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.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.78 R 0.19 G 0.01 C Shift Assignments>> C :: 176.8980 CA :: 56.5950 CB :: 32.9520 CG :: 24.6460 CD :: 29.1010 CE :: 42.1380 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.3810 HB2 :: 1.8660 HB3 :: 1.7680 HG2 :: 1.4080 HD2 :: 1.6650 HE2 :: 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) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.6810 CA :: 62.1680 CB :: 69.5720 CG2 :: 21.5270 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 :: 4.2730 HB :: 4.1990 HG21 :: 1.1790 HG22 :: 1.1790 HG23 :: 1.1790 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 :: 115.2120 Ave N Shift Values>> N :: 115.42(4.75) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.36 E 0.09 M 0.09 R 0.03 C Shift Assignments>> C :: 175.5990 CA :: 56.1230 CB :: 29.4700 CG :: 33.7730 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 :: 8.3790 HA :: 4.2890 HB2 :: 1.9770 HB3 :: 2.0800 HG2 :: 2.3300 HE21 :: 7.5480 HE22 :: 6.8530 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 :: 122.1800 NE2 :: 112.4940 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 K 0.11 F 0.11 N 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.1610 CA :: 54.6530 CB :: 41.1030 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 :: 8.3190 HA :: 4.5330 HB2 :: 2.5620 HB3 :: 2.6760 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 :: 121.6340 Ave N Shift Values>> N :: 120.65(3.86) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.05 G 0.02 A 0.02 HN Overlap>> 1.A136 1.I80 1.A136 1.I80 C Shift Assignments>> C :: 177.0470 CA :: 55.3230 CB :: 42.3300 CG :: 26.9030 CD1 :: 23.5970 CD2 :: 24.9550 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 :: 8.0800 HA :: 4.2860 HB2 :: 1.6230 HB3 :: 1.5560 HG :: 1.5890 HD11 :: 0.8400 HD12 :: 0.8400 HD13 :: 0.8400 HD21 :: 0.8970 HD22 :: 0.8970 HD23 :: 0.8970 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 :: 122.0720 Ave N Shift Values>> N :: 121.86(3.9) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 176.8240 CA :: 54.9470 CB :: 42.1530 CG :: 27.0470 CD1 :: 24.9450 CD2 :: 23.6310 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 :: 8.1580 HA :: 4.2970 HB2 :: 1.5570 HB3 :: 1.6140 HG :: 1.5750 HD11 :: 0.8930 HD12 :: 0.8930 HD13 :: 0.8930 HD21 :: 0.8400 HD22 :: 0.8400 HD23 :: 0.8400 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 :: 122.4960 Ave N Shift Values>> N :: 121.86(3.9) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.04 A 0.02 G 0.01 HN Overlap>> 1.L10 1.I169 1.L10 1.I169 C Shift Assignments>> CA :: 54.9470 CB :: 42.1530 CG :: 27.0800 CD1 :: 24.9610 CD2 :: 23.6130 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 :: 8.0560 HA :: 4.3070 HB2 :: 1.6180 HB3 :: 1.5610 HG :: 1.5740 HD11 :: 0.8920 HD12 :: 0.8920 HD13 :: 0.8920 HD21 :: 0.8440 HD22 :: 0.8440 HD23 :: 0.8440 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 :: 122.9350 Ave N Shift Values>> N :: 121.86(3.9) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 G 0.08 R 0.06 A 0.03 HN Overlap>> 1.I169 1.L9 1.I169 1.L9 C Shift Assignments>> C :: 176.5480 CA :: 54.5070 CB :: 43.1530 CG :: 26.8420 CD1 :: 25.1300 CD2 :: 23.5400 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 :: 8.0730 HA :: 4.4590 HB2 :: 1.6080 HG :: 1.5820 HD11 :: 0.9000 HD12 :: 0.9000 HD13 :: 0.9000 HD21 :: 0.8370 HD22 :: 0.8370 HD23 :: 0.8370 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 :: 122.9380 Ave N Shift Values>> N :: 121.86(3.9) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.24 K 0.12 N 0.1 F 0.08 Y 0.06 R 0.02 C Shift Assignments>> C :: 175.4430 CA :: 53.9900 CB :: 41.3600 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 :: 8.4770 HA :: 4.6760 HB2 :: 2.6290 HB3 :: 2.7210 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 :: 121.0600 Ave N Shift Values>> N :: 120.65(3.86) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 V 0.33 I 0.03 HN Overlap>> 1.G86 1.G86 C Shift Assignments>> C :: 175.6130 CA :: 57.9550 CB :: 36.5480 CG1 :: 21.5590 CG2 :: 18.0800 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 :: 7.5980 HA :: 5.1060 HB :: 1.5940 HG11 :: 0.6520 HG12 :: 0.6520 HG13 :: 0.6520 HG21 :: 0.6380 HG22 :: 0.6380 HG23 :: 0.6380 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 :: 110.8670 Ave N Shift Values>> N :: 121.14(4.54) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 G 0.07 M 0.06 C Shift Assignments>> C :: 176.3290 CA :: 48.9980 CB :: 17.5060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4940 HA :: 4.6090 HB1 :: 1.2340 HB2 :: 1.2340 HB3 :: 1.2340 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8240 Ave N Shift Values>> N :: 123.23(3.54) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.4850 CA :: 64.2590 CB :: 32.5580 CG :: 27.0210 CD :: 50.9120 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 :: 4.3400 HB2 :: 1.9110 HB3 :: 2.3120 HG2 :: 2.0570 HD2 :: 4.1420 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.L15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 A 0.4 L 0.12 C Shift Assignments>> C :: 175.9540 CA :: 52.4500 CB :: 48.6450(S) CG :: 27.3560 CD1 :: 24.4000 CD2 :: 27.2100 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.3420 HA :: 4.6060 HB2 :: 1.6110 HB3 :: 1.3530 HG :: 1.4710 HD11 :: 1.1200 HD12 :: 1.1200 HD13 :: 1.1200 HD21 :: 0.8550 HD22 :: 0.8550 HD23 :: 0.8550 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 :: 113.9460 Ave N Shift Values>> N :: 121.86(3.9) 1.S16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.7150 CA :: 59.0720 CB :: 62.8790 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.6720(S) HA :: 4.8190 HB2 :: 3.3350 HB3 :: 4.1840 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 :: 119.5220 Ave N Shift Values>> N :: 116.28(3.52) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.18 A 0.05 C Shift Assignments>> C :: 178.0650 CA :: 52.3010 CB :: 46.4840 CG :: 26.1800 CD1 :: 23.8460 CD2 :: 26.0300 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6890 HA :: 5.5050 HB2 :: 1.4890 HB3 :: 1.7920 HG :: 1.9360 HD11 :: 0.9180 HD12 :: 0.9180 HD13 :: 0.9180 HD21 :: 0.9540 HD22 :: 0.9540 HD23 :: 0.9540 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.5690 Ave N Shift Values>> N :: 121.86(3.9) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 170.9100 CA :: 46.5340 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.3030 HA2 :: 4.4030 HA3 :: 4.0510 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.2530 Ave N Shift Values>> N :: 109.67(3.87) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 A 0.31 G 0.31 C Shift Assignments>> C :: 174.2630 CA :: 57.6220 CB :: 42.8960 CG1 :: 24.9350 CG2 :: 18.0620 CD1 :: 14.2810 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 :: 8.3750 HB :: 1.8960 HG12 :: 1.0190 HG13 :: 0.5760 HG21 :: 0.8580 HG22 :: 0.8580 HG23 :: 0.8580 HD11 :: -0.0940 HD12 :: -0.0940 HD13 :: -0.0940 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 :: 113.2600 Ave N Shift Values>> N :: 121.46(4.28) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 M 0.42 Q 0.01 C Shift Assignments>> C :: 177.1470 CA :: 55.7940 CB :: 32.0790 CG :: 36.8170 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 :: 7.3480 HA :: 4.7770 HB3 :: 2.0800 HG3 :: 2.3600 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 :: 119.6400 Ave N Shift Values>> N :: 120.67(3.48) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.2290 CA :: 60.4990 CB :: 70.4740 CG2 :: 22.8000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.4740 HA :: 4.8100 HB :: 4.7700 HG1 :: 5.4400 HG21 :: 1.2100 HG22 :: 1.2100 HG23 :: 1.2100 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 :: 120.6280 Ave N Shift Values>> N :: 115.42(4.75) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.19 C Shift Assignments>> C :: 178.0260 CA :: 53.7500 CB :: 19.1640 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2990 HA :: 4.0330 HB1 :: 0.7880 HB2 :: 0.7880 HB3 :: 0.7880 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.4300 Ave N Shift Values>> N :: 123.23(3.54) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.01 C Shift Assignments>> C :: 174.7970 CA :: 45.3130 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3840 HA2 :: 3.9480 HA3 :: 3.4240 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.3060 