Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.22 C 0.08 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> C :: 174.9300 CA :: 53.2090 CB :: 39.2130 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.7660 HB2 :: 2.8140 HB3 :: 2.8140 HD21 :: 6.9530 HD22 :: 7.6240 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>> ND2 :: 113.1300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 HN Overlap>> 1.R31 1.R31 C Shift Assignments>> C :: 177.7900 CA :: 52.8370 CB :: 19.2400 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 :: 4.2640 HB1 :: 1.3910 HB2 :: 1.3910 HB3 :: 1.3910 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.6430 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 0.46 C 0.4 R 0.12 C Shift Assignments>> C :: 176.2300 CA :: 56.5340 CB :: 32.8110 CG :: 24.7400 CD :: 29.1000 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 :: 8.3000 HA :: 4.2230 HB2 :: 1.7030 HB3 :: 1.7030 HG2 :: 1.4160 HG3 :: 1.4160 HD2 :: 1.6680 HD3 :: 1.6680 HE2 :: 2.9790 HE3 :: 2.9790 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.2030 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.17 C 0.09 Y 0.07 F 0.07 L 0.04 C Shift Assignments>> C :: 175.0330 CA :: 53.1250 CB :: 38.7770 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 :: 8.3200 HA :: 4.6680 HB2 :: 2.7640 HB3 :: 2.7640 HD21 :: 6.9010 HD22 :: 7.5930 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 :: 119.2290 ND2 :: 112.6650 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 175.5540 CA :: 58.2130 CB :: 38.6010 CD1 :: 133.2800 CD2 :: 133.2800 CE1 :: 118.4000 CE2 :: 118.4000 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 :: 8.0870 HA :: 4.5100 HB2 :: 2.9840 HB3 :: 3.0330 HD1 :: 7.1130 HD2 :: 7.1130 HE1 :: 6.8360 HE2 :: 6.8360 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 :: 120.5930 Ave N Shift Values>> N :: 120.52(4.2) 1.M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.38 Q 0.1 HN Overlap>> 1.K39 1.K39 C Shift Assignments>> C :: 175.6090 CA :: 55.4940 CB :: 32.9700 CG :: 32.8000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.1210 HA :: 4.3910 HB2 :: 2.0130 HB3 :: 2.0130 HG2 :: 1.9170 HG3 :: 1.9170 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 :: 121.4770 Ave N Shift Values>> N :: 120.09(3.57) 1.D8 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 0.07 C 0.05 R 0.02 HN Overlap>> 1.W37 1.W37 C Shift Assignments>> C :: 176.3440 CA :: 54.4710 CB :: 41.3220 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 :: 8.1890 HA :: 4.5550 HB2 :: 2.7010 HB3 :: 2.7010 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 :: 121.7040 Ave N Shift Values>> N :: 120.65(3.86) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.41 R 0.11 C Shift Assignments>> C :: 177.2670 CA :: 56.6220 CB :: 32.7650 CG :: 24.6680 CD :: 29.0860 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 :: 8.3350 HA :: 4.3070 HB2 :: 1.8590 HB3 :: 1.8590 HG2 :: 1.4150 HG3 :: 1.4150 HD2 :: 1.6670 HD3 :: 1.6670 HE2 :: 2.9840 HE3 :: 2.9840 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.1680 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.5680 CA :: 45.5830 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4970 HA2 :: 4.0000 HA3 :: 4.0000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.5050 Ave N Shift Values>> N :: 109.67(3.87) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.T30 1.T30 C Shift Assignments>> C :: 174.7190 CA :: 61.7790 CB :: 69.9630 CG2 :: 21.3000 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 :: 8.0810 HA :: 4.3960 HB :: 4.2720 HG21 :: 1.2050 HG22 :: 1.2050 HG23 :: 1.2050 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.3120 Ave N Shift Values>> N :: 115.42(4.75) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.H94 1.H94 C Shift Assignments>> C :: 174.7660 CA :: 58.4320 CB :: 63.9860 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4130 HA :: 4.4990 HB2 :: 3.9080 HB3 :: 3.9080 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.2720 Ave N Shift Values>> N :: 116.28(3.52) 1.S13 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 :: 58.6070 CB :: 63.8690 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4140 HA :: 4.5180 HB2 :: 3.8990 HB3 :: 3.8990 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.1060 Ave N Shift Values>> N :: 116.28(3.52) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y99 1.Y99 C Shift Assignments>> C :: 174.7430 CA :: 58.6300 CB :: 63.7980 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3790 HA :: 4.5350 HB2 :: 3.9070 HB3 :: 3.9070 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.7240 Ave N Shift Values>> N :: 116.28(3.52) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.3100 CA :: 62.1610 CB :: 69.6030 CG2 :: 21.5400 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 :: 8.1950 HA :: 4.3360 HB :: 4.1860 HG21 :: 1.1770 HG22 :: 1.1770 HG23 :: 1.1770 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 :: 116.5490 Ave N Shift Values>> N :: 115.42(4.75) 1.V16 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 :: 175.9340 CA :: 62.5120 CB :: 32.7380 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 :: 8.1210 HA :: 4.1020 HB :: 2.0190 HG11 :: 0.9100 HG12 :: 0.9100 HG13 :: 0.9100 HG21 :: 0.9100 HG22 :: 0.9100 HG23 :: 0.9100 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 :: 123.4060 Ave N Shift Values>> N :: 121.14(4.54) 1.V17 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 :: 176.1020 CA :: 62.2790 CB :: 32.6770 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 :: 8.2930 HA :: 4.0850 HB :: 2.0090 HG11 :: 0.9130 HG12 :: 0.9130 HG13 :: 0.9130 HG21 :: 0.9130 HG22 :: 0.9130 HG23 :: 0.9130 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 :: 125.4450 Ave N Shift Values>> N :: 121.14(4.54) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.39 R 0.1 C Shift Assignments>> C :: 176.1380 CA :: 56.2050 CB :: 33.1460 CG :: 24.6900 CD :: 29.1600 CE :: 42.1300 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 :: 8.4780 HA :: 4.3420 HB2 :: 1.7800 HB3 :: 1.7800 HG2 :: 1.3990 HG3 :: 1.3990 HD2 :: 1.6620 HD3 :: 1.6620 HE2 :: 2.9820 HE3 :: 2.9820 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 :: 126.2810 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.11 F 0.09 N 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.6980 CA :: 54.3850 CB :: 41.2230 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 :: 8.3790 HA :: 4.5640 HB2 :: 2.7040 HB3 :: 2.7040 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 :: 121.9040 Ave N Shift Values>> N :: 