Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.P1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD3 :: 3.8000 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.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.53 D 0.19 C 0.08 F 0.06 Y 0.06 L 0.05 C Shift Assignments>> CA :: 52.8000 CB :: 38.9820 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.7460 HB2 :: 2.7240 HB3 :: 2.8590 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 C 0.31 R 0.06 C Shift Assignments>> CA :: 53.9380 CB :: 32.6850 CG :: 24.3760 CD :: 29.4760 CE :: 41.9800 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 :: 8.4330 HA :: 4.5640 HB2 :: 1.6640 HB3 :: 1.7760 HG3 :: 1.3830 HD3 :: 1.6060 HE3 :: 2.8500 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 :: 122.3160 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 62.9060 CB :: 32.1820 CG :: 27.2250 CD :: 50.5780 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 :: 4.4370 HB2 :: 1.8910 HB3 :: 2.3100 HG3 :: 1.8510 HD2 :: 3.5270 HD3 :: 3.6850 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.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.38 R 0.09 G 0.01 HN Overlap>> 1.I49 1.I49 C Shift Assignments>> CA :: 55.7410 CB :: 33.4780 CG :: 24.7050 CD :: 29.2050 CE :: 42.2410 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 :: 8.4150 HA :: 4.4700 HB2 :: 1.7980 HB3 :: 1.8540 HG3 :: 1.4620 HD3 :: 1.6920 HE3 :: 3.0000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.5970 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.16 G 0.03 C Shift Assignments>> CA :: 56.2410 CB :: 30.6840 CG :: 27.9070 CD :: 42.9840 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 :: 8.4700 HA :: 4.1580 HB2 :: 1.4510 HB3 :: 1.6070 HG2 :: 1.3330 HG3 :: 1.4460 HD2 :: 2.9640 HD3 :: 3.0420 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.5100 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.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 C 0.27 K 0.18 R 0.15 E 0.02 M 0.01 C Shift Assignments>> CA :: 54.8160 CB :: 27.4620 CG :: 33.7270 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 :: 8.3940 HA :: 4.5550 HB2 :: 2.0350 HB3 :: 2.3810 HG2 :: 2.5010 HG3 :: 2.7080 HE21 :: 7.7420 HE22 :: 7.1620 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 :: 124.4500 NE2 :: 112.5600 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 64.7460 CB :: 69.2090 CG2 :: 21.9950 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 :: 8.0230 HA :: 4.0260 HB :: 4.2860 HG21 :: 1.2530 HG22 :: 1.2530 HG23 :: 1.2530 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.5830 Ave N Shift Values>> N :: 115.42(4.75) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.2 E 0.18 F 0.14 N 0.07 I 0.05 M 0.04 D 0.02 L 0.01 K 0.01 C Shift Assignments>> CA :: 56.5760 CB :: 37.4650 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.5570 HB2 :: 2.7880 HB3 :: 2.9450 HD21 :: 7.8250 HD22 :: 7.1140 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 113.5260 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.19 K 0.13 I 0.11 Q 0.11 M 0.01 HN Overlap>> 1.F105 1.F105 C Shift Assignments>> CA :: 60.5200 CB :: 29.4430 CG :: 34.9520 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 :: 8.8230 HA :: 3.8950 HB2 :: 1.8710 HB3 :: 2.3210 HG2 :: 2.3270 HG3 :: 2.7340 HE21 :: 7.8430 HE22 :: 6.8780 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.6500 NE2 :: 111.1080 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.36 R 0.05 C Shift Assignments>> CA :: 58.5750 CB :: 41.2430 CG :: 28.2250 CD1 :: 25.7240 CD2 :: 23.5560 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 :: 8.1470 HA :: 4.1430 HB2 :: 1.6160 HB3 :: 1.9760 HG :: 1.6360 HD11 :: 0.7680 HD12 :: 0.7680 HD13 :: 0.7680 HD21 :: 0.8500 HD22 :: 0.8500 HD23 :: 0.8500 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.4000 Ave