Ave N Shift Values>> N :: 109.67(3.87) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.3100 CA :: 45.8300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2020 HA2 :: 3.5080 HA3 :: 3.2790 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7120 Ave N Shift Values>> N :: 109.67(3.87) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.4230 CA :: 62.3730 CB :: 34.0530 CG1 :: 22.3520 CG2 :: 20.9960 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 :: 7.1840 HA :: 3.8060 HB :: 1.7590 HG11 :: 0.7500 HG12 :: 0.7500 HG13 :: 0.7500 HG21 :: 0.7510 HG22 :: 0.7510 HG23 :: 0.7510 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.8990 Ave N Shift Values>> N :: 121.14(4.54) 1.M26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.58 M 0.41 C Shift Assignments>> C :: 174.0470 CA :: 54.5260 CB :: 33.6020 CG :: 33.6000 CE :: 18.5600 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 :: 8.2630 HA :: 3.8650 HB2 :: 2.0290 HB3 :: 0.7100(S) HG2 :: 2.1200 HG3 :: 2.2200 HE1 :: 1.7180 HE2 :: 1.7180 HE3 :: 1.7180 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 :: 125.0860 Ave N Shift Values>> N :: 120.09(3.57) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.1160 CA :: 62.5240 CB :: 69.0300 CG2 :: 21.4790 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 :: 8.9860 HA :: 4.4890 HB :: 4.0050 HG21 :: 1.2780 HG22 :: 1.2780 HG23 :: 1.2780 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 :: 130.0100 Ave N Shift Values>> N :: 115.42(4.75) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 K 0.42 C Shift Assignments>> C :: 175.6440 CA :: 58.1280 CB :: 33.4440 CG :: 26.8740 CD :: 30.0800 CE :: 41.8730 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 :: 8.9120 HA :: 3.8170 HB2 :: 1.7500 HB3 :: 1.2600 HG2 :: 1.4400 HG3 :: 0.9700 HD2 :: 1.6670 HE2 :: 2.8700 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 :: 126.3680 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 R 0.35 L 0.26 HN Overlap>> 1.I43 1.I43 C Shift Assignments>> C :: 176.0610 CA :: 56.2770 CB :: 43.7650 CG :: 29.6820 CD1 :: 24.5860 CD2 :: 24.5860 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 :: 8.8510 HA :: 4.4860 HB2 :: 1.0650 HB3 :: 0.5430 HG :: 1.4320 HD11 :: 0.6580 HD12 :: 0.6580 HD13 :: 0.6580 HD21 :: 0.5680 HD22 :: 0.5680 HD23 :: 0.5680 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.3990 Ave N Shift Values>> N :: 121.86(3.9) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 A 0.13 C Shift Assignments>> C :: 173.2510 CA :: 56.7320 CB :: 40.2670 CG1 :: 26.8500 CG2 :: 16.1890 CD1 :: 13.4240 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 :: 7.6560 HA :: 4.6040 HB :: 1.9720 HG12 :: 1.3490 HG13 :: 1.1290 HG21 :: 0.7650 HG22 :: 0.7650 HG23 :: 0.7650 HD11 :: 0.8690 HD12 :: 0.8690 HD13 :: 0.8690 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 :: 116.6940 Ave N Shift Values>> N :: 121.46(4.28) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.5290 CA :: 62.1280 CB :: 32.8130 CG :: 27.3160 CD :: 51.0340 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 :: 4.3200 HB2 :: 1.8600 HB3 :: 2.3230 HG2 :: 2.0000 HD2 :: 4.1380 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.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 K 0.09 G 0.08 L 0.02 C Shift Assignments>> C :: 175.7110 CA :: 57.5600 CB :: 29.6930 CG :: 27.4450 CD :: 43.1710 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 :: 8.6860 HA :: 3.4530 HB2 :: 1.5750 HB3 :: 1.9400 HG2 :: 1.2180 HG3 :: 1.3780 HD2 :: 3.1990 HD3 :: 3.0030 HE :: 7.1500 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.5930 NE :: 84.2770 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.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 M 0.2 N 0.13 Y 0.09 K 0.07 F 0.05 Q 0.04 I 0.01 C Shift Assignments>> C :: 174.5690 CA :: 55.0960 CB :: 36.1210 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 :: 9.4640 HA :: 4.1760 HB2 :: 3.1930 HB3 :: 3.0070 HD21 :: 7.5990 HD22 :: 6.4910 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 :: 118.3080 ND2 :: 110.9000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.7120 CA :: 59.8360 CB :: 63.8760 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7330 HA :: 4.4650 HB2 :: 3.6220 HB3 :: 3.8410 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 :: 115.1220 Ave N Shift Values>> N :: 116.28(3.52) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.5460 CA :: 63.2820 CB :: 69.4540 CG2 :: 22.4160 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 :: 8.4610 HA :: 4.4600 HB :: 4.1260 HG21 :: 1.2550 HG22 :: 1.2550 HG23 :: 1.2550 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 :: 118.7010 Ave N Shift Values>> N :: 115.42(4.75) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 A 0.09 C Shift Assignments>> C :: 173.6430 CA :: 57.6040 CB :: 39.1080 CG1 :: 25.9500 CG2 :: 17.8270 CD1 :: 12.8230 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 :: 7.7170 HA :: 4.2000 HB :: 1.5500 HG12 :: 1.1600 HG13 :: 0.6600 HG21 :: 0.7100 HG22 :: 0.7100 HG23 :: 0.7100 HD11 :: 0.8080 HD12 :: 0.8080 HD13 :: 0.8080 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 :: 118.3530 Ave N Shift Values>> N :: 121.46(4.28) 1.P37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.86 S 0.1 P 0.02 C Shift Assignments>> C :: 175.8970 CA :: 62.2100 CB :: 36.4380(S) CG :: 24.5310 CD :: 51.2470 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 :: 4.4600 HB2 :: 2.1830 HB3 :: 2.3280 HG2 :: 1.8680 HD2 :: 3.7010 HD3 :: 3.3840 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.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 169.7610 CA :: 61.4520 CB :: 68.3890 CG2 :: 19.4510 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 :: 8.5500 HA :: 4.5990 HB :: 4.5400 HG21 :: 1.0230 HG22 :: 1.0230 HG23 :: 1.0230 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 :: 115.4610 Ave N Shift Values>> N :: 115.42(4.75) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.11 G 0.01 A 0.01 C Shift Assignments>> C :: 175.3650 CA :: 54.8740 CB :: 35.5760 CG :: 24.4210 CD :: 29.5680 CE :: 41.9110 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 :: 7.7260 HA :: 5.6070 HB2 :: 1.7680 HB3 :: 1.7990 HG2 :: 1.2970 HG3 :: 1.2350 HD2 :: 1.5960 HE2 :: 2.8680 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.0980 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.28 G 0.1 A 0.03 HN Overlap>> 1.Q57 1.Q57 C Shift Assignments>> C :: 174.2180 CA :: 54.3030 CB :: 37.0760 CG :: 24.6160 CD :: 28.0630 CE :: 42.3440 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 :: 9.0670 HA :: 4.8240 HB2 :: 1.7650 HB3 :: 1.7030 HG2 :: 1.4410 HG3 :: 1.5500 HD2 :: 1.9280 HE2 :: 3.0750 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.6200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.79 T 0.2 C Shift Assignments>> C :: 173.1170 CA :: 56.5910 CB :: 66.8080 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6530 HA :: 6.0190(S) HB2 :: 3.5970 HB3 :: 3.7350 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 :: 118.8370 Ave N Shift Values>> N :: 116.28(3.52) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 E 0.3 Q 0.02 C Shift Assignments>> C :: 173.2900 CA :: 54.8600 CB :: 34.7200 CG :: 36.2060 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 :: 8.8970 HA :: 4.6050 HB2 :: 1.8600 HB3 :: 1.7500 HG2 :: 1.9400 HG3 :: 1.9900 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 :: 122.2180 Ave N Shift Values>> N :: 120.67(3.48) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L29 1.L29 C Shift Assignments>> C :: 175.1640 CA :: 59.9380 CB :: 37.5070 CG1 :: 27.9360 CG2 :: 18.0960 CD1 :: 11.2090 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 :: 8.8250 HA :: 4.6710 HB :: 1.7660 HG12 :: 1.5480 HG13 :: 1.1810 HG21 :: 0.8550 HG22 :: 0.8550 HG23 :: 0.8550 HD11 :: 0.7620 HD12 :: 0.7620 HD13 :: 0.7620 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 :: 123.4160 Ave N Shift Values>> N :: 121.46(4.28) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 F 0.26 G 0.14 C Shift Assignments>> C :: 173.6620 CA :: 56.2590 CB :: 43.1500 CD1 :: 132.1250 CE1 :: 128.4000 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 :: 9.5760 HA :: 5.0420 HB2 :: 2.7250 HB3 :: 3.2000 HD1 :: 7.0940 HE1 :: 6.8750 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 :: 127.7910 Ave N Shift