120.65(3.86) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.03 C Shift Assignments>> C :: 174.3740 CA :: 45.6380 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3900 HA2 :: 3.9440 HA3 :: 3.9440 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.1770 Ave N Shift Values>> N :: 109.67(3.87) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.41 R 0.1 C Shift Assignments>> C :: 177.0410 CA :: 56.5760 CB :: 33.0900 CG :: 24.7900 CD :: 29.1270 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 :: 8.2290 HA :: 4.3890 HB2 :: 1.8500 HB3 :: 1.8500 HG2 :: 1.4120 HG3 :: 1.4120 HD2 :: 1.6630 HD3 :: 1.6630 HE2 :: 2.9830 HE3 :: 2.9830 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.8140 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.S26 1.S26 C Shift Assignments>> C :: 174.6070 CA :: 61.8800 CB :: 69.7360 CG2 :: 21.5500 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 :: 8.2370 HA :: 4.3930 HB :: 4.2680 HG21 :: 1.1950 HG22 :: 1.1950 HG23 :: 1.1950 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.1050 Ave N Shift Values>> N :: 115.42(4.75) 1.S23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.2990 CA :: 58.5470 CB :: 63.7870 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.4860 HB2 :: 3.8850 HB3 :: 3.8850 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.A25 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 :: 177.6600 CA :: 52.6290 CB :: 19.2910 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3280 HA :: 4.3760 HB1 :: 1.4080 HB2 :: 1.4080 HB3 :: 1.4080 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8910 Ave N Shift Values>> N :: 123.23(3.54) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T22 1.T22 C Shift Assignments>> C :: 174.2910 CA :: 58.2370 CB :: 63.9170 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2670 HA :: 4.4860 HB2 :: 3.8580 HB3 :: 3.8580 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 :: 115.1550 Ave N Shift Values>> N :: 116.28(3.52) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 172.7820 CA :: 59.7480 CB :: 69.7020 CG2 :: 21.3900 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1640 HA :: 4.6270 HB :: 4.1640 HG21 :: 1.2360 HG22 :: 1.2360 HG23 :: 1.2360 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.3240 Ave N Shift Values>> N :: 115.42(4.75) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.6300 CA :: 63.2500 CB :: 32.1650 CG :: 27.5100 CD :: 51.1600 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 :: 4.4030 HB2 :: 2.3150 HB3 :: 1.9230 HG2 :: 2.0350 HG3 :: 2.0350 HD2 :: 3.7040 HD3 :: 3.8560 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.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> C :: 177.9740 CA :: 52.6550 CB :: 19.2770 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4320 HA :: 4.3490 HB1 :: 1.4090 HB2 :: 1.4090 HB3 :: 1.4090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.2630 Ave N Shift Values>> N :: 123.23(3.54) 1.T30 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.T11 1.T11 C Shift Assignments>> C :: 174.2570 CA :: 61.6560 CB :: 69.8010 CG2 :: 21.4600 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 :: 8.1060 HA :: 4.2810 HB :: 4.1610 HG21 :: 1.1810 HG22 :: 1.1810 HG23 :: 1.1810 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.3680 Ave N Shift Values>> N :: 115.42(4.75) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 C 0.29 G 0.11 K 0.02 HN Overlap>> 1.A3 1.A3 C Shift Assignments>> C :: 174.0940 CA :: 54.0510 CB :: 30.3740 CG :: 26.8800 CD :: 43.4700 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 :: 8.3180 HA :: 4.6500 HB2 :: 1.7400 HB3 :: 1.8450 HG2 :: 1.6760 HG3 :: 1.6760 HD2 :: 3.2070 HD3 :: 3.2070 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 :: 124.7000 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.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 177.0650 CA :: 63.0600 CB :: 32.1570 CG :: 27.5600 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 :: 4.4990 HB2 :: 2.3040 HB3 :: 1.9110 HG2 :: 2.0340 HG3 :: 2.0340 HD2 :: 3.7030 HD3 :: 3.8560 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.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 176.6680 CA :: 62.6080 CB :: 32.7470 CG1 :: 21.2600 CG2 :: 20.5980 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 :: 8.4470 HA :: 4.2080 HB :: 2.1410 HG11 :: 0.9910 HG12 :: 0.9910 HG13 :: 0.9910 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 :: 120.8900 Ave N Shift Values>> N :: 121.14(4.54) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.7910 CA :: 61.7000 CB :: 69.6970 CG2 :: 21.2500 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 :: 8.2210 HA :: 4.3770 HB :: 4.2780 HG21 :: 1.1930 HG22 :: 1.1930 HG23 :: 1.1930 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 :: 116.7090 Ave N Shift Values>> N :: 115.42(4.75) 1.G35 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 :: 173.9400 CA :: 45.6560 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3760 HA2 :: 3.9960 HA3 :: 3.9960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1820 Ave N Shift Values>> N :: 109.67(3.87) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.8800 CA :: 58.2550 CB :: 64.1950 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4560 HA :: 4.4560 HB2 :: 3.8290 HB3 :: 3.8290 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 :: 116.7790 Ave N Shift Values>> N :: 116.28(3.52) 1.W37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 HN Overlap>> 1.D8 1.D8 C Shift Assignments>> C :: 176.5000 CA :: 58.0900 CB :: 31.0070 CD1 :: 127.5200 CE3 :: 119.6700 CZ2 :: 114.0000 CZ3 :: 121.3500 CH2 :: 124.6000 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 :: 8.1710 HA :: 4.5280 HB2 :: 3.1430 HB3 :: 3.3410 HD1 :: 7.4180 HE1 :: 10.2370 HE3 :: 7.3920 HZ2 :: 7.3440 HZ3 :: 6.8710 HH2 :: 6.7970 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 :: 121.7440 NE1 :: 128.7800 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.3 K 0.23 G 0.01 HN Overlap>> 1.R106 1.R106 C Shift Assignments>> C :: 172.8390 CA :: 55.1560 CB :: 36.6560 CG :: 25.5320 CD :: 29.3770 CE :: 42.2370 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 :: 8.7360 HA :: 4.6260 HB2 :: 0.9850 HB3 :: 1.5770 HG2 :: 1.3270 HG3 :: 1.3270 HD2 :: 1.6670 HD3 :: 1.6670 HE2 :: 2.9830 HE3 :: 2.9830 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 :: 123.1580 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.5 C 0.4 R 0.04 A 0.04 HN Overlap>> 1.M7 1.M7 C Shift Assignments>> C :: 177.5100 CA :: 54.3160 CB :: 33.3570 CG :: 23.3400 CD :: 29.0000 CE :: 