N Shift Values>> N :: 121.86(3.9) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.2 K 0.2 E 0.11 I 0.06 R 0.03 C Shift Assignments>> CA :: 59.3180 CB :: 28.4100 CG :: 34.4510 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 :: 8.4820 HA :: 4.1670 HB2 :: 2.1980 HB3 :: 2.3280 HG2 :: 2.4960 HG3 :: 2.5910 HE21 :: 7.6070 HE22 :: 6.9140 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 :: 119.1810 NE2 :: 112.2700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> CA :: 61.8330 CB :: 38.4690 CD1 :: 133.4450 CD2 :: 133.4520 CE1 :: 118.0310 CE2 :: 118.0340 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 :: 7.9210 HA :: 4.2520 HB2 :: 3.2210 HB3 :: 3.3060 HD1 :: 7.0450 HD2 :: 7.0430 HE1 :: 6.6440 HE2 :: 6.6450 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.3390 Ave N Shift Values>> N :: 120.52(4.2) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.24 R 0.13 K 0.02 C Shift Assignments>> CA :: 58.5660 CB :: 41.4640 CG :: 28.1850 CD1 :: 26.9750 CD2 :: 23.7710 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 :: 8.5240 HA :: 3.9460 HB2 :: 1.6090 HB3 :: 2.4890 HG :: 2.0350 HD11 :: 1.0960 HD12 :: 1.0960 HD13 :: 1.0960 HD21 :: 1.0250 HD22 :: 1.0250 HD23 :: 1.0250 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.5350 Ave N Shift Values>> N :: 121.86(3.9) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.36 R 0.19 G 0.02 HN Overlap>> 1.V38 1.V38 C Shift Assignments>> CA :: 58.0750 CB :: 42.7140 CG :: 27.4450 CD1 :: 26.2050 CD2 :: 22.6140 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 :: 7.8500 HA :: 4.3690 HB2 :: 1.7010 HB3 :: 2.1050 HG :: 1.5440 HD11 :: 1.0080 HD12 :: 1.0080 HD13 :: 1.0080 HD21 :: 1.0330 HD22 :: 1.0330 HD23 :: 1.0330 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.2630 Ave N Shift Values>> N :: 121.86(3.9) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.38 K 0.12 G 0.05 C Shift Assignments>> CA :: 58.6890 CB :: 30.9240 CG :: 28.1140 CD :: 43.2470 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 :: 8.8920 HA :: 4.0110 HB3 :: 1.9260 HG2 :: 1.6920 HG3 :: 1.8640 HD3 :: 3.2030 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 :: 115.0890 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.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> CA :: 64.1840 CB :: 32.4330 CG1 :: 20.9710 CG2 :: 20.8650 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 :: 8.0840 HA :: 4.0840 HB :: 1.1550 HG11 :: 0.7320 HG12 :: 0.7320 HG13 :: 0.7320 HG21 :: 0.6470 HG22 :: 0.6470 HG23 :: 0.6470 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.1110 Ave N Shift Values>> N :: 121.14(4.54) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 HN Overlap>> 1.L96 1.L96 C Shift Assignments>> CA :: 68.5240 CB :: 30.4770 CG1 :: 23.6370 CG2 :: 21.7220 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 :: 7.4700 HA :: 3.3000 HB :: 2.7300 HG11 :: 0.8350 HG12 :: 0.8350 HG13 :: 0.8350 HG21 :: 0.8400 HG22 :: 0.8400 HG23 :: 0.8400 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 :: 120.1670 Ave N Shift Values>> N :: 121.14(4.54) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.36 R 0.02 C Shift Assignments>> CA :: 58.8380 CB :: 41.2470 CG :: 28.1610 CD1 :: 25.1400 CD2 :: 25.1460 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 :: 9.4510 HA :: 4.2880 HB2 :: 1.9770 HB3 :: 2.4440 HG :: 1.9960 HD11 :: 1.1970 HD12 :: 1.1970 HD13 :: 1.1970 HD21 :: 1.0910 HD22 :: 1.0910 HD23 :: 1.0910 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6790 Ave N Shift Values>> N :: 121.86(3.9) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 V 0.18 K 0.12 W 0.09 R 0.07 M 0.06 H 0.05 E 0.05 Q 0.04 P 0.01 C Shift Assignments>> CA :: 59.8460 CB :: 32.4350 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 :: 6.5290 HA :: 3.9430 HB2 :: 1.5930 HB3 :: 1.8100 HG3 :: 1.4060 HD3 :: 1.7400 