Values>> N :: 120.45(4.18) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.4210 CA :: 55.2650 CB :: 64.8560 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5790 HA :: 4.8790 HB2 :: 3.8550 HB3 :: 3.5600 HG :: 6.8050 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.7510 Ave N Shift Values>> N :: 116.28(3.52) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.5120 CA :: 60.0970 CB :: 69.0490 CG2 :: 23.7610 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.0320 HA :: 4.4630 HB :: 4.4430 HG1 :: 6.4310 HG21 :: 1.0500 HG22 :: 1.0500 HG23 :: 1.0500 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 :: 109.2970 Ave N Shift Values>> N :: 115.42(4.75) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 HN Overlap>> 1.K147 1.K147 C Shift Assignments>> C :: 174.0440 CA :: 57.6260 CB :: 42.0370 CD1 :: 133.0470 CE1 :: 118.3100 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 :: 7.8170 HA :: 4.2700 HB2 :: 2.9600 HB3 :: 2.7480 HD1 :: 7.1690 HE1 :: 6.7790 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 :: 119.5860 Ave N Shift Values>> N :: 120.52(4.2) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 L 0.18 G 0.03 C Shift Assignments>> C :: 176.2720 CA :: 49.5240 CB :: 22.2500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4690 HA :: 4.5700 HB1 :: 1.4210 HB2 :: 1.4210 HB3 :: 1.4210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1870 Ave N Shift Values>> N :: 123.23(3.54) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 F 0.14 Y 0.11 K 0.09 N 0.09 C Shift Assignments>> C :: 176.7860 CA :: 55.1010 CB :: 40.8650 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.5720 HA :: 4.3850 HB2 :: 2.5180 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.4220 Ave N Shift Values>> N :: 120.65(3.86) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 N 0.2 M 0.17 Y 0.11 F 0.06 K 0.05 Q 0.02 I 0.01 D 0.01 C Shift Assignments>> C :: 173.9630 CA :: 54.8290 CB :: 36.4070 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 :: 9.0290 HA :: 4.2310 HB2 :: 2.9970 HB3 :: 2.8350 HD21 :: 7.4840 HD22 :: 6.7110 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 :: 115.7860 ND2 :: 113.1750 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 M 0.38 K 0.16 E 0.05 C Shift Assignments>> C :: 176.6100 CA :: 54.7860 CB :: 30.7110 CG :: 33.5300 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 :: 7.6870 HA :: 4.4500 HB2 :: 2.0360 HB3 :: 2.6410 HG2 :: 2.3390 HG3 :: 2.3800 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 :: 123.8490 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.7610 CA :: 64.2620 CB :: 31.9780 CG :: 26.7680 CD :: 51.1000 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 :: 4.9170 HB3 :: 2.1730 HG2 :: 2.0860 HG3 :: 1.9920 HD2 :: 4.1300 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.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 172.3020 CA :: 45.3420 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.0760 HA2 :: 4.7840 HA3 :: 4.0340 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.2000 Ave N Shift Values>> N :: 109.67(3.87) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 I 0.13 A 0.09 C Shift Assignments>> C :: 172.6290 CA :: 58.8910 CB :: 35.4980 CG1 :: 23.5080 CG2 :: 19.4740 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 :: 8.6180 HA :: 4.4510 HB :: 1.7900 HG11 :: 0.5980 HG12 :: 0.5980 HG13 :: 0.5980 HG21 :: 0.7010 HG22 :: 0.7010 HG23 :: 0.7010 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 :: 109.5190 Ave N Shift Values>> N :: 121.14(4.54) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 A 0.14 G 0.09 R 0.08 C Shift Assignments>> C :: 174.6280 CA :: 53.5020 CB :: 42.8960 CG :: 26.1510 CD1 :: 22.8800 CD2 :: 26.1510 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8760 HA :: 4.5000 HB2 :: 1.5710 HB3 :: 1.0400 HG :: 0.6830 HD11 :: 0.6270 HD12 :: 0.6270 HD13 :: 0.6270 HD21 :: 0.6830 HD22 :: 0.6830 HD23 :: 0.6830 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.7290 Ave N Shift Values>> N :: 121.86(3.9) 1.I56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.92 M 0.03 A 0.03 C Shift Assignments>> C :: 173.7720 CA :: 58.8910 CB :: 34.5170 CG1 :: 27.2300 CG2 :: 18.0600 CD1 :: 12.1400 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 :: 8.8250 HA :: 3.9000 HB :: 0.5000(S) HG12 :: 0.6140 HG13 :: 0.6550 HG21 :: 0.2860 HG22 :: 0.2860 HG23 :: 0.2860 HD11 :: 0.2000 HD12 :: 0.2000 HD13 :: 0.2000 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.1380 Ave N Shift Values>> N :: 121.46(4.28) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 E 0.33 Q 0.01 HN Overlap>> 1.K40 1.K40 C Shift Assignments>> C :: 173.7330 CA :: 54.8290 CB :: 34.5900 CG :: 36.4760 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 :: 8.9760 HA :: 4.6130 HB2 :: 1.9200 HB3 :: 2.1450 HG3 :: 2.2760 HE22 :: 7.1860 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 :: 125.6680 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.1950 CA :: 61.6840 CB :: 32.4860 CG1 :: 21.1480 CG2 :: 21.2000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.6200 HA :: 4.6430 HB :: 1.7260 HG11 :: 0.6870 HG12 :: 0.6870 HG13 :: 0.6870 HG21 :: 0.8320 HG22 :: 0.8320 HG23 :: 0.8320 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.7000 Ave N Shift Values>> N :: 121.14(4.54) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 Y 0.05 F 0.02 C Shift Assignments>> C :: 174.1470 CA :: 56.8090 CB :: 46.3090 CD1 :: 131.4350 CE1 :: 133.0470 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 :: 9.1070 HA :: 5.3090 HB2 :: 2.3610 HB3 :: 2.5450 HD1 :: 6.7610 HE1 :: 7.1800 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.8810 Ave N Shift Values>> N :: 120.45(4.18) 1.E60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.75 E 0.24 C Shift Assignments>> C :: 175.5980 CA :: 52.8110 CB :: 33.5070 CG :: 36.8960 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0360 HA :: 5.8390(S) HB2 :: 1.8170 HB3 :: 2.0110 HG2 :: 2.2410 HG3 :: 2.1500 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.7750 Ave N Shift Values>> N :: 120.67(3.48) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.31 G 0.16 D 0.05 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.9550 CA :: 43.7500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9440 HA2 :: 3.6390 HA3 :: 4.8260 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.5360 Ave N Shift Values>> N :: 109.67(3.87) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 E 0.39 Q 0.05 C Shift Assignments>> C :: 178.5950 CA :: 54.3220 CB :: 31.9780 CG :: 36.1070 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 :: 8.0470 HA :: 4.5000 HB2 :: 2.3270 HB3 :: 1.5000 HG2 :: 2.2800 HG3 :: 2.1800 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 :: 109.8860 Ave N Shift Values>> N :: 120.67(3.48) 1.R63 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 K 0.04 C Shift Assignments>> C :: 176.9900 CA :: 53.8270 CB :: 27.5100 CG :: 25.5500 CD :: 39.7250(S) 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 :: 8.5280 HA :: 4.3200 HB2 :: 1.6000 HB3 :: 2.5300 HG2 :: 1.5600 HG3 :: 1.8860 HD2 :: 3.3000 HD3 :: 2.9300 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.0040 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.