41.4900 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 :: 8.1230 HA :: 4.7400 HB2 :: -0.5590(S) HB3 :: 0.8070(S) HG2 :: -0.0760(S) HG3 :: 0.8790 HD2 :: 1.0940 HD3 :: 1.2550 HE2 :: 2.6250 HE3 :: 2.7260 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 :: 121.5260 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.17 C 0.08 L 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 177.5240 CA :: 50.8400 CB :: 39.1560 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 :: 8.5830 HA :: 5.0560 HB2 :: 2.9200 HB3 :: 3.5790 HD21 :: 7.5550 HD22 :: 7.8420 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 :: 123.9880 ND2 :: 112.3200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.25 R 0.22 Q 0.16 M 0.04 C Shift Assignments>> C :: 175.8290 CA :: 57.7610 CB :: 27.9470 CG :: 32.3870 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 :: 8.8560 HA :: 4.0600 HB2 :: 1.8750 HB3 :: 1.7500 HG2 :: 1.4950 HG3 :: 1.4950 HE21 :: 6.8390 HE22 :: 7.2810 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.5290 NE2 :: 112.7200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.37 C Shift Assignments>> C :: 175.7820 CA :: 57.1200 CB :: 38.1180 CD1 :: 132.8400 CD2 :: 132.8400 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 :: 7.6040 HA :: 4.6510 HB2 :: 2.8460 HB3 :: 3.4850 HD1 :: 7.0050 HD2 :: 7.0050 HE1 :: 6.7540 HE2 :: 6.7540 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.2550 Ave N Shift Values>> N :: 120.52(4.2) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.2970 CA :: 45.1630 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9930 HA2 :: 4.3730 HA3 :: 3.3360 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.3540 Ave N Shift Values>> N :: 109.67(3.87) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 C 0.35 C Shift Assignments>> C :: 173.9690 CA :: 62.1320 CB :: 68.9890 CG2 :: 23.5980 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 :: 7.7810 HA :: 4.1760 HB :: 4.0790 HG21 :: 1.0680 HG22 :: 1.0680 HG23 :: 1.0680 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.0620 Ave N Shift Values>> N :: 115.42(4.75) 1.W45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 175.9990 CA :: 56.6060 CB :: 30.6410 CD1 :: 126.9100 CE3 :: 119.6000 CZ2 :: 114.8500 CZ3 :: 121.6400 CH2 :: 124.7200 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 :: 8.0410 HA :: 5.6760 HB2 :: 3.0820 HB3 :: 2.9130 HD1 :: 7.4370 HE1 :: 10.2430 HE3 :: 7.3040 HZ2 :: 7.4330 HZ3 :: 6.8790 HH2 :: 7.1480 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 :: 129.6660 NE1 :: 129.0900 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 Y 0.28 C 0.18 C Shift Assignments>> C :: 173.6630 CA :: 56.3070 CB :: 44.1250 CD1 :: 133.9000 CD2 :: 133.9000 CE1 :: 117.5900 CE2 :: 117.5900 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 :: 10.3290 HA :: 6.3380 HB2 :: 2.8700 HB3 :: 3.2440 HD1 :: 7.0440 HD2 :: 7.0440 HE1 :: 6.5690 HE2 :: 6.5690 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 :: 122.9380 Ave N Shift Values>> N :: 120.52(4.2) 1.K47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 K 0.25 A 0.2 R 0.04 HN Overlap>> 1.Y108 1.Y108 C Shift Assignments>> C :: 172.4620 CA :: 53.7120 CB :: 34.1180 CG :: 22.4900 CD :: 28.8600 CE :: 41.6200 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 :: 8.9230 HA :: 4.7710 HB2 :: 0.7860(S) HB3 :: 0.8750 HG2 :: 0.3190(S) HG3 :: 0.5460 HD2 :: -0.0170(S) HD3 :: 0.6700(S) HE2 :: 2.1340(S) HE3 :: 2.1340(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.9860 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 176.7470 CA :: 62.6650 CB :: 32.0390 CG :: 27.8300 CD :: 50.8800 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 :: 4.8020 HB2 :: 2.4000 HB3 :: 1.9660 HG2 :: 2.1330 HG3 :: 2.1330 HD2 :: 3.8210 HD3 :: 3.6030 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.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 E 0.13 M 0.1 C Shift Assignments>> C :: 170.9270 CA :: 57.8700 CB :: 33.2300 CG :: 37.4600 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 :: 7.7710 HA :: 3.9880 HB2 :: 1.9550 HB3 :: 1.9550 HG2 :: 1.8250 HG3 :: 2.0490 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 :: 125.2850 Ave N Shift Values>> N :: 120.67(3.48) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.25 C 0.06 L 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 173.6480 CA :: 51.6860 CB :: 39.6460 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 :: 8.1480 HA :: 5.3980 HB2 :: 2.6260 HB3 :: 2.6260 HD21 :: 6.8860 HD22 :: 7.6590 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 :: 122.3280 ND2 :: 112.6100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.04 C 0.01 C Shift Assignments>> C :: 172.8720 CA :: 51.5970 CB :: 19.6700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.0850 HA :: 4.4530 HB1 :: 1.4410 HB2 :: 1.4410 HB3 :: 1.4410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.5270 Ave N Shift Values>> N :: 123.23(3.54) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 172.8520 CA :: 62.2320 CB :: 71.0680 CG2 :: 21.8700 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 :: 8.0360 HA :: 5.1670 HB :: 3.8220 HG21 :: 1.0110 HG22 :: 1.0110 HG23 :: 1.0110 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 :: 112.8310 Ave N Shift Values>> N :: 115.42(4.75) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 G 0.38 Y 0.11 F 0.02 C Shift Assignments>> C :: 172.9280 CA :: 55.2750 CB :: 43.2050 CD1 :: 130.5200 CD2 :: 130.5200 CZ :: 124.5600 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 :: 9.7140 HA :: 5.3230 HB2 :: 2.9900 HB3 :: 2.7820 HD1 :: 7.0940 HD2 :: 7.0940 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 :: 127.8830 Ave N Shift Values>> N :: 120.45(4.18) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 175.8420 CA :: 60.1520 CB :: 31.7380 CG1 :: 20.0300 CG2 :: 20.0300 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 :: 8.5830 HA :: 4.3200 HB :: 1.6300 HG11 :: 0.5880 HG12 :: 0.5880 HG13 :: 0.5880 HG21 :: 0.6930 HG22 :: 0.6930 HG23 :: 0.6930 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 :: 127.2840 Ave N Shift Values>> N :: 121.14(4.54) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.16 C 0.1 Y 0.08 F 0.08 L 0.04 M 0.01 E 0.01 C Shift Assignments>> C :: 176.3330 CA :: 53.5890 CB :: 38.6450 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 :: 8.9700 HA :: 4.1600 HB2 :: 2.6120 HB3 :: 2.8900 HD21 :: 6.6490 HD22 :: 6.7460 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 :: 125.7230 ND2 :: 108.4150 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.8820 