HE3 :: 2.9930 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 :: 115.2840 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 66.8950 CB :: 68.6520 CG2 :: 21.4230 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 :: 7.3520 HA :: 4.0180 HB :: 4.3550 HG21 :: 1.3260 HG22 :: 1.3260 HG23 :: 1.3260 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.2560 Ave N Shift Values>> N :: 115.42(4.75) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.35 L 0.09 K 0.02 G 0.01 C Shift Assignments>> CA :: 58.8110 CB :: 42.4530 CG :: 29.1730 CD1 :: 26.1720 CD2 :: 24.6550 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0540 HA :: 4.0700 HB2 :: 1.6860 HB3 :: 2.1770 HG :: 2.0210 HD11 :: 1.0150 HD12 :: 1.0150 HD13 :: 1.0150 HD21 :: 1.0140 HD22 :: 1.0140 HD23 :: 1.0140 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.4370 Ave N Shift Values>> N :: 121.86(3.9) 1.W23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> CA :: 60.9790 CB :: 29.4480 CD1 :: 127.8620 CE3 :: 118.9470 CZ2 :: 114.6100 CZ3 :: 121.0520 CH2 :: 125.1780 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.2290 HA :: 3.7600 HB2 :: 3.2620 HB3 :: 3.6140 HD1 :: 7.1210 HE1 :: 10.3860 HE3 :: 7.5100 HZ2 :: 7.6110 HZ3 :: 6.8520 HH2 :: 7.4240 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 117.1670 NE1 :: 131.5490 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.37 R 0.07 C Shift Assignments>> CA :: 55.2930 CB :: 32.9360 CG :: 24.6370 CD :: 29.1640 CE :: 41.7380 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 :: 7.1120 HA :: 4.3980 HB2 :: 1.9840 HB3 :: 2.0830 HG2 :: 1.7170 HG3 :: 1.7860 HD3 :: 1.8000 HE3 :: 3.0820 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 :: 109.2750 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 H 0.27 W 0.23 C Shift Assignments>> CA :: 59.0420 CB :: 32.4470 CD2 :: 118.1250 CE1 :: 137.0460 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.6220 HA :: 4.1040 HB2 :: 3.0730 HB3 :: 3.1530 HD2 :: 7.0110 HE1 :: 6.9840 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 123.5840 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.23 R 0.19 Q 0.16 M 0.02 C Shift Assignments>> CA :: 58.7930 CB :: 27.9350 CG :: 32.5840 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 :: 8.4710 HA :: 4.2810 HB2 :: 1.8070 HB3 :: 2.0030 HG2 :: 1.8440 HG3 :: 1.9260 HE21 :: 7.0500 HE22 :: 6.7080 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 :: 128.1700 NE2 :: 111.2140 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 F 0.31 Y 0.27 C Shift Assignments>> CA :: 52.8000 CB :: 37.4810 CD1 :: 130.5170 CD2 :: 130.5070 CE1 :: 131.9060 CE2 :: 131.9060 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 :: 11.5500(S) HA :: 5.2980 HB2 :: 3.2840 HB3 :: 3.7670 HD1 :: 7.4100 HD2 :: 7.4060 HE1 :: 7.5170 HE2 :: 7.5230 HZ :: 6.9870 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.5460 Ave N Shift Values>> N :: 120.45(4.18) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 L 0.25 C 0.13 M 0.05 V 0.04 T 0.02 C Shift Assignments>> CA :: 55.0560 CB :: 20.9650 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0410 HA :: 4.1780 HB1 :: 1.6170 HB2 :: 1.6170 HB3 :: 1.6170 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.4330 Ave N Shift Values>> N :: 123.23(3.54) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 C Shift Assignments>> CA :: 61.1600 CB :: 26.9010 CD1 :: 127.7260 CE3 :: 120.9950 CZ2 :: 114.3200 CZ3 :: 122.0310 CH2 :: 124.9650 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.7000 HA :: 4.2430 HB2 :: 3.3600 HB3 :: 3.5750 HD1 :: 7.7710 HE1 :: 10.5500 HE3 :: 7.4600 HZ2 :: 7.4750 HZ3 :: 7.1590 HH2 :: 7.2120 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.3100 NE1 :: 130.7600 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P30 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> CA :: 64.4960 CB :: 31.2270 CG :: 26.2240 CD :: 50.2380 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 :: 4.0740 HB2 :: -0.2300(S) HB3 :: 1.4390 HG2 :: -0.7090(A) HG3 :: 0.7010(S) HD2 :: 1.7320(S) HD3 :: 2.9350 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.