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.12 L 0.08 V 0.01 C Shift Assignments>> C :: 177.7730 CA :: 54.4650 CB :: 20.2350 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4890 HA :: 4.1050 HB1 :: 1.3780 HB2 :: 1.3780 HB3 :: 1.3780 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7110 Ave N Shift Values>> N :: 123.23(3.54) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.13 G 0.01 C Shift Assignments>> C :: 177.4800 CA :: 53.6740 CB :: 32.1790 CG :: 24.8300 CD :: 29.3280 CE :: 42.0630 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 :: 8.6980 HA :: 4.3350 HB2 :: 1.8100 HB3 :: 1.9110 HG2 :: 1.4180 HD2 :: 1.6690 HE2 :: 2.9760 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.1580 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.57 T 0.42 C Shift Assignments>> C :: 176.9170 CA :: 65.3560 CB :: 65.1150 CG2 :: 23.7890 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 :: 7.9460 HA :: 2.7810(S) HB :: 2.0200(S) HG21 :: 0.2810(S) HG22 :: 0.2810(S) HG23 :: 0.2810(S) 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 :: 113.9410 Ave N Shift Values>> N :: 115.42(4.75) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.31 G 0.01 HN Overlap>> 1.E148 1.E148 C Shift Assignments>> C :: 176.1270 CA :: 58.0030 CB :: 30.9780 CG :: 23.3470 CD :: 29.3130 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 :: 8.1130 HA :: 4.1150 HB2 :: 1.8170 HB3 :: 1.6500 HG2 :: 1.1820 HD2 :: 1.6900 HE2 :: 2.9400 HE3 :: 2.8000 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 :: 119.0380 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.24 K 0.17 R 0.11 F 0.07 Y 0.04 N 0.03 C Shift Assignments>> C :: 174.7750 CA :: 54.4840 CB :: 42.2070 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.1960 HA :: 4.8110 HB2 :: 2.7590 HB3 :: 2.2870 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 :: 117.2960 Ave N Shift Values>> N :: 120.65(3.86) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.35 L 0.11 F 0.04 Y 0.03 K 0.01 HN Overlap>> 1.I152 1.I152 C Shift Assignments>> C :: 172.7900 CA :: 51.5980 CB :: 40.3960 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 :: 7.6550 HA :: 5.2370 HB2 :: 3.1190 HB3 :: 2.1420 HD21 :: 6.8020 HD22 :: 7.1760 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 :: 119.8410 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.26 L 0.17 F 0.06 Y 0.05 K 0.03 C Shift Assignments>> C :: 173.9920 CA :: 52.8170 CB :: 40.7520 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 :: 8.5970 HA :: 5.2410 HB2 :: 2.7570 HB3 :: 2.9980 HD21 :: 6.8620 HD22 :: 8.5960 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.2130 ND2 :: 115.6710 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 A 0.06 R 0.04 C Shift Assignments>> C :: 176.4180 CA :: 55.8610 CB :: 41.2130 CG :: 26.5060 CD1 :: 22.8430 CD2 :: 26.5060 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 :: 8.7590 HA :: 3.4220 HB2 :: 1.6030 HB3 :: 1.1690 HG :: 0.9330 HD11 :: 0.1770 HD12 :: 0.1770 HD13 :: 0.1770 HD21 :: 0.6830 HD22 :: 0.6830 HD23 :: 0.6830 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 :: 129.5620 Ave N Shift Values>> N :: 121.86(3.9) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.39 A 0.19 C Shift Assignments>> C :: 177.5060 CA :: 54.5750 CB :: 44.0920 CG :: 25.9570 CD1 :: 22.1430 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.3460 HA :: 4.4370 HB2 :: 1.3360 HG :: 1.5670 HD11 :: 0.6660 HD12 :: 0.6660 HD13 :: 0.6660 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 :: 126.6850 Ave N Shift Values>> N :: 121.86(3.9) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 169.3180 CA :: 45.2220 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.1260 HA2 :: 3.9630 HA3 :: 3.7840 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.8310 Ave N Shift Values>> N :: 109.67(3.87) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 A 0.34 G 0.13 R 0.08 C Shift Assignments>> C :: 173.7890 CA :: 54.5570 CB :: 37.0560 CG :: 23.2750 CD :: 30.1470 CE :: 42.2400 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5180 HA :: 5.6520 HB2 :: 1.5660 HB3 :: 1.7460 HG2 :: 1.2270 HD2 :: 1.4920 HE3 :: 2.8700 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.1130 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.47 C Shift Assignments>> C :: 171.4250 CA :: 56.6710 CB :: 40.1030 CD1 :: 132.3660 CE1 :: 129.8230 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 :: 8.7630 HA :: 4.7690 HB2 :: 3.1780 HB3 :: 2.9100 HD1 :: 6.7430 HE1 :: 6.7400 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 :: 114.8220 Ave N Shift Values>> N :: 120.45(4.18) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 E 0.37 C Shift Assignments>> C :: 175.7830 CA :: 54.5750 CB :: 33.1900 CG :: 37.0140 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 :: 8.9000 HA :: 4.9420 HB2 :: 1.9100 HB3 :: 1.8450 HG2 :: 2.0910 HG3 :: 2.0070 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 :: 119.6750 Ave N Shift Values>> N :: 120.67(3.48) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 G 0.35 R 0.09 A 0.01 C Shift Assignments>> C :: 174.3860 CA :: 54.4590 CB :: 44.4190 CG :: 27.4380 CD1 :: 26.1140 CD2 :: 24.0320 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 :: 8.4860 HA :: 4.8600 HB2 :: 1.7740 HB3 :: 0.9670 HG :: 1.3780 HD11 :: 0.6860 HD12 :: 0.6860 HD13 :: 0.6860 HD21 :: 0.8300 HD22 :: 0.8300 HD23 :: 0.8300 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.1520 Ave N Shift Values>> N :: 121.86(3.9) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.3930 CA :: 56.8590 CB :: 65.1570 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5970 HA :: 5.1290 HB2 :: 3.8560 HB3 :: 3.7940 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.3410 Ave N Shift Values>> N :: 116.28(3.52) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 175.3920 CA :: 45.9840 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1730 HA2 :: 4.0650 HA3 :: 3.7600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9390 Ave N Shift Values>> N :: 109.67(3.87) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L7 1.L7 C Shift Assignments>> C :: 174.0960 CA :: 59.6760 CB :: 37.8040 CG1 :: 27.6500 CG2 :: 16.4300 CD1 :: 13.4310 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 :: 8.1890 HA :: 3.9100 HB :: 1.8630 HG12 :: 1.4300 HG13 :: 0.7400 HG21 :: 0.8730 HG22 :: 0.8730 HG23 :: 0.8730 HD11 :: 0.5740 HD12 :: 0.5740 HD13 :: 0.5740 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 :: 122.0710 Ave N Shift Values>> N :: 121.46(4.28) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.7870 CB :: 30.6620 CG :: 27.9230 CD :: 51.1480 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 :: 4.5510 HB2 :: 1.8060 HB3 :: 2.3310 HG2 :: 2.0760 HG3 :: 1.8890 HD2 :: 3.4980 HD3 :: 4.1270 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.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.3000 CB :: 31.7260 CG :: 27.5750 CD :: 50.7500 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 :: 4.2130 HB2 :: 1.8750 HB3 :: 2.0880 HG2 :: 2.0730 HG3 :: 1.9550 HD2 :: 3.6030 HD3 :: 3.7090 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.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 M 0.02 C Shift Assignments>> CA :: 50.6080 CB :: 19.8500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8930 HA :: 4.7400 HB1 :: 1.3180 HB2 :: 1.3180 HB3 :: 1.3180 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.1600 Ave N Shift Values>> N :: 123.23(3.54) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.6670 CA :: 62.6730 CB :: 32.0470 CG :: 27.5450 CD :: 51.0300 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 :: 2.4100 HB3 :: 1.7650 HG2 :: 2.0630 HG3 :: 1.9060 HD2 :: 3.8650 HD3 :: 3.2840 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.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 G 0.3 K 0.1 L 0.08 C Shift Assignments>> C :: 176.6720 CA :: 55.8490 CB :: 29.7000 CG :: 25.5510 CD :: 44.0000 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 :: 9.1480 HA :: 3.8000 HB2 :: 1.4850 HB3 :: 1.2440 HG2 :: 1.3260 HG3 :: 1.5100 HD2 :: 2.9530 HD3 :: 2.9940 HE :: 7.0010 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.9660 NE :: 85.6590 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.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 HN Overlap>> 1.V12 1.V12 C Shift Assignments>> C :: 175.1940 CA :: 46.3660 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6800 HA2 :: 3.8130 HA3 :: 4.0760 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.8930 Ave N Shift Values>> N :: 109.67(3.87) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.4930 CA :: 65.9620 CB :: 29.8000 CG1 :: 23.5120 CG2 :: 20.9420 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 :: 7.5800 HA :: 4.0990 HB :: 2.3130 HG11 :: 0.8430 HG12 :: 0.8430 HG13 :: 0.8430 HG21 :: 0.9080 HG22 :: 0.9080 HG23 :: 0.9080 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.6690 Ave N Shift Values>> N :: 121.14(4.54) 1.P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.4150 CA :: 64.2690 CB :: 31.7240 CG :: 28.9000 CD :: 50.1080 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 :: 4.4790 HB2 :: 1.5000 HB3 :: 2.3090 HG2 :: 1.9470 HG3 :: 2.1090 HD2 :: 3.7640 HD3 :: 3.9300 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.