CA :: 44.6760 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3600 HA2 :: 3.7860 HA3 :: 4.2000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.3890 Ave N Shift Values>> N :: 109.67(3.87) 1.N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.15 Y 0.12 C 0.11 F 0.11 L 0.05 E 0.01 M 0.01 C Shift Assignments>> C :: 174.7410 CA :: 54.2130 CB :: 38.6290 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 :: 8.1490 HA :: 4.5110 HB2 :: 2.8320 HB3 :: 2.8320 HD21 :: 6.8660 HD22 :: 7.5570 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 :: 115.5110 ND2 :: 111.9600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 Q 0.27 C 0.26 K 0.12 E 0.01 C Shift Assignments>> C :: 172.6030 CA :: 52.6330 CB :: 30.5680 CG :: 33.2000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7020 HA :: 4.9600 HB2 :: 1.8110 HB3 :: 1.9980 HG2 :: 2.2270 HG3 :: 2.2270 HE21 :: 6.8250 HE22 :: 7.3620 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 :: 118.1280 NE2 :: 112.6500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 176.5060 CA :: 62.2560 CB :: 32.6600 CG :: 27.3600 CD :: 50.9200 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 :: 4.9400 HB2 :: 1.7030 HB3 :: 2.2230 HG2 :: 2.0240 HG3 :: 2.0240 HD2 :: 3.7120 HD3 :: 3.7710 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.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 I 0.19 G 0.06 C Shift Assignments>> C :: 175.1900 CA :: 60.6870 CB :: 42.7450 CG1 :: 27.9100 CG2 :: 19.9400 CD1 :: 14.6700 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 :: 8.1260 HA :: 4.2740 HB :: 1.5760 HG12 :: 0.9720 HG13 :: 1.8630 HG21 :: 1.2100 HG22 :: 1.2100 HG23 :: 1.2100 HD11 :: 1.2290 HD12 :: 1.2290 HD13 :: 1.2290 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 :: 120.9740 Ave N Shift Values>> N :: 121.46(4.28) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 175.9730 CA :: 64.2760 CB :: 31.9300 CG1 :: 21.7200 CG2 :: 21.7200 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 :: 8.4210 HA :: 4.1130 HB :: 2.0220 HG11 :: 1.0230 HG12 :: 1.0230 HG13 :: 1.0230 HG21 :: 1.1000 HG22 :: 1.1000 HG23 :: 1.1000 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.2240 Ave N Shift Values>> N :: 121.14(4.54) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 174.9360 CA :: 61.2860 CB :: 71.1330 CG2 :: 22.0500 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 :: 7.9890 HA :: 5.0210 HB :: 4.2850 HG21 :: 1.3680 HG22 :: 1.3680 HG23 :: 1.3680 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.4540 Ave N Shift Values>> N :: 115.42(4.75) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.31 G 0.2 K 0.1 HN Overlap>> 1.C89 1.C89 C Shift Assignments>> C :: 175.6070 CA :: 52.6470 CB :: 33.6030 CG :: 26.4600 CD :: 43.2800 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 :: 9.3360 HA :: 5.4290 HB2 :: 2.0600 HB3 :: 2.0600 HG2 :: 1.8120 HG3 :: 2.3850 HD2 :: 3.1720 HD3 :: 3.2780 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.2250 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.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.N76 1.N76 C Shift Assignments>> C :: 179.2060 CA :: 60.1890 CB :: 38.2480 CG1 :: 27.2600 CG2 :: 17.1800 CD1 :: 12.1700 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 :: 8.7410 HA :: 4.4650 HB :: 1.6950 HG12 :: 1.0170 HG13 :: 1.4220 HG21 :: 0.8590 HG22 :: 0.8590 HG23 :: 0.8590 HD11 :: 0.7860 HD12 :: 0.7860 HD13 :: 0.7860 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 :: 119.7460 Ave N Shift Values>> N :: 121.46(4.28) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.09 P 0.06 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 174.1850 CA :: 47.6710 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.3160 HA2 :: 3.5840 HA3 :: 4.3650 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.0590 Ave N Shift Values>> N :: 109.67(3.87) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.2810 CA :: 56.2070 CB :: 63.7370 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4120 HA :: 4.1600 HB2 :: 3.4010 HB3 :: 3.5720 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.8400 Ave N Shift Values>> N :: 116.28(3.52) 1.P67 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Suspicious H Shifts: Anomalous N Shifts: Indeterminable PRTL>> C 0.97 G 0.01 C Shift Assignments>> C :: 170.0300(S) CA :: 59.6700 CB :: 25.9100(S) CG :: 26.6900 CD :: 48.7800 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 :: 2.6390(S) HB2 :: -0.3520(A) HB3 :: -0.3520(S) HG2 :: 0.6410(S) HG3 :: 0.9710 HD2 :: 1.5140(S) HD3 :: 2.7380 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) SRO Rule Breaks>> (CB > CG : 0.9931) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.3 C 0.14 G 0.13 C Shift Assignments>> C :: 177.0550 CA :: 55.6280 CB :: 43.3580 CD1 :: 131.6600 CD2 :: 131.6600 CE1 :: 129.0900 CE2 :: 129.0900 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 :: 6.6100 HA :: 4.4930 HB2 :: 2.3650 HB3 :: 3.1410 HD1 :: 7.0060 HD2 :: 7.0060 HE1 :: 6.9750 HE2 :: 6.9750 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 :: 111.7780 Ave N Shift Values>> N :: 120.45(4.18) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.42 A 0.03 R 0.02 C Shift Assignments>> C :: 176.3260 CA :: 56.2310 CB :: 40.8700 CG :: 27.7500 CD1 :: 25.8800 CD2 :: 22.4400 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 :: 8.3880 HA :: 4.3130 HB2 :: 1.7770 HB3 :: 1.8770 HG :: 1.8960 HD11 :: 1.1720 HD12 :: 1.1720 HD13 :: 1.1720 HD21 :: 0.8630 HD22 :: 0.8630 HD23 :: 0.8630 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 :: 119.4910 Ave N Shift Values>> N :: 121.86(3.9) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 C 0.12 D 0.06 Y 0.03 F 0.03 M 0.02 E 0.01 L 0.01 C Shift Assignments>> C :: 175.6200 CA :: 51.6680 CB :: 37.6530 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 :: 7.6750 HA :: 4.8420 HB2 :: 2.7080 HB3 :: 3.0990 HD21 :: 6.6530 HD22 :: 7.5060 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 :: 112.2290 ND2 :: 111.1400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C Shift Assignments>> C :: 174.2740 CA :: 51.4700 CB :: 17.8430 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1520 HA :: 4.5590 HB1 :: 1.6370 HB2 :: 1.6370 HB3 :: 1.6370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.9550 Ave N Shift Values>> N :: 123.23(3.54) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.3420 CA :: 63.1190 CB :: 32.1560 CG :: 27.8000 CD :: 51.0500 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 :: 4.4130 HB2 :: 2.3900 HB3 :: 1.9630 HG2 :: 2.1140 HG3 :: 2.1140 HD2 :: 3.8230 HD3 :: 3.6010 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.