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> CA :: 57.3550 CB :: 40.2320 CD1 :: 132.3860 CD2 :: 132.3860 CE1 :: 130.7890 CE2 :: 130.8000 CZ :: 129.9950 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 :: 8.2130 HA :: 4.9550 HB2 :: 2.6730 HB3 :: 3.9750 HD1 :: 7.3220 HD2 :: 7.3180 HE1 :: 7.0980 HE2 :: 7.0950 HZ :: 7.1410 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 :: 113.0600 Ave N Shift Values>> N :: 120.45(4.18) 1.Q32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 K 0.28 Q 0.26 M 0.06 R 0.05 E 0.02 C Shift Assignments>> CA :: 57.9870 CB :: 29.1640 CG :: 33.2010 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 :: 6.9470 HA :: 3.7300 HB2 :: 1.8470 HB3 :: 1.9080 HG2 :: 0.2300(S) HG3 :: 2.0710 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.0320 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 Q 0.24 C 0.22 R 0.14 M 0.08 C Shift Assignments>> CA :: 53.4900 CB :: 28.4760 CG :: 32.7210 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 :: 7.3390 HA :: 4.9240 HB2 :: 1.9550 HB3 :: 2.2970 HG2 :: 2.1750 HG3 :: 2.2880 HE21 :: 7.4800 HE22 :: 7.0940 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 112.9520 NE2 :: 111.8660 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> CA :: 62.8400 CB :: 32.2280 CG :: 27.1980 CD :: 50.7700 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 :: 4.1980 HB2 :: 1.5910 HB3 :: 2.3120 HG3 :: 1.9780 HD2 :: 3.4880 HD3 :: 3.8400 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.V35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> CA :: 64.4960 CB :: 31.9730 CG1 :: 22.2220 CG2 :: 19.4590 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 :: 8.6860 HA :: 3.0530 HB :: 1.2260 HG11 :: 0.1620 HG12 :: 0.1620 HG13 :: 0.1620 HG21 :: -0.6170(S) HG22 :: -0.6170(S) HG23 :: -0.6170(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.5660 Ave N Shift Values>> N :: 121.14(4.54) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.29 L 0.08 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> CA :: 51.7390 CB :: 39.9820 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 :: 7.8270 HA :: 4.7380 HB2 :: 2.4030 HB3 :: 2.9090 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 :: 111.4240 Ave N Shift Values>> N :: 120.65(3.86) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.24 C 0.05 L 0.02 I 0.01 V 0.01 C Shift Assignments>> CA :: 54.7410 CB :: 19.4710 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1780 HA :: 3.4350 HB1 :: 1.3710 HB2 :: 1.3710 HB3 :: 1.3710 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.5440 Ave N Shift Values>> N :: 123.23(3.54) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> CA :: 65.4970 CB :: 31.6630 CG1 :: 22.1440 CG2 :: 20.6960 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 :: 7.8800 HA :: 3.8110 HB :: 2.1730 HG11 :: 1.0510 HG12 :: 1.0510 HG13 :: 1.0510 HG21 :: 0.9270 HG22 :: 0.9270 HG23 :: 0.9270 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.2400 Ave N Shift Values>> N :: 121.14(4.54) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.07 C Shift Assignments>> CA :: 58.5680 CB :: 32.7080 CG :: 25.3920 CD :: 28.9500 CE :: 41.7380 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 :: 7.8370 HA :: 3.9330 HB2 :: 1.6300 HB3 :: 1.7240 HG2 :: 1.3600 HG3 :: 1.4840 HD3 :: 1.6820 HE3 :: 2.9850 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 :: 122.5310 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.22 A 0.11 R 0.04 G 0.01 C Shift Assignments>> CA :: 54.5640 CB :: 42.2330 CG :: 26.7250 CD1 :: 25.4740 CD2 :: 