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 M 0.36 K 0.16 E 0.06 C Shift Assignments>> C :: 173.2990 CA :: 54.7550 CB :: 30.6680 CG :: 33.6000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.5940 HA :: 4.7130 HB2 :: 1.8220 HB3 :: 2.1580 HG2 :: 2.3870 HG3 :: 2.3340 HE21 :: 7.3340 HE22 :: 6.7810 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 :: 123.7580 NE2 :: 112.6320 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 175.0690 CA :: 59.1150 CB :: 39.0870 CG1 :: 28.1000 CG2 :: 18.4120 CD1 :: 14.9130 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 :: 9.2180 HA :: 4.9200 HB :: 1.7630 HG12 :: 1.3760 HG13 :: 0.9630 HG21 :: 0.5460 HG22 :: 0.5460 HG23 :: 0.5460 HD11 :: 0.7280 HD12 :: 0.7280 HD13 :: 0.7280 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.9790 Ave N Shift Values>> N :: 121.46(4.28) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.44 Q 0.01 C Shift Assignments>> C :: 176.3680 CA :: 55.8910 CB :: 32.2320 CG :: 36.8690 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.3860 HA :: 4.9240 HB2 :: 1.6970 HB3 :: 2.2150 HG2 :: 1.9370 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 :: 129.4310 Ave N Shift Values>> N :: 120.67(3.48) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.5540 CA :: 61.4150 CB :: 33.3250 CG1 :: 21.8610 CG2 :: 20.7880 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 :: 9.5140 HA :: 5.2420 HB :: 2.2120 HG11 :: 0.7690 HG12 :: 0.7690 HG13 :: 0.7690 HG21 :: 0.9840 HG22 :: 0.9840 HG23 :: 0.9840 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 :: 133.8590 Ave N Shift Values>> N :: 121.14(4.54) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.6330 CA :: 61.7200 CB :: 71.1000 CG2 :: 21.3810 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.1500 HA :: 5.2720 HB :: 3.9770 HG21 :: 1.0810 HG22 :: 1.0810 HG23 :: 1.0810 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 :: 122.3280 Ave N Shift Values>> N :: 115.42(4.75) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.47 C Shift Assignments>> C :: 172.8310 CA :: 55.8850 CB :: 41.1640 CD1 :: 130.5140 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 :: 9.6760 HA :: 5.0360 HB2 :: 2.6420 HB3 :: 3.2440 HD1 :: 7.0980 HE1 :: 7.0980 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 :: 128.6860 Ave N Shift Values>> N :: 120.45(4.18) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.24 R 0.07 D 0.05 F 0.01 C Shift Assignments>> C :: 174.6340 CA :: 53.2780 CB :: 44.6740 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 :: 8.7230 HA :: 5.2480 HB2 :: 2.9000 HB3 :: 2.3230 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.9890 Ave N Shift Values>> N :: 120.65(3.86) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.0640 CA :: 60.7000 CB :: 33.9380 CG1 :: 21.8690 CG2 :: 22.2800 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 :: 9.0900 HA :: 5.0920 HB :: 1.9010 HG11 :: 1.0400 HG12 :: 1.0400 HG13 :: 1.0400 HG21 :: 0.8660 HG22 :: 0.8660 HG23 :: 0.8660 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.3600 Ave N Shift Values>> N :: 121.14(4.54) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.25 N 0.13 K 0.1 F 0.05 Y 0.03 R 0.03 C Shift Assignments>> C :: 177.4820 CA :: 52.8320 CB :: 41.6270 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 :: 8.3540 HA :: 4.8260 HB2 :: 3.2770 HB3 :: 2.8630 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 :: 128.6870 Ave N Shift Values>> N :: 120.65(3.86) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3810 CA :: 61.1610 CB :: 62.9650 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4860 HA :: 3.8570 HB2 :: 3.9410 HB3 :: 3.8030 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.2680 Ave N Shift Values>> N :: 116.28(3.52) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.3 L 0.1 F 0.07 Y 0.06 C Shift Assignments>> C :: 175.4170 CA :: 52.9900 CB :: 39.7770 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 :: 8.2850 HA :: 4.8700 HB2 :: 2.9260 HB3 :: 2.8320 HD21 :: 6.8900 HD22 :: 7.8180 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 :: 118.0400 ND2 :: 114.7890 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 174.0640 CA :: 45.7100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1830 HA2 :: 3.3720 HA3 :: 4.1120 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.5680 Ave N Shift Values>> N :: 109.67(3.87) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.9090 CA :: 62.2590 CB :: 35.7870 CG1 :: 28.5880 CG2 :: 17.7420 CD1 :: 11.9290 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.3220 HA :: 3.7600 HB :: 2.0460 HG12 :: 1.4530 HG13 :: 1.1050 HG21 :: 0.6340 HG22 :: 0.6340 HG23 :: 0.6340 HD11 :: 0.8130 HD12 :: 0.8130 HD13 :: 0.8130 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 :: 123.7600 Ave N Shift Values>> N :: 121.46(4.28) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 G 0.33 R 0.17 A 0.04 C Shift Assignments>> C :: 173.7170 CA :: 53.2800 CB :: 43.9810 CG :: 27.5000 CD1 :: 23.6400 CD2 :: 26.5000 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 :: 8.2020 HA :: 5.0910 HB2 :: 1.3940 HB3 :: 1.7360 HG :: 1.1400 HD11 :: 0.5860 HD12 :: 0.5860 HD13 :: 0.5860 HD21 :: 0.5530 HD22 :: 0.5530 HD23 :: 0.5530 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.2970 Ave N Shift Values>> N :: 121.86(3.9) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.27 K 0.1 N 0.09 R 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 174.6710 CA :: 52.5980 CB :: 42.0080 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 :: 9.4180 HA :: 5.3370 HB2 :: 2.7510 HB3 :: 2.4050 HD21 :: 8.0530 HD22 :: 6.8920 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 :: 126.5900 ND2 :: 116.7730 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.6270 CA :: 60.4030 CB :: 33.5020 CG1 :: 21.4830 CG2 :: 19.4000 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 :: 8.7000 HA :: 5.1020 HB :: 1.6800 HG11 :: 0.7600 HG12 :: 0.7600 HG13 :: 0.7600 HG21 :: 0.0240 HG22 :: 0.0240 HG23 :: 0.0240 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 :: 125.3290 Ave N Shift Values>> N :: 121.14(4.54) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.75 T 0.24 C Shift Assignments>> C :: 172.8300 CA :: 55.9260 CB :: 67.0000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8850 HA :: 5.2580 HB2 :: 3.7010 HB3 :: 3.8260 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 :: 118.9100 Ave N Shift Values>> N :: 116.28(3.52) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 A 0.32 K 0.05 P 0.01 C Shift Assignments>> C :: 174.8300 CA :: 50.5260 CB :: 23.2730 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9020 HA :: 5.6990 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 :: 122.8610 Ave N Shift Values>> N :: 123.23(3.54) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 C Shift Assignments>> C :: 174.3370 CA :: 59.6800 CB :: 36.3350 CG1 :: 20.9980 CG2 :: 20.2170 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4840 HA :: 4.8750 HB :: 1.9500 HG11 :: 0.8510 HG12 :: 0.8510 HG13 :: 0.8510 HG21 :: 0.7890 HG22 :: 0.7890 HG23 :: 0.7890 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 :: 120.3160 Ave N Shift Values>> N :: 121.14(4.54) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.72 I 0.13 M 0.08 K 0.05 C Shift Assignments>> C :: 176.6910 CA :: 55.8680 CB :: 29.8500 CG :: 37.7000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0980 HA :: 4.8700 HB2 :: 1.6460 HB3 :: 2.4300 HG2 :: 2.3740 HG3 :: 2.1110 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 :: 130.5910 Ave N Shift Values>> N :: 120.67(3.48) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.35 C Shift Assignments>> C :: 178.2880 CA :: 59.1060 CB :: 31.8960 CG :: 24.6580 CD :: 27.7840 CE :: 41.9030 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 :: 8.7610 HA :: 3.8960 HB2 :: 1.8900 HG2 :: 1.4280 HG3 :: 1.6030 HD2 :: 1.6300 HE2 :: 2.9100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.4740 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 A 0.01 C Shift Assignments>> C :: 175.9950 CA :: 47.1110 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7320 HA2 :: 4.0570 HA3 :: 3.9010 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.6270 Ave N Shift Values>> N :: 109.67(3.87) 1.T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.1150 CA :: 62.2590 CB :: 71.5440 CG2 :: 22.1920 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.2820 HA :: 4.4800 HB :: 4.2840 HG21 :: 1.3000 HG22 :: 1.3000 HG23 :: 1.3000 