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 177.8640 CA :: 63.2770 CB :: 32.7240 CG1 :: 21.6400 CG2 :: 21.6400 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 :: 8.3280 HA :: 4.2840 HB :: 2.1480 HG11 :: 1.0860 HG12 :: 1.0860 HG13 :: 1.0860 HG21 :: 1.0860 HG22 :: 1.0860 HG23 :: 1.0860 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 :: 121.0780 Ave N Shift Values>> N :: 121.14(4.54) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.9630 CA :: 44.7850 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7810 HA2 :: 3.4120 HA3 :: 4.3350 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.1180 Ave N Shift Values>> N :: 109.67(3.87) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.3 G 0.15 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.4600 CA :: 43.7480 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.2780 HA2 :: 3.8990 HA3 :: 4.3030 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3240 Ave N Shift Values>> N :: 109.67(3.87) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.21 C 0.07 L 0.05 F 0.05 Y 0.04 HN Overlap>> 1.I64 1.I64 C Shift Assignments>> C :: 175.7600 CA :: 52.2770 CB :: 39.2130 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 :: 8.7970 HA :: 5.4220 HB2 :: 2.2580 HB3 :: 2.6060 HD21 :: 6.7400 HD22 :: 7.3470 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 :: 119.6820 ND2 :: 111.1600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.2 R 0.15 G 0.14 C Shift Assignments>> C :: 174.3740 CA :: 52.2140 CB :: 43.0710 CG :: 27.0860 CD1 :: 24.8950 CD2 :: 27.0860 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 :: 10.0830 HA :: 4.8710 HB2 :: 1.3870 HB3 :: 2.0720 HG :: 1.6360 HD11 :: 0.9970 HD12 :: 0.9970 HD13 :: 0.9970 HD21 :: 1.1310 HD22 :: 1.1310 HD23 :: 1.1310 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 :: 129.5450 Ave N Shift Values>> N :: 121.86(3.9) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 177.5530 CA :: 62.5810 CB :: 32.7210 CG :: 27.4900 CD :: 51.4700 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 :: 4.3290 HB2 :: 2.3700 HB3 :: 1.8490 HG2 :: 1.9790 HG3 :: 2.0540 HD2 :: 4.3160 HD3 :: 3.5310 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.25 C 0.01 C Shift Assignments>> C :: 179.9840 CA :: 53.1780 CB :: 18.2460 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5850 HA :: 4.2600 HB1 :: 1.1580 HB2 :: 1.1580 HB3 :: 1.1580 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.2940 Ave N Shift Values>> N :: 123.23(3.54) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 173.4990 CA :: 45.9540 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0040 HA2 :: 3.8770 HA3 :: 3.8770 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.9700 Ave N Shift Values>> N :: 109.67(3.87) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 L 0.09 C 0.05 M 0.02 C Shift Assignments>> C :: 175.7090 CA :: 52.7650 CB :: 20.8530 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3630 HA :: 4.2510 HB1 :: 1.4440 HB2 :: 1.4440 HB3 :: 1.4440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2490 Ave N Shift Values>> N :: 123.23(3.54) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.6180 CA :: 62.1180 CB :: 70.5550 CG2 :: 21.5500 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 :: 8.1810 HA :: 5.1710 HB :: 3.9020 HG21 :: 1.0450 HG22 :: 1.0450 HG23 :: 1.0450 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 :: 114.9800 Ave N Shift Values>> N :: 115.42(4.75) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.34 A 0.02 G 0.01 C Shift Assignments>> C :: 173.9260 CA :: 58.3390 CB :: 42.2280 CG1 :: 27.0400 CG2 :: 18.0800 CD1 :: 12.3600 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 :: 9.6270 HA :: 4.4040 HB :: 1.6820 HG12 :: 0.8140 HG13 :: 1.0960 HG21 :: 0.4080 HG22 :: 0.4080 HG23 :: 0.4080 HD11 :: 0.6080 HD12 :: 0.6080 HD13 :: 0.6080 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 :: 127.4800 Ave N Shift Values>> N :: 121.46(4.28) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.5010 CA :: 62.1350 CB :: 31.6560 CG1 :: 21.0400 CG2 :: 21.0400 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 :: 8.0590 HA :: 4.6730 HB :: 1.9500 HG11 :: 0.8490 HG12 :: 0.8490 HG13 :: 0.8490 HG21 :: 0.8490 HG22 :: 0.8490 HG23 :: 0.8490 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.2460 Ave N Shift Values>> N :: 121.14(4.54) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 G 0.09 Y 0.04 C Shift Assignments>> C :: 174.2730 CA :: 55.8110 CB :: 42.2760 CD1 :: 135.6500 CD2 :: 135.6500 CE1 :: 116.5900 CE2 :: 116.5900 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 :: 8.8400 HA :: 5.4250 HB2 :: 2.6070 HB3 :: 3.9550 HD1 :: 7.3890 HD2 :: 7.3890 HE1 :: 6.6860 HE2 :: 6.6860 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 :: 126.8620 Ave N Shift Values>> N :: 120.52(4.2) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.26 D 0.13 G 0.1 C 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 177.9430 CA :: 54.2030 CB :: 43.5750 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 :: 8.8430 HA :: 5.4680 HB2 :: 2.4350 HB3 :: 3.0670 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.0860 Ave N Shift Values>> N :: 120.65(3.86) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 M 0.01 E 0.01 C Shift Assignments>> C :: 173.6130 CA :: 55.7720 CB :: 35.5070 CG :: 37.2500 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 :: 8.1210 HA :: 5.1150 HB2 :: 1.8400 HB3 :: 2.1030 HG2 :: 2.2810 HG3 :: 2.3580 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 :: 124.2080 Ave N Shift Values>> N :: 120.67(3.48) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.31 C Shift Assignments>> C :: 175.4800 CA :: 59.7700 CB :: 35.6440 CG1 :: 22.3200 CG2 :: 22.3200 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 :: 8.8220 HA :: 5.7140 HB :: 1.8990 HG11 :: 0.9180 HG12 :: 0.9180 HG13 :: 0.9180 HG21 :: 1.0050 HG22 :: 1.0050 HG23 :: 1.0050 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 :: 121.7540 Ave N Shift Values>> N :: 121.14(4.54) 1.C89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.18 Q 0.16 C 0.16 R 0.08 H 0.07 W 0.05 E 0.03 V 0.01 HN Overlap>> 1.R63 1.R63 C Shift Assignments>> C :: 174.1260 CA :: 56.0850 CB :: 33.1040 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.4040 HA :: 6.2990 HB2 :: 2.4390 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 :: 118.2340 Ave N Shift Values>> N :: 120.17(4.64) 1.I90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 176.2100 