22.2220 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 :: 7.8390 HA :: 4.2110 HB3 :: 1.3400 HG :: 1.6770 HD11 :: 0.4640 HD12 :: 0.4640 HD13 :: 0.4640 HD21 :: 0.8900 HD22 :: 0.8900 HD23 :: 0.8900 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 :: 113.9670 Ave N Shift Values>> N :: 121.86(3.9) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.23 E 0.16 M 0.12 Y 0.06 F 0.04 K 0.03 Q 0.01 D 0.01 C Shift Assignments>> CA :: 53.7570 CB :: 36.4060 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 :: 7.4130 HA :: 4.2380 HB2 :: 2.6290 HB3 :: 3.2980 HD21 :: 6.7130 HD22 :: 7.5500 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 :: 116.3700 ND2 :: 111.5000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 A 0.22 C 0.16 G 0.01 C Shift Assignments>> CA :: 50.9880 CB :: 41.4830 CG :: 25.4740 CD1 :: 25.9490 CD2 :: 22.7220 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 :: 8.1600 HA :: 5.0840 HB2 :: 1.4370 HB3 :: 1.4960 HG :: 1.1980 HD11 :: -0.0200 HD12 :: -0.0200 HD13 :: -0.0200 HD21 :: 0.9680 HD22 :: 0.9680 HD23 :: 0.9680 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.1400 Ave N Shift Values>> N :: 121.86(3.9) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> CA :: 64.4960 CB :: 31.5720 CG :: 27.4040 CD :: 50.7470 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 :: 4.3530 HB2 :: 1.9850 HB3 :: 2.3380 HG2 :: 1.9500 HG3 :: 2.0360 HD2 :: 3.6720 HD3 :: 3.8810 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.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.21 L 0.15 F 0.11 Y 0.09 C 0.07 K 0.02 C Shift Assignments>> CA :: 54.2400 CB :: 40.2320 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 :: 8.5120 HA :: 4.6000 HB2 :: 2.8980 HB3 :: 3.0310 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.6000 Ave N Shift Values>> N :: 120.65(3.86) 1.Y45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> CA :: 63.9960 CB :: 39.2320 CD1 :: 132.5580 CD2 :: 132.5580 CE1 :: 116.5080 CE2 :: 116.5080 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 :: 7.5700 HA :: 3.4590 HB2 :: 2.0900 HB3 :: 2.5590 HD1 :: 5.0640(S) HD2 :: 5.0770(S) HE1 :: 6.0140 HE2 :: 6.0100 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.8100 Ave N Shift Values>> N :: 120.52(4.2) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.46 C Shift Assignments>> CA :: 59.4930 CB :: 36.5400 CD1 :: 132.8430 CD2 :: 132.9040 CE1 :: 118.0810 CE2 :: 118.1990 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 :: 8.3300 HA :: 4.4840 HB2 :: 2.7410 HB3 :: 3.3700 HD1 :: 7.3390 HD2 :: 7.3310 HE1 :: 6.8830 HE2 :: 6.8810 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 :: 111.7600 Ave N Shift Values>> N :: 120.52(4.2) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.1 C Shift Assignments>> CA :: 57.2860 CB :: 32.7030 CG :: 25.1420 CD :: 29.1680 CE :: 41.9870 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 :: 7.3000 HA :: 4.2250 HB3 :: 1.9190 HG2 :: 1.3830 HG3 :: 1.5230 HD3 :: 1.6870 HE3 :: 3.0110 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 :: 118.1510 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 62.4040 CB :: 39.4930 CG1 :: 28.7060 CG2 :: 17.2190 CD1 :: 12.4670 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 :: 7.2690 HA :: 3.8710 HB :: 1.7300 HG12 :: 1.3230 HG13 :: 1.6660 HG21 :: 0.9840 HG22 :: 0.9840 HG23 :: 0.9840 HD11 :: 0.9370 HD12 :: 0.9370 HD13 :: 0.9370 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 :: 119.1910 Ave N Shift Values>> N :: 121.46(4.28) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 A 0.03 HN Overlap>> 1.K5 1.K5 C Shift Assignments>> CA :: 57.2420 CB :: 33.3820 CG1 :: 24.7230 CG2 :: 16.2190 CD1 :: 9.5770 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 :: 8.3370 HA :: 3.9420 HB :: 1.3980 HG12 :: 0.4780 HG13 :: 0.8930 HG21 :: 0.5010 HG22 :: 0.5010 