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 :: 110.9910 Ave N Shift Values>> N :: 115.42(4.75) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.6060 CA :: 45.8430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4730 HA2 :: 3.6030 HA3 :: 4.1170 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.6730 Ave N Shift Values>> N :: 109.67(3.87) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.29 G 0.01 C Shift Assignments>> C :: 175.1980 CA :: 57.6640 CB :: 32.6440 CG :: 25.5320 CD :: 29.2270 CE :: 42.2070 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 :: 8.0730 HA :: 4.2000 HB2 :: 1.8610 HG2 :: 1.5500 HG3 :: 1.4950 HD2 :: 1.6990 HE2 :: 3.0740 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 :: 122.8090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S114 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 :: 174.0920 CA :: 56.7250 CB :: 68.4870 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3640 HA :: 5.8730(S) HB2 :: 3.9050 HB3 :: 3.7400 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 :: 114.8730 Ave N Shift Values>> N :: 116.28(3.52) 1.N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.32 L 0.15 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 171.7640 CA :: 51.7360 CB :: 40.8060 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 :: 8.7370 HA :: 4.9320 HB2 :: 3.1420 HB3 :: 2.6980 HD21 :: 7.2540 HD22 :: 8.1350 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.2890 ND2 :: 110.3590 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 A 0.22 R 0.05 G 0.03 C Shift Assignments>> C :: 173.6130 CA :: 54.9500 CB :: 35.1070 CG :: 22.6880 CD :: 29.3790 CE :: 42.0180 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 :: 7.9800 HA :: 4.7160 HB2 :: 1.5780 HG2 :: 0.9820 HG3 :: 1.1290 HD2 :: 1.4230 HE2 :: 2.7550 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 :: 118.1920 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 G 0.09 C Shift Assignments>> C :: 172.6250 CA :: 60.3960 CB :: 42.7020 CG1 :: 26.8870 CG2 :: 17.0240 CD1 :: 14.2000 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 :: 8.4250 HA :: 4.3780 HB :: 1.4910 HG13 :: 1.3610 HG21 :: 0.6340 HG22 :: 0.6340 HG23 :: 0.6340 HD11 :: 0.7600 HD12 :: 0.7600 HD13 :: 0.7600 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 :: 115.9550 Ave N Shift Values>> N :: 121.46(4.28) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.K123 1.K123 C Shift Assignments>> C :: 173.6750 CA :: 61.9610 CB :: 70.5700 CG2 :: 22.0770 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 :: 8.2860 HA :: 4.8280 HB :: 3.6490 HG21 :: 0.9740 HG22 :: 0.9740 HG23 :: 0.9740 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.4510 Ave N Shift Values>> N :: 115.42(4.75) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.0340 CA :: 60.0020 CB :: 39.5950 CG1 :: 27.4200 CG2 :: 17.9280 CD1 :: 13.5600 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 :: 9.6090 HA :: 4.2900 HB :: 1.7770 HG12 :: 0.9630 HG13 :: 1.2410 HG21 :: 0.9120 HG22 :: 0.9120 HG23 :: 0.9120 HD11 :: 0.5060 HD12 :: 0.5060 HD13 :: 0.5060 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.2240 Ave N Shift Values>> N :: 121.46(4.28) 1.T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.N121 1.N121 C Shift Assignments>> C :: 173.7420 CA :: 61.6520 CB :: 69.2060 CG2 :: 21.7510 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 :: 8.4900 HA :: 4.2830 HB :: 4.2830 HG21 :: 1.1740 HG22 :: 1.1740 HG23 :: 1.1740 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 :: 120.1230 Ave N Shift Values>> N :: 115.42(4.75) 1.N121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.19 F 0.06 Y 0.06 L 0.05 HN Overlap>> 1.T120 1.T120 C Shift Assignments>> C :: 174.7330 CA :: 52.6760 CB :: 38.9060 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 :: 8.4210 HA :: 4.8070 HB2 :: 2.6260 HB3 :: 2.7660 HD21 :: 7.6120 HD22 :: 6.8010 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 :: 120.1400 ND2 :: 111.5820 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.13 F 0.1 N 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.5670 CA :: 54.5470 CB :: 41.2810 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 :: 8.2970 HA :: 4.5310 HB2 :: 2.6450 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 :: 120.6250 Ave N Shift Values>> N :: 120.65(3.86) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.23 G 0.01 HN Overlap>> 1.T118 1.T118 C Shift Assignments>> C :: 177.1450 CA :: 57.1480 CB :: 32.7890 CG :: 24.6120 CD :: 29.0610 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 :: 8.2690 HA :: 4.2610 HB2 :: 1.7760 HB3 :: 1.8490 HG2 :: 1.4210 HD2 :: 1.6630 HE2 :: 2.9770 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 :: 121.3460 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.3850 CA :: 45.4580 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5760 HA2 :: 3.8910 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3790 Ave N Shift Values>> N :: 109.67(3.87) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 K 0.21 G 0.02 C Shift Assignments>> C :: 176.5970 CA :: 56.0800 CB :: 30.4990 CG :: 27.1000 CD :: 42.4500 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.6960 HA :: 4.2690 HB2 :: 1.8440 HB3 :: 1.9360 HG2 :: 1.6280 HG3 :: 1.5100 HD2 :: 3.1730 HE :: 7.4160 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.6470 NE :: 83.1400 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.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.72 G 0.18 A 0.07 C Shift Assignments>> C :: 176.9620 CA :: 54.3490 CB :: 43.3990 CD1 :: 23.2000 CD2 :: 26.0200 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 :: 8.4910 HA :: 4.5560 HB2 :: 1.6540 HB3 :: 1.4300 HD11 :: 0.8440 HD12 :: 0.8440 HD13 :: 0.8440 HD21 :: 0.8470 HD22 :: 0.8470 HD23 :: 0.8470 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.6710 CA :: 56.8450 CB :: 65.7730 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1320 HA :: 4.5160 HB2 :: 4.3400 HB3 :: 4.0520 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 :: 118.8820 Ave N Shift Values>> N :: 116.28(3.52) 1.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.14 G 0.02 C Shift Assignments>> C :: 178.7720 CA :: 60.1380 CB :: 32.3000 CG :: 24.7210 CD :: 29.2880 CE :: 42.2040 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 :: 8.8570 HA :: 3.9510 HB2 :: 1.9060 HB3 :: 1.8000 HG2 :: 1.4100 HG3 :: 1.5030 HD2 :: 1.6880 HE2 :: 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 :: 121.3040 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 E 0.35 K 0.03 C Shift Assignments>> C :: 179.0680 CA :: 60.1110 CB :: 29.1530 CG :: 37.2270 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.6890 HA :: 4.0630 HB2 :: 2.0400 HB3 :: 1.9250 HG2 :: 2.2710 HG3 :: 2.3930 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.3480 Ave N Shift Values>> N :: 120.67(3.48) 1.D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 K 0.18 L 0.17 D 0.12 I 0.04 R 0.01 N 0.01 C Shift Assignments>> C :: 179.3970 CA :: 57.4040 CB :: 41.1180 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9110 HA :: 4.4680 HB2 :: 2.9940 HB3 :: 2.6300 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 :: 121.6760 Ave N Shift Values>> N :: 120.65(3.86) 1.I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.5240 CA :: 65.7750 CB :: 38.3260 CG1 :: 29.7450 CG2 :: 17.1310 CD1 :: 13.6400 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 :: 8.3070 HA :: 3.6170 HB :: 1.9660 HG12 :: 1.7290 HG13 :: 0.8900 HG21 :: 0.8890 HG22 :: 0.8890 HG23 :: 0.8890 HD11 :: 0.7880 HD12 :: 0.7880 HD13 :: 0.7880 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 :: 122.5880 Ave N Shift Values>> N :: 121.46(4.28) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.35 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.9670 CA :: 59.7270 CB :: 29.4200 CG :: 36.5410 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 :: 8.1270 HA :: 3.8960 HB2 :: 2.0660 HG2 :: 2.2570 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.1770 Ave N Shift Values>> N :: 120.67(3.48) 1.