Values>> N :: 120.67(3.48) 1.C102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 I 0.19 C 0.14 L 0.03 K 0.02 D 0.01 C Shift Assignments>> C :: 175.6960 CA :: 59.6400 CB :: 40.3000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8000 HA :: 4.2730 HB2 :: 3.2700 HB3 :: 2.9130 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.8200 Ave N Shift Values>> N :: 120.17(4.64) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 K 0.21 R 0.07 E 0.06 I 0.03 M 0.01 C Shift Assignments>> C :: 179.2570 CA :: 59.0510 CB :: 28.0290 CG :: 33.9800 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 :: 8.5960 HA :: 3.9490 HB2 :: 2.2210 HB3 :: 2.1760 HG2 :: 2.5260 HG3 :: 2.4740 HE21 :: 7.9640 HE22 :: 6.8340 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.1600 NE2 :: 116.4310 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.31 C 0.23 C Shift Assignments>> C :: 178.2470 CA :: 61.2190 CB :: 38.5740 CD1 :: 131.5400 CD2 :: 130.8500 CE1 :: 131.2400 CE2 :: 131.2400 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 :: 8.0390 HA :: 4.3620 HB2 :: 3.3550 HB3 :: 3.1450 HD1 :: 7.3620 HD2 :: 7.3620 HE1 :: 7.0220 HE2 :: 7.0220 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 :: 119.9090 Ave N Shift Values>> N :: 120.45(4.18) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.35 A 0.02 C Shift Assignments>> C :: 177.6070 CA :: 57.9900 CB :: 40.7900 CG :: 26.6400 CD1 :: 26.1500 CD2 :: 21.2600 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 :: 8.3800 HA :: 3.5540 HB2 :: 2.1350 HB3 :: 1.6190 HG :: 1.2060 HD11 :: 0.6510 HD12 :: 0.6510 HD13 :: 0.6510 HD21 :: 0.1730 HD22 :: 0.1730 HD23 :: 0.1730 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.4500 Ave N Shift Values>> N :: 121.86(3.9) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.38 R 0.16 C Shift Assignments>> C :: 178.8360 CA :: 59.2120 CB :: 33.9700 CG :: 25.7300 CD :: 29.3000 CE :: 42.2200 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 :: 8.1220 HA :: 3.7110 HB2 :: 1.7850 HB3 :: 1.7850 HG2 :: 1.4020 HG3 :: 1.4020 HD2 :: 1.6730 HD3 :: 1.6210 HE2 :: 2.9480 HE3 :: 2.9480 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 :: 113.2570 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2950 CA :: 60.4140 CB :: 63.6080 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7620 HA :: 4.3320 HB2 :: 3.9840 HB3 :: 3.9840 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 :: 113.8270 Ave N Shift Values>> N :: 116.28(3.52) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.27 C Shift Assignments>> C :: 175.9890 CA :: 62.1000 CB :: 32.4400 CG1 :: 18.1800 CG2 :: 21.3800 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 :: 7.1890 HA :: 4.4450 HB :: 2.2070 HG11 :: 0.8440 HG12 :: 0.8440 HG13 :: 0.8440 HG21 :: 0.5790 HG22 :: 0.5790 HG23 :: 0.5790 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 :: 115.2300 Ave N Shift Values>> N :: 121.14(4.54) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.35 A 0.11 G 0.07 R 0.07 C Shift Assignments>> C :: 181.9560 CA :: 56.0110 CB :: 43.0790 CG :: 25.6200 CD1 :: 26.1400 CD2 :: 21.4700 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 :: 6.6840 HA :: 4.0510 HB2 :: 1.5110 HB3 :: 1.3250 HG :: 1.7650 HD11 :: 0.5330 HD12 :: 0.5330 HD13 :: 0.5330 HD21 :: 0.4110 HD22 :: 0.4110 HD23 :: 0.4110 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.9490 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 105 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 109 #Suspicious: 0 C Shift Results: #Consistent: 470 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 727 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 116 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S50 HB2 = 3.0430(S), Expected = 3.88, Std = 0.2500, ChiSquare = 8.1397e-04 1.S50 HB3 = 2.3720(S), Expected = 3.85, Std = 0.2700, ChiSquare = 4.3981e-08 1.R67 HG3 = 0.3120(S), Expected = 1.54, Std = 0.2900, ChiSquare = 2.2908e-05 1.C75 HA = 2.1830(S), Expected = 4.66, Std = 0.5500, ChiSquare = 6.6800e-06 1.N98 Typing: Mistyped 1.N98 CB = 53.4610(S), Expected = 38.69, Std = 1.6900, ChiSquare = 2.3262e-18 1.N98 HD22 = 5.2110(S), Expected = 7.14, Std = 0.4900, ChiSquare = 8.2598e-05