CA :: 61.5590 CB :: 41.4890 CG1 :: 28.0400 CG2 :: 17.1000 CD1 :: 13.7000 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 :: 9.7730 HA :: 5.2330 HB :: 1.4120 HG12 :: 0.8530 HG13 :: 1.3340 HG21 :: 0.7960 HG22 :: 0.7960 HG23 :: 0.7960 HD11 :: -0.5850(S) HD12 :: -0.5850(S) HD13 :: -0.5850(S) 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 :: 122.0850 Ave N Shift Values>> N :: 121.46(4.28) 1.Q91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.3 C 0.26 E 0.19 Q 0.18 K 0.04 C Shift Assignments>> C :: 176.0190 CA :: 55.2220 CB :: 31.1930 CG :: 34.8900 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 :: 8.9100 HA :: 4.6190 HB2 :: 1.7380 HB3 :: 2.3160 HG2 :: 1.0560(S) HG3 :: 1.5830 HE21 :: 6.5180 HE22 :: 7.7590 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.8840 NE2 :: 116.0100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.28 C 0.01 C Shift Assignments>> C :: 178.5140 CA :: 53.4660 CB :: 18.2690 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.8880 HA :: 4.5240 HB1 :: 1.8880 HB2 :: 1.8880 HB3 :: 1.8880 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.3000 Ave N Shift Values>> N :: 123.23(3.54) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.7960 CA :: 46.4700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.6750 HA2 :: 4.0870 HA3 :: 3.8060 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6220 Ave N Shift Values>> N :: 109.67(3.87) 1.H94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.44 C 0.4 H 0.14 HN Overlap>> 1.S12 1.S12 C Shift Assignments>> C :: 173.5750 CA :: 56.2200 CB :: 31.7330 CD2 :: 127.2900 CE1 :: 139.1200 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 :: 8.3370 HA :: 4.8260 HB2 :: 2.2300 HB3 :: 2.5300 HD2 :: 6.3640 HE1 :: 7.8490 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 :: 118.2330 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 174.5550 CA :: 60.9820 CB :: 38.7830 CG1 :: 30.3800 CG2 :: 17.2700 CD1 :: 13.6600 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 :: 8.1160 HA :: 5.2110 HB :: 1.2780 HG12 :: 1.0230 HG13 :: 1.4060 HG21 :: 0.9020 HG22 :: 0.9020 HG23 :: 0.9020 HD11 :: 0.8510 HD12 :: 0.8510 HD13 :: 0.8510 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 :: 118.9640 Ave N Shift Values>> N :: 121.46(4.28) 1.W96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.62 C 0.37 C Shift Assignments>> C :: 176.2160 CA :: 54.2430 CB :: 31.7680 CD1 :: 127.3700 CE3 :: 119.9500 CZ2 :: 113.6800 CZ3 :: 121.2000 CH2 :: 123.3400 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.8690 HA :: 5.4770 HB2 :: 2.7780 HB3 :: 3.1650 HD1 :: 7.1670 HE1 :: 10.3390 HE3 :: 7.0580 HZ2 :: 6.7410 HZ3 :: 6.8230 HH2 :: 6.5920 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 :: 127.0920 NE1 :: 133.3100 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.47 C Shift Assignments>> C :: 175.2780 CA :: 59.1840 CB :: 39.6490 CG1 :: 25.4200 CG2 :: 15.7970 CD1 :: 14.3760 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 :: 8.8930 HA :: 5.4720 HB :: 1.5060 HG12 :: 1.1170 HG13 :: 1.6190 HG21 :: 0.1150 HG22 :: 0.1150 HG23 :: 0.1150 HD11 :: 0.4590 HD12 :: 0.4590 HD13 :: 0.4590 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 :: 113.2830 Ave N Shift Values>> N :: 121.46(4.28) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.0480 CA :: 45.1200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0430 HA2 :: 3.0650 HA3 :: 5.0790 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.6840 Ave N Shift Values>> N :: 109.67(3.87) 1.Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 HN Overlap>> 1.S14 1.S14 C Shift Assignments>> C :: 172.6260 CA :: 56.2590 CB :: 40.1470 CD1 :: 133.9000 CD2 :: 133.9000 CE1 :: 117.4000 CE2 :: 117.4000 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 :: 8.4340 HA :: 4.9080 HB2 :: 3.0820 HB3 :: 3.2900 HD1 :: 6.6280 HD2 :: 6.6280 HE1 :: 6.4950 HE2 :: 6.4950 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 :: 117.8090 Ave N Shift Values>> N :: 120.52(4.2) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.22 C 0.07 L 0.05 F 0.04 Y 0.04 C Shift Assignments>> C :: 175.3150 CA :: 51.9860 CB :: 39.3750 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 :: 8.8440 HA :: 5.2860 HB2 :: 2.5750 HB3 :: 2.7590 HD21 :: 7.5060 HD22 :: 7.0990 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 :: 117.1390 ND2 :: 115.0500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 L 0.03 C 0.03 M 0.01 C Shift Assignments>> C :: 179.0950 CA :: 51.2120 CB :: 20.6420 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8700 HA :: 4.6370 HB1 :: 1.5040 HB2 :: 1.5040 HB3 :: 1.5040 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.2180 Ave N Shift Values>> N :: 123.23(3.54) 1.Y102 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 :: 175.9860 CA :: 60.1440 CB :: 37.6530 CD1 :: 133.2900 CD2 :: 133.2900 CE1 :: 118.4200 CE2 :: 118.4200 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 :: 8.7200 HA :: 4.3390 HB2 :: 3.1200 HB3 :: 3.1870 HD1 :: 7.1970 HD2 :: 7.1970 HE1 :: 6.8950 HE2 :: 6.8950 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 :: 121.0670 Ave N Shift Values>> N :: 120.52(4.2) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 C 0.15 Y 0.04 D 0.04 M 0.04 E 0.03 F 0.03 C Shift Assignments>> C :: 175.9630 CA :: 52.2460 CB :: 37.2450 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 :: 7.4900 HA :: 4.4120 HB2 :: 2.5200 HB3 :: 3.0550 HD21 :: 6.5960 HD22 :: 7.4130 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 :: 115.2890 ND2 :: 109.3700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.6200 CA :: 45.1280 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0200 HA2 :: 3.6000 HA3 :: 4.2690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.2040 Ave N Shift Values>> N :: 109.67(3.87) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.19 C 0.08 F 0.06 Y 0.06 L 0.05 C Shift Assignments>> C :: 173.8050 CA :: 53.0300 CB :: 38.9840 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 :: 7.7030 HA :: 4.5760 HB2 :: 2.4290 HB3 :: 2.6680 HD21 :: 7.1170 HD22 :: 7.3180 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 :: 118.5810 ND2 :: 111.6500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.33 K 0.29 G 0.01 HN Overlap>> 1.K38 1.K38 C Shift Assignments>> C :: 174.3600 CA :: 54.6620 CB :: 30.6070 CG :: 25.8900 CD :: 42.3100 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 :: 8.6350 HA :: 4.5640 HB2 :: 1.6460 HB3 :: 1.8770 HG2 :: 1.2420 HG3 :: 1.7340 HD2 :: 2.9500 HD3 :: 3.0880 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 :: 123.1910 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.V107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 172.2900 CA :: 60.6840 CB :: 34.4770 CG1 :: 22.6100 CG2 :: 21.9400 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 :: 8.6680 HA :: 4.5530 HB :: 0.7620(S) HG11 :: 0.7820 HG12 :: 0.7820 HG13 :: 0.7820 HG21 :: 0.5400 HG22 :: 0.5400 HG23 :: 0.5400 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.4820 Ave N Shift Values>> N :: 121.14(4.54) 1.