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.15 G 0.01 C Shift Assignments>> C :: 178.7400 CA :: 59.6310 CB :: 32.5360 CG :: 25.0380 CD :: 29.5000 CE :: 42.1610 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 :: 7.8820 HA :: 4.1350 HB2 :: 1.9950 HG2 :: 1.4340 HG3 :: 1.6240 HD2 :: 1.7270 HE2 :: 2.9870 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 :: 119.7450 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 A 0.01 HN Overlap>> 1.A138 1.A138 C Shift Assignments>> C :: 179.4330 CA :: 59.1210 CB :: 32.7400 CG :: 32.8490 CE :: 17.6590 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 :: 8.0240 HA :: 4.2370 HB2 :: 2.3300 HB3 :: 2.3820 HG2 :: 2.6360 HG3 :: 2.7380 HE1 :: 2.2900 HE2 :: 2.2900 HE3 :: 2.2900 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 :: 120.1620 Ave N Shift Values>> N :: 120.09(3.57) 1.V135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.1990 CA :: 67.0320 CB :: 31.8980 CG1 :: 22.7860 CG2 :: 20.9030 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 :: 8.5820 HA :: 3.4500 HB :: 2.0940 HG11 :: 0.9850 HG12 :: 0.9850 HG13 :: 0.9850 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 :: 121.1950 Ave N Shift Values>> N :: 121.14(4.54) 1.A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.03 HN Overlap>> 1.L7 1.L7 C Shift Assignments>> C :: 181.4080 CA :: 55.0300 CB :: 18.0570 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0810 HA :: 4.2090 HB1 :: 1.5270 HB2 :: 1.5270 HB3 :: 1.5270 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1360 Ave N Shift Values>> N :: 123.23(3.54) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.4 M 0.03 K 0.02 C Shift Assignments>> C :: 178.1160 CA :: 59.4850 CB :: 30.0380 CG :: 37.4150 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 :: 8.4760 HA :: 4.0550 HB2 :: 2.1630 HB3 :: 2.3020 HG2 :: 2.3680 HG3 :: 2.5640 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 :: 119.9030 Ave N Shift Values>> N :: 120.67(3.48) 1.A138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 I 0.03 HN Overlap>> 1.M134 1.M134 C Shift Assignments>> C :: 180.1790 CA :: 55.2280 CB :: 18.5450 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9900 HA :: 4.0190 HB1 :: 1.5030 HB2 :: 1.5030 HB3 :: 1.5030 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.2090 Ave N Shift Values>> N :: 123.23(3.54) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.25 K 0.09 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.0410 CA :: 58.8800 CB :: 29.3940 CG :: 36.5450 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 :: 7.7420 HA :: 4.0790 HB2 :: 2.1480 HB3 :: 2.0650 HG2 :: 2.2800 HG3 :: 2.3750 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.1190 Ave N Shift Values>> N :: 120.67(3.48) 1.K140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.17 G 0.01 C Shift Assignments>> C :: 178.2150 CA :: 58.8930 CB :: 32.2500 CG :: 24.5670 CD :: 29.2790 CE :: 42.1430 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 :: 7.7950 HA :: 3.9500 HB2 :: 1.6310 HB3 :: 1.7060 HG2 :: 0.7630 HG3 :: 1.1840 HD2 :: 1.4450 HD3 :: 1.4800 HE2 :: 2.7620 HE3 :: 2.7300 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 :: 120.5880 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 F 0.42 C Shift Assignments>> C :: 175.1380 CA :: 58.1760 CB :: 39.0430 CD1 :: 131.8950 CE1 :: 132.4000 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 :: 7.7300 HA :: 4.8820 HB2 :: 3.5640 HB3 :: 2.5490 HD1 :: 7.3010 HE1 :: 6.7550 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.8640 Ave N Shift Values>> N :: 120.45(4.18) 1.K142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.07 G 0.02 C Shift Assignments>> C :: 178.3180 CA :: 60.3310 CB :: 32.8090 CG :: 24.3050 CD :: 29.6000 CE :: 42.1360 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 :: 7.2190 HA :: 4.1550 HB2 :: 1.8850 HB3 :: 2.1110 HG2 :: 1.4590 HD2 :: 1.7300 HE2 :: 2.9810 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 :: 121.8750 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.36 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.0950 CA :: 59.5140 CB :: 29.2420 CG :: 36.6330 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 :: 8.6520 HA :: 4.1190 HB2 :: 2.0520 HG2 :: 2.2530 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.5090 Ave N Shift Values>> N :: 120.67(3.48) 1.E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.29 K 0.08 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.0630 CA :: 59.3920 CB :: 29.4950 CG :: 36.5270 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 :: 8.3840 HA :: 4.0950 HB2 :: 2.1570 HG2 :: 2.4100 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 :: 120.9370 Ave N Shift Values>> N :: 120.67(3.48) 1.D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 D 0.17 L 0.14 N 0.05 I 0.04 K 0.03 C Shift Assignments>> C :: 178.6890 CA :: 56.7720 CB :: 40.1440 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 :: 8.8120 HA :: 4.3980 HB2 :: 2.6770 HB3 :: 3.0200 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 :: 120.9090 Ave N Shift Values>> N :: 120.65(3.86) 1.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.29 K 0.08 Q 0.02 M 0.02 C Shift Assignments>> C :: 178.7990 CA :: 59.0830 CB :: 29.3910 CG :: 36.6640 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 :: 8.3440 HA :: 4.0960 HB2 :: 2.0680 HB3 :: 2.1470 HG2 :: 2.4090 HG3 :: 2.2580 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.1000 Ave N Shift Values>> N :: 120.67(3.48) 1.K147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.17 G 0.01 HN Overlap>> 1.Y47 1.Y47 C Shift Assignments>> C :: 179.2630 CA :: 58.9490 CB :: 32.4830 CG :: 24.9870 CD :: 29.1810 CE :: 42.1270 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 :: 7.8190 HA :: 4.0670 HB2 :: 1.9260 HG2 :: 1.4630 HG3 :: 1.6160 HD2 :: 1.7000 HE2 :: 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 :: 119.5640 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.15 K 0.13 Q 0.07 M 0.03 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> C :: 178.6080 CA :: 58.1920 CB :: 29.4650 CG :: 36.2590 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 :: 8.0420 HA :: 4.1830 HB2 :: 2.0670 HG2 :: 2.2940 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 :: 119.0950 Ave N Shift Values>> N :: 120.67(3.48) 1.S149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.8630 CA :: 60.8170 CB :: 63.1640 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2100 HA :: 4.1960 HB2 :: 3.9430 HB3 :: 3.9950 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 :: 114.9000 Ave N Shift Values>> N :: 116.28(3.52) 1.Q150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.36 E 0.11 R 0.07 M 0.03 I 0.01 C Shift Assignments>> C :: 176.6930 CA :: 56.8600 CB :: 28.6780 CG :: 33.9820 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 :: 7.8330 HA :: 4.2380 HB2 :: 2.1710 HB3 :: 2.0450 HG2 :: 2.4310 HG3 :: 2.5230 HE21 :: 7.5260 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 :: 119.1690 NE2 :: 112.0490 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.11 K 0.11 C Shift Assignments>> C :: 176.5660 CA :: 57.4300 CB :: 30.6110 CG :: 27.4670 CD :: 43.4060 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.6810 HA :: 4.1970 HB2 :: 1.9180 HB3 :: 1.8470 HG2 :: 1.7050 HG3 :: 1.6200 HD2 :: 3.1980 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.0920 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.I152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.N69 1.N69 C Shift Assignments>> C :: 175.8320 CA :: 61.0910 CB :: 38.3940 CG1 :: 27.2920 CG2 :: 17.6680 CD1 :: 12.8300 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 :: 7.6800 HA :: 4.0860 HB :: 1.8790 HG12 :: 1.4780 HG13 :: 1.1860 HG21 :: 0.9120 HG22 :: 0.9120 HG23 :: 0.9120 HD11 :: 0.7900 HD12 :: 0.7900 HD13 :: 0.7900 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.7620 Ave N Shift Values>> N :: 121.46(4.28) 1.A153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.16 C Shift Assignments>> C :: 177.6990 CA :: 53.1170 CB :: 18.9540 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2950 HA :: 4.3030 HB1 :: 1.4130 HB2 :: 1.4130 HB3 :: 1.4130 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.3140 Ave N Shift Values>> N :: 123.23(3.54) 1.S154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5460 CA :: 58.2490 CB :: 63.9500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0800 HA :: 4.4590 HB2 :: 3.8930 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 :: 114.4040 Ave N Shift Values>> N :: 116.28(3.52) 1.K155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 G 0.01 C Shift Assignments>> C :: 