HG23 :: 0.5010 HD11 :: 0.6900 HD12 :: 0.6900 HD13 :: 0.6900 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.5350 Ave N Shift Values>> N :: 121.46(4.28) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.14 C Shift Assignments>> CA :: 56.8730 CB :: 32.9570 CG :: 24.6370 CD :: 28.1610 CE :: 41.7380 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 :: 7.7190 HA :: 4.2490 HB2 :: 1.8130 HB3 :: 1.9350 HG2 :: 1.4470 HG3 :: 1.5230 HD3 :: 1.6570 HE3 :: 2.9790 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.7550 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 C 0.33 A 0.09 C Shift Assignments>> CA :: 57.3160 CB :: 69.2000 CG2 :: 21.3680 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 :: 8.2800 HA :: 4.6760 HB :: 4.2440 HG21 :: 1.1570 HG22 :: 1.1570 HG23 :: 1.1570 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.0540 Ave N Shift Values>> N :: 115.42(4.75) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> CA :: 62.8410 CB :: 32.4780 CG :: 27.9380 CD :: 50.4930 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 :: 4.0590 HB2 :: 2.1360 HB3 :: 2.4020 HG2 :: 2.0300 HG3 :: 2.2670 HD2 :: 3.4690 HD3 :: 3.6890 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.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 M 0.27 A 0.02 C Shift Assignments>> CA :: 53.9900 CB :: 31.8260 CG :: 30.8640 CE :: 13.7440 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 :: 8.1900 HA :: 5.0510 HB2 :: 1.2480 HB3 :: 2.1180 HG2 :: 1.8740 HG3 :: 2.9550 HE1 :: 2.0070 HE2 :: 2.0070 HE3 :: 2.0070 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 :: 117.8400 Ave N Shift Values>> N :: 120.09(3.57) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.2 R 0.05 D 0.04 C 0.03 F 0.01 C Shift Assignments>> CA :: 53.0650 CB :: 44.7350 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 :: 7.3210 HA :: 4.8150 HB2 :: 2.3040 HB3 :: 2.4130 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 :: 119.7970 Ave N Shift Values>> N :: 120.65(3.86) 1.M55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 M 0.17 C Shift Assignments>> CA :: 59.9930 CB :: 35.4510 CG :: 33.6950 CE :: 16.5310 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 :: 9.1100 HA :: 3.8840 HB3 :: 2.3300 HG2 :: 2.2830 HG3 :: 2.6940 HE1 :: 2.0480 HE2 :: 2.0480 HE3 :: 2.0480 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.5500 Ave N Shift Values>> N :: 120.09(3.57) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.1 P 0.08 A 0.06 L 0.03 N 0.01 C Shift Assignments>> CA :: 47.7560 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7730 HA2 :: 4.0460 HA3 :: 4.2260 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.1430 Ave N Shift Values>> N :: 109.67(3.87) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.E115 1.E115 C Shift Assignments>> CA :: 66.9400 CB :: 67.5630 CG2 :: 21.2220 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 :: 8.3870 HA :: 3.7750 HB :: 4.1510 HG21 :: 0.9590 HG22 :: 0.9590 HG23 :: 0.9590 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 :: 124.2630 Ave N Shift Values>> N :: 115.42(4.75) 1.I58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> CA :: 65.9150 CB :: 38.7540 CG1 :: 29.2110 CG2 :: 17.6260 CD1 :: 11.9430 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 :: 7.3650 HA :: 3.6780 HB :: 1.3280 HG12 :: 0.7790 HG13 :: 1.6810 HG21 :: 0.6840 HG22 :: 0.6840 HG23 :: 0.6840 HD11 :: -0.4230(S) HD12 :: -0.4230(S) HD13 :: -0.4230(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.9540 Ave N Shift Values>> N :: 121.46(4.28) 1.K59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 K 0.42 R 0.01 C Shift Assignments>> CA :: 60.9940 CB :: 33.2080 CG :: 24.3860 CD :: 29.4160 CE :: 41.4870 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 :: 8.4790 HA :: 3.6520 HB2 :: 1.7540 HB3 :: 2.0400 HG2 :: 0.8430 HG3 :: 1.1440 HD2 :: 0.5580(S) HD3 :: 0.9940 HE3 :: 2.2800 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 :: 120.0870 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 HN Overlap>> 1.F81 1.F81 C Shift Assignments>> CA :: 59.3370 CB :: 32.1670 CG :: 25.1680 CD :: 28.8380 CE :: 41.7380 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 :: 7.8010 HA :: 4.0390 HB3 :: 1.8920 HG2 :: 1.4330 HG3 :: 1.5310 HD3 :: 1.6840 HE3 :: 2.9430 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 :: 117.3350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R61 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 R 0.29 K 0.14 G 0.04 C Shift Assignments>> CA :: 60.0380 CB :: 30.4630 CG :: 28.6760 CD :: 42.9840 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 :: 8.4000 HA :: 3.8210 HB2 :: 0.9620 HB3 :: 2.2120 HG2 :: 0.3730(S) HG3 :: 1.6340 HD2 :: 2.0820(S) HD3 :: 2.4950 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 :: 119.8080 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HD2 > HB3 : 0.9951) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.29 L 0.19 G 0.11 C Shift Assignments>> CA :: 58.0590 CB :: 43.7480 CG :: 28.4070 CD1 :: 26.3330 CD2 :: 24.6270 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 :: 8.8420 HA :: 4.4810 HB2 :: 1.5990 HB3 :: 2.3690 HG :: 2.2030 HD11 :: 0.9840 HD12 :: 0.9840 HD13 :: 0.9840 HD21 :: 1.3850 HD22 :: 1.3850 HD23 :: 1.3850 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.1010 Ave N Shift Values>> N :: 121.86(3.9) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.32 I 0.17 M 0.02 K 0.02 C Shift Assignments>> CA :: 58.5550 CB :: 29.9300 CG :: 37.4810 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 :: 8.6960 HA :: 4.0020 HB2 :: 1.9450 HB3 :: 2.1610 HG2 :: 2.1790 HG3 :: 2.5900 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 :: 119.5810 Ave N Shift Values>> N :: 120.67(3.48) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.13 C 0.09 Y 0.06 F 0.05 L 0.03 M 0.01 C Shift Assignments>> CA :: 52.8080 CB :: 38.4690 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 :: 7.9700 HA :: 4.9120 HB2 :: 2.7260 HB3 :: 2.9670 HD21 :: 7.8650 HD22 :: 7.0990 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.1090 ND2 :: 114.0000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 E 0.21 N 0.19 M 0.13 Y 0.07 F 0.04 K 0.03 Q 0.02 D 0.01 C Shift Assignments>> CA :: 54.5290 CB :: 36.4060 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 :: 7.9030 HA :: 4.7340 HB2 :: 2.8590 HB3 :: 2.9670 HD21 :: 7.5700 HD22 :: 6.8140 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 :: 116.1900 ND2 :: 112.8400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> CA :: 60.8370 CB :: 40.2390 CD1 :: 132.9510 CD2 :: 132.9540 CE1 :: 117.7410 CE2 :: 117.7000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.4410 HA :: 3.9900 HB2 :: 2.2150 HB3 :: 3.0030 HD1 :: 6.3920 HD2 :: 6.3850 HE1 :: 6.7100 HE2 :: 6.7040 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 :: 116.8650 Ave N Shift Values>> N :: 120.52(4.2) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.34 C 0.21 C Shift Assignments>> CA :: 57.0710 CB :: 39.2990 CD1 :: 132.6450 CD2 :: 132.5010 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 :: 7.7790 HA :: 4.6170 HB2 :: 3.0290 HB3 :: 3.2880 HD1 :: 7.5010 HD2 :: 7.4940 HE1 :: 7.2110 HE2 :: 7.2150 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 :: 114.4050 Ave N Shift Values>> N :: 120.52(4.2) 1.W68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> CA :: 58.5690 CB :: 30.7280 CD1 :: 127.2080 CE3 :: 120.6380 CZ2 :: 114.2650 CZ3 :: 122.0310 CH2 :: 124.6530 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.7700 HA :: 4.5370 HB2 :: 3.3490 HB3 :: 3.3530 HD1 :: 7.3580 HE1 :: 9.9520 HE3 :: 7.5810 HZ2 :: 7.4620 HZ3 :: 7.1310 HH2 :: 7.2350 