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.22 G 0.03 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> C :: 175.2150 CA :: 56.5720 CB :: 42.4350 CD1 :: 132.2500 CD2 :: 132.2500 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 :: 8.9440 HA :: 5.4930 HB2 :: 2.1090 HB3 :: 2.7050 HD1 :: 6.4200 HD2 :: 6.4200 HE1 :: 6.5080 HE2 :: 6.5080 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.0550 Ave N Shift Values>> N :: 120.52(4.2) 1.C109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.15 R 0.14 C 0.12 W 0.12 K 0.1 E 0.09 M 0.07 C Shift Assignments>> C :: 171.8990 CA :: 54.1650 CB :: 29.8030 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.6750 HA :: 5.4450 HB2 :: 2.5910 HB3 :: 3.1230 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 :: 124.3770 Ave N Shift Values>> N :: 120.17(4.64) 1.P110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.66 P 0.33 C Shift Assignments>> C :: 175.4900 CA :: 62.5980 CB :: 29.4560 CG :: 25.8400 CD :: 50.8500 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 :: 4.1790 HB2 :: 1.0980 HB3 :: -0.4200(S) HG2 :: 1.3500 HG3 :: 2.0410 HD2 :: 4.1640 HD3 :: 3.8600 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 173.5980 CA :: 61.0930 CB :: 33.5210 CG1 :: 21.7200 CG2 :: 18.4200 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 :: 8.3820 HA :: 4.4090 HB :: 1.9290 HG11 :: -0.0810(S) HG12 :: -0.0810(S) HG13 :: -0.0810(S) HG21 :: 0.4890 HG22 :: 0.4890 HG23 :: 0.4890 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 :: 109.2930 Ave N Shift Values>> N :: 121.14(4.54) 1.R112 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.37 A 0.08 C Shift Assignments>> C :: 175.4800 CA :: 54.4490 CB :: 32.1460 CG :: 22.6100(S) CD :: 44.9200 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 :: 6.7350 HA :: 3.1580 HB2 :: 1.4220 HB3 :: 2.1680 HG2 :: 1.4020 HG3 :: 1.5450 HD2 :: 2.7140 HD3 :: 3.3300 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 :: 110.8250 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.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.1230 CA :: 62.4680 CB :: 70.5020 CG2 :: 21.8100 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 :: 8.8980 HA :: 4.2380 HB :: 4.1390 HG21 :: 1.2830 HG22 :: 1.2830 HG23 :: 1.2830 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.0020 Ave N Shift Values>> N :: 115.42(4.75) 1.C114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.17 E 0.12 I 0.09 K 0.09 H 0.09 R 0.08 Q 0.08 V 0.02 M 0.02 C Shift Assignments>> C :: 172.6690 CA :: 59.6170 CB :: 29.5450 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9360 HA :: 4.5150 HB2 :: 2.2960 HB3 :: 2.3620 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 :: 119.5220 Ave N Shift Values>> N :: 120.17(4.64) 1.Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 Q 0.26 C 0.24 K 0.05 E 0.05 C Shift Assignments>> C :: 175.4560 CA :: 54.2420 CB :: 31.1760 CG :: 33.8800 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 :: 7.9630 HA :: 4.6280 HB2 :: 2.0660 HB3 :: 1.9230 HG2 :: 2.3000 HG3 :: 2.3400 HE21 :: 6.8510 HE22 :: 7.5560 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 :: 129.3420 NE2 :: 112.2500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.28 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 171.9070 CA :: 44.2170 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5910 HA2 :: 3.7200 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 :: 112.3110 Ave N Shift Values>> N :: 109.67(3.87) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.08 A 0.03 C Shift Assignments>> C :: 171.8570 CA :: 57.9570 CB :: 32.5490 CG1 :: 21.4500 CG2 :: 17.6000 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 :: 7.7450 HA :: 4.1380 HB :: 1.3030 HG11 :: 0.7910 HG12 :: 0.7910 HG13 :: 0.7910 HG21 :: 0.6300 HG22 :: 0.6300 HG23 :: 0.6300 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.1130 Ave N Shift Values>> N :: 121.14(4.54) 1.P118 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> C 0.72 P 0.26 C Shift Assignments>> CA :: 61.4900 CB :: 29.7600 CG :: 26.6900 CD :: 49.3100 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 :: 4.4960 HB2 :: 0.1710(S) HB3 :: 0.9590 HG2 :: -0.6120(A) HG3 :: -0.0520(S) HD2 :: 2.1270(S) HD3 :: 1.1680(S) 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.P119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 P 0.06 G 0.02 A 0.01 C Shift Assignments>> C :: 176.0060 CA :: 64.1560 CB :: 34.0350 CG :: 24.2200 CD :: 49.1500 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 :: 4.3760 HB2 :: 2.3350 HB3 :: 2.1220 HG2 :: 1.5670 HG3 :: 1.9290 HD2 :: 3.3150 HD3 :: 3.2520 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.N120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.22 C 0.08 F 0.07 Y 0.06 L 0.06 C Shift Assignments>> C :: 172.9630 CA :: 53.1150 CB :: 39.2270 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 :: 8.4140 HA :: 4.9040 HB2 :: 2.5530 HB3 :: 2.9390 HD21 :: 7.0040 HD22 :: 7.7000 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 :: 124.4720 ND2 :: 114.5900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.36 C 0.32 H 0.3 C Shift Assignments>> C :: 174.7880 CA :: 55.7000 CB :: 30.7080 CD2 :: 115.3850 CE1 :: 137.9100 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 :: 8.5910 HA :: 4.4270 HB2 :: 1.7000(S) HB3 :: 2.1300 HD2 :: 6.2360 HE1 :: 7.3630 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 :: 120.2760 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.43 A 0.02 C Shift Assignments>> C :: 174.7180 CA :: 58.1300 CB :: 39.7700 CG1 :: 26.4300 CG2 :: 17.5800 CD1 :: 13.1300 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 :: 8.8830 HA :: 4.3450 HB :: 1.7400 HG12 :: 0.8690 HG13 :: 1.3920 HG21 :: 0.7160 HG22 :: 0.7160 HG23 :: 0.7160 HD11 :: 0.7250 HD12 :: 0.7250 HD13 :: 0.7250 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 :: 120.4740 Ave N Shift Values>> N :: 121.46(4.28) 1.P123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 177.1040 CA :: 62.6070 CB :: 32.5290 CG :: 27.4300 CD :: 51.4900 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4960 HB2 :: 2.0670 HB3 :: 1.9370 HG2 :: 1.6830 HG3 :: 1.6830 HD2 :: 3.5760 HD3 :: 3.4800 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.