175.7970 CA :: 56.0520 CB :: 32.9940 CG :: 24.7530 CD :: 29.0410 CE :: 42.1930 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 :: 8.4630 HA :: 4.3950 HB2 :: 1.9100 HB3 :: 1.7100 HG2 :: 1.4230 HD2 :: 1.6670 HE2 :: 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 :: 122.4230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 E 0.15 Y 0.1 M 0.1 F 0.07 D 0.04 K 0.01 L 0.01 C Shift Assignments>> C :: 173.9780 CA :: 53.8160 CB :: 36.9610 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 :: 8.7720 HA :: 4.5510 HB2 :: 2.8460 HD21 :: 6.6020 HD22 :: 6.8020 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 :: 117.4590 ND2 :: 109.6000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 Q 0.31 E 0.19 K 0.07 C Shift Assignments>> C :: 174.8240 CA :: 55.0970 CB :: 31.0660 CG :: 34.5070 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 :: 8.5470 HA :: 4.7240 HB2 :: 2.1950 HB3 :: 1.6450 HG2 :: 2.1880 HG3 :: 2.4380 HE21 :: 6.6940 HE22 :: 7.5820 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 :: 117.4050 NE2 :: 108.6860 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 G 0.43 R 0.02 A 0.01 C Shift Assignments>> C :: 174.7960 CA :: 53.0260 CB :: 44.4190 CG :: 26.7000 CD1 :: 24.2000 CD2 :: 25.6000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0000 HA :: 4.9120 HB2 :: 1.3830 HB3 :: 1.8340 HG :: 1.7100 HD11 :: 0.7600 HD12 :: 0.7600 HD13 :: 0.7600 HD21 :: 0.4800 HD22 :: 0.4800 HD23 :: 0.4800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.9970 Ave N Shift Values>> N :: 121.86(3.9) 1.E159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.48 M 0.44 Q 0.05 C Shift Assignments>> C :: 175.6310 CA :: 56.6060 CB :: 32.1450 CG :: 36.0360 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 :: 8.0380 HA :: 4.6540 HB2 :: 2.3500 HG2 :: 2.3300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.S160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.6830 CA :: 58.3110 CB :: 64.4770 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6710 HA :: 4.3210 HB2 :: 3.7690 HB3 :: 3.9550 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.9330 Ave N Shift Values>> N :: 116.28(3.52) 1.I161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.6110 CA :: 60.1970 CB :: 40.8840 CG1 :: 27.0070 CG2 :: 17.2500 CD1 :: 13.7730 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 :: 7.5190 HA :: 4.2040 HB :: 1.6940 HG12 :: 1.3190 HG13 :: 1.0090 HG21 :: 0.7730 HG22 :: 0.7730 HG23 :: 0.7730 HD11 :: 0.7570 HD12 :: 0.7570 HD13 :: 0.7570 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.1810 Ave N Shift Values>> N :: 121.46(4.28) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 177.3570 CA :: 52.2900 CB :: 19.2830 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1940 HA :: 4.1040 HB1 :: 1.2740 HB2 :: 1.2740 HB3 :: 1.2740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.1460 Ave N Shift Values>> N :: 123.23(3.54) 1.Y163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.9590 CA :: 60.4150 CB :: 38.0720 CD1 :: 133.0470 CE1 :: 118.0800 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 :: 8.8830 HA :: 4.1940 HB2 :: 3.0040 HB3 :: 2.8050 HD1 :: 7.0650 HE1 :: 6.7520 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.3770 Ave N Shift Values>> N :: 120.52(4.2) 1.S164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5870 CA :: 58.7780 CB :: 63.4670 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3640 HA :: 4.1770 HB2 :: 3.7870 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 :: 115.4180 Ave N Shift Values>> N :: 116.28(3.52) 1.L165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 177.5190 CA :: 55.1510 CB :: 42.1500 CG :: 26.9350 CD1 :: 23.5840 CD2 :: 24.8760 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8140 HA :: 4.2890 HB2 :: 1.5770 HB3 :: 1.6180 HG :: 1.5720 HD11 :: 0.8400 HD12 :: 0.8400 HD13 :: 0.8400 HD21 :: 0.9010 HD22 :: 0.9010 HD23 :: 0.9010 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.1860 Ave N Shift Values>> N :: 121.86(3.9) 1.K166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.21 G 0.01 C Shift Assignments>> C :: 176.4070 CA :: 57.0080 CB :: 32.7400 CG :: 24.7760 CD :: 29.0650 CE :: 42.0830 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 :: 7.9300 HA :: 4.1150 HB2 :: 1.6900 HB3 :: 1.6260 HG2 :: 1.3700 HG3 :: 1.2870 HD2 :: 1.6060 HE2 :: 2.9780 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.4040 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.19 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 175.2500 CA :: 53.3950 CB :: 38.8280 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 :: 8.2710 HA :: 4.6780 HB2 :: 2.6490 HB3 :: 2.7650 HD21 :: 6.7840 HD22 :: 7.4990 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 :: 118.8800 ND2 :: 112.7050 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.5440 CA :: 62.0570 CB :: 69.8670 CG2 :: 21.5920 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 :: 7.9920 HA :: 4.2970 HB :: 4.2000 HG21 :: 1.1620 HG22 :: 1.1620 HG23 :: 1.1620 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 :: 114.3070 Ave N Shift Values>> N :: 115.42(4.75) 1.I169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L10 1.L10 1.L9 1.L9 C Shift Assignments>> C :: 176.2370 CA :: 61.2370 CB :: 38.6360 CG1 :: 27.1970 CG2 :: 17.5550 CD1 :: 12.9910 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 :: 8.1110 HA :: 4.1860 HB :: 1.8650 HG12 :: 1.4420 HG13 :: 1.1530 HG21 :: 0.8900 HG22 :: 0.8900 HG23 :: 0.8900 HD11 :: 0.8190 HD12 :: 0.8190 HD13 :: 0.8190 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 :: 122.9240 Ave N Shift Values>> N :: 121.46(4.28) 1.S170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5590 CA :: 58.2060 CB :: 63.8730 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3410 HA :: 4.4520 HB2 :: 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 :: 119.7580 Ave N Shift Values>> N :: 116.28(3.52) 1.E171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.13 K 0.09 Q 0.07 I 0.05 C Shift Assignments>> C :: 176.0460 CA :: 56.7340 CB :: 30.1980 CG :: 36.3790 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 :: 8.4630 HA :: 4.2820 HB2 :: 1.9190 HB3 :: 2.0730 HG2 :: 2.2480 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 :: 123.4140 Ave N Shift Values>> N :: 120.67(3.48) 1.A172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 177.0790 CA :: 52.4650 CB :: 19.3980 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2580 HA :: 4.3220 HB1 :: 1.3730 HB2 :: 1.3730 HB3 :: 1.3730 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.8860 Ave N Shift Values>> N :: 123.23(3.54) 1.G173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.2190 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8990 HA2 :: 3.7210 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.4890 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 163 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 170 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 173 #Suspicious: 0 C Shift Results: #Consistent: 729 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent:1119 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 176 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L15 CB = 48.6450(S), Expected = 42.31, Std = 1.8800, ChiSquare = 7.5255e-04 1.S16 H = 10.6720(S), Expected = 8.28, Std = 0.5900, ChiSquare = 5.0298e-05 1.M26 HB3 = 0.7100(S), Expected = 1.99, Std = 0.3400, ChiSquare = 1.6675e-04 1.P37 CB = 36.4380(S), Expected = 31.85, Std = 1.1800, ChiSquare = 1.0102e-04 1.S41 HA = 6.0190(S), Expected = 4.48, Std = 0.4000, ChiSquare = 1.1933e-04 1.I56 HB = 0.5000(S), Expected = 1.78, Std = 0.2900, ChiSquare = 1.0158e-05 1.E60 HA = 5.8390(S), Expected = 4.25, Std = 0.4100, ChiSquare = 1.0636e-04 1.R63 Typing: Mistyped 1.R63 CD = 39.7250(S), Expected = 43.16, Std = 0.8800, ChiSquare = 9.4847e-05 1.T66 HA = 2.7810(S), Expected = 4.46, Std = 0.4800, ChiSquare = 4.6891e-04 1.T66 HB = 2.0200(S), Expected = 4.17, Std = 0.3300, ChiSquare = 7.2616e-11 1.T66 HG21 = 0.2810(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8788e-04 1.T66 HG22 = 0.2810(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8788e-04 1.T66 HG23 = 0.2810(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.8788e-04 1.S114 HA = 5.8730(S), Expected = 4.48, Std = 0.4000, ChiSquare = 4.9676e-04