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.28 D 0.07 F 0.05 K 0.05 G 0.04 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 173.9060 CA :: 43.1170 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5530 HA2 :: 3.7540 HA3 :: 4.2470 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.0300 Ave N Shift Values>> N :: 109.67(3.87) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 HN Overlap>> 1.W127 1.W127 C Shift Assignments>> C :: 176.1480 CA :: 63.6380 CB :: 32.1180 CG1 :: 20.8900 CG2 :: 21.4200 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 :: 8.4930 HA :: 3.9200 HB :: 2.0860 HG11 :: 1.1110 HG12 :: 1.1110 HG13 :: 1.1110 HG21 :: 1.1220 HG22 :: 1.1220 HG23 :: 1.1220 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 :: 121.9160 Ave N Shift Values>> N :: 121.14(4.54) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 L 0.06 C 0.04 M 0.03 C Shift Assignments>> C :: 179.4470 CA :: 52.6690 CB :: 20.6280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8350 HA :: 4.4900 HB1 :: 1.7380 HB2 :: 1.7380 HB3 :: 1.7380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.8720 Ave N Shift Values>> N :: 123.23(3.54) 1.W127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 C 0.38 HN Overlap>> 1.V125 1.V125 C Shift Assignments>> C :: 174.6840 CA :: 55.6290 CB :: 28.1540 CD1 :: 125.3800 CE3 :: 121.2300 CZ2 :: 113.6900 CZ3 :: 121.2200 CH2 :: 124.1600 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 :: 8.5550 HA :: 5.1130 HB2 :: 3.2540 HB3 :: 3.7310 HD1 :: 7.1300 HE1 :: 9.9850 HE3 :: 7.5910 HZ2 :: 7.4540 HZ3 :: 6.7920 HH2 :: 7.2320 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 :: 121.9280 NE1 :: 128.2100 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G128 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 :: 171.6940 CA :: 45.6890 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.2800 HA2 :: 3.9370 HA3 :: 3.9370 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.9810 Ave N Shift Values>> N :: 109.67(3.87) 1.V129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 173.2550 CA :: 60.6610 CB :: 35.5510 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 :: 8.2740 HA :: 4.3430 HB :: 1.8370 HG11 :: 0.8110 HG12 :: 0.8110 HG13 :: 0.8110 HG21 :: 0.8630 HG22 :: 0.8630 HG23 :: 0.8630 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 :: 119.0780 Ave N Shift Values>> N :: 121.14(4.54) 1.F130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> C :: 175.7710 CA :: 57.1760 CB :: 40.6700 CD1 :: 133.2900 CD2 :: 133.2900 CE1 :: 130.5000 CE2 :: 130.5000 CZ :: 128.3400 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 :: 8.4640 HA :: 5.5440 HB2 :: 2.9420 HB3 :: 3.4050 HD1 :: 7.6960 HD2 :: 7.6960 HE1 :: 7.0900 HE2 :: 7.0900 HZ :: 6.8540 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 :: 122.6330 Ave N Shift Values>> N :: 120.45(4.18) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.46 R 0.06 C Shift Assignments>> C :: 180.4930 CA :: 57.1340 CB :: 35.0230 CG :: 24.5900 CD :: 29.5200 CE :: 41.9400 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 :: 9.3750 HA :: 4.4520 HB2 :: 1.6610 HB3 :: 1.7970 HG2 :: 1.2350 HG3 :: 1.2350 HD2 :: 1.5770 HD3 :: 1.5770 HE2 :: 2.8410 HE3 :: 2.8410 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 :: 128.7800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 8 #Anomalous: 1 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 127 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 130 #Suspicious: 1 C Shift Results: #Consistent: 557 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 840 #Duplicate: 0 #Unknown: 0 #Suspicious: 27 #Anomalous: 2 N Shift Results: #Consistent: 136 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K39 HB2 = -0.5590(S), Expected = 1.78, Std = 0.2500, ChiSquare = 8.2813e-21 1.K39 HB3 = 0.8070(S), Expected = 1.74, Std = 0.2700, ChiSquare = 5.4916e-04 1.K39 HG2 = -0.0760(S), Expected = 1.37, Std = 0.2600, ChiSquare = 2.6741e-08 1.K47 HB2 = 0.7860(S), Expected = 1.78, Std = 0.2500, ChiSquare = 7.0084e-05 1.K47 HG2 = 0.3190(S), Expected = 1.37, Std = 0.2600, ChiSquare = 5.2928e-05 1.K47 HD2 = -0.0170(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.4093e-13 1.K47 HD3 = 0.6700(S), Expected = 1.60, Std = 0.2200, ChiSquare = 2.3654e-05 1.K47 HE2 = 2.1340(S), Expected = 2.92, Std = 0.1900, ChiSquare = 3.5212e-05 1.K47 HE3 = 2.1340(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.0446e-04 1.P67 Typing: Mistyped 1.P67 C = 170.0300(S), Expected = 176.75, Std = 1.5100, ChiSquare = 8.5738e-06 1.P67 CB = 25.9100(S), Expected = 31.85, Std = 1.1800, ChiSquare = 4.8060e-07 1.P67 HA = 2.6390(S), Expected = 4.40, Std = 0.3300, ChiSquare = 9.4829e-08 1.P67 HB2 = -0.3520(A), Expected = 2.08, Std = 0.3500, ChiSquare = 3.6900e-12 1.P67 HB3 = -0.3520(S), Expected = 2.00, Std = 0.3600, ChiSquare = 6.4322e-11 1.P67 HG2 = 0.6410(S), Expected = 1.93, Std = 0.3100, ChiSquare = 3.2096e-05 1.P67 HD2 = 1.5140(S), Expected = 3.65, Std = 0.3500, ChiSquare = 1.0419e-09 1.P67 SRO Rule Break>> CB > CG : 0.993121238177128 1.I90 HD11 = -0.5850(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.2884e-05 1.I90 HD12 = -0.5850(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.2884e-05 1.I90 HD13 = -0.5850(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.2884e-05 1.Q91 HG2 = 1.0560(S), Expected = 2.32, Std = 0.2700, ChiSquare = 2.8481e-06 1.V107 HB = 0.7620(S), Expected = 1.98, Std = 0.3200, ChiSquare = 1.4109e-04 1.P110 HB3 = -0.4200(S), Expected = 2.00, Std = 0.3600, ChiSquare = 1.7897e-11 1.V111 HG11 = -0.0810(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.5859e-04 1.V111 HG12 = -0.0810(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.5859e-04 1.V111 HG13 = -0.0810(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.5859e-04 1.R112 Typing: Mistyped 1.R112 CG = 22.6100(S), Expected = 27.21, Std = 1.2000, ChiSquare = 1.2642e-04 1.P118 HB2 = 0.1710(S), Expected = 2.08, Std = 0.3500, ChiSquare = 4.9170e-08 1.P118 HG2 = -0.6120(A), Expected = 1.93, Std = 0.3100, ChiSquare = 2.4039e-16 1.P118 HG3 = -0.0520(S), Expected = 1.90, Std = 0.3300, ChiSquare = 3.3157e-09 1.P118 HD2 = 2.1270(S), Expected = 3.65, Std = 0.3500, ChiSquare = 1.3525e-05 1.P118 HD3 = 1.1680(S), Expected = 3.61, Std = 0.3900, ChiSquare = 3.8120e-10 1.H121 HB2 = 1.7000(S), Expected = 3.10, Std = 0.3600, ChiSquare = 1.0070e-04