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.0230 NE1 :: 129.0550 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.33 L 0.13 C 0.06 F 0.04 Y 0.03 K 0.02 C Shift Assignments>> CA :: 51.5460 CB :: 40.7330 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 :: 7.8810 HA :: 4.8210 HB2 :: 2.9780 HB3 :: 3.0730 HD21 :: 7.6490 HD22 :: 6.9780 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 :: 111.8150 ND2 :: 113.8190 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.33 C 0.03 I 0.01 C Shift Assignments>> CA :: 54.8390 CB :: 19.0070 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8890 HA :: 3.8760 HB1 :: 1.4430 HB2 :: 1.4430 HB3 :: 1.4430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.8950 Ave N Shift Values>> N :: 123.23(3.54) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.21 R 0.13 K 0.13 I 0.03 E 0.02 HN Overlap>> 1.I109 1.I109 C Shift Assignments>> CA :: 59.0600 CB :: 27.2550 CG :: 33.6960 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 :: 8.6490 HA :: 3.9900 HB2 :: 2.1450 HB3 :: 2.2310 HG2 :: 2.4760 HG3 :: 2.5620 HE21 :: 7.6680 HE22 :: 6.9050 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.1160 NE2 :: 112.2560 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.31 M 0.1 I 0.03 C Shift Assignments>> CA :: 58.9620 CB :: 31.6790 CG :: 36.9600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.8490 HA :: 4.1080 HB3 :: 2.4260 HG2 :: 2.5190 HG3 :: 2.7070 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 :: 118.7340 Ave N Shift Values>> N :: 120.67(3.48) 1.C73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.24 P 0.19 K 0.05 R 0.04 W 0.02 L 0.01 C Shift Assignments>> CA :: 61.5920 CB :: 25.9030 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.5750 HA :: 3.5660 HB2 :: 1.6180 HB3 :: 2.5150 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.8130 Ave N Shift Values>> N :: 120.17(4.64) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> CA :: 66.9310 CB :: 38.4810 CG1 :: 30.9330 CG2 :: 16.9690 CD1 :: 13.7020 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 :: 8.5060 HA :: 3.9530 HB :: 2.0170 HG12 :: 1.1580 HG13 :: 1.9440 HG21 :: 1.1850 HG22 :: 1.1850 HG23 :: 1.1850 HD11 :: 0.9160 HD12 :: 0.9160 HD13 :: 0.9160 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.7530 Ave N Shift Values>> N :: 121.46(4.28) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.22 K 0.19 E 0.07 R 0.06 I 0.05 C Shift Assignments>> CA :: 59.0910 CB :: 28.0020 CG :: 34.2080 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 :: 8.3400 HA :: 4.2790 HB2 :: 2.3610 HB3 :: 2.3100 HG3 :: 2.5900 HE21 :: 7.5430 HE22 :: 6.9920 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 :: 117.7260 NE2 :: 112.8420 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.15 L 0.03 D 0.03 C Shift Assignments>> CA :: 58.5880 CB :: 39.4710 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 :: 7.5190 HA :: 4.5760 HB2 :: 2.6370 HB3 :: 3.0370 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 :: 121.9000 Ave N Shift Values>> N :: 120.65(3.86) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> CA :: 63.3230 CB :: 39.5930 CD1 :: 132.5200 CD2 :: 132.5520 CE1 :: 130.6060 CE2 :: 130.6170 CZ :: 127.9540 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 :: 7.9990 HA :: 3.4410 HB2 :: 1.8860 HB3 :: 2.9910 HD1 :: 6.9330 HD2 :: 6.9380 HE1 :: 7.1260 HE2 :: 7.1220 HZ :: 7.0060 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.8740 Ave N Shift Values>> N :: 120.45(4.18) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.21 C 0.2 N 0.07 E 0.07 I 0.06 D 0.05 L 0.02 M 0.02 C Shift Assignments>> CA :: 56.8170 CB :: 38.2180 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 :: 8.5570 HA :: 4.7270 HB2 :: 3.0050 HB3 :: 3.0130 HD21 :: 7.6190 HD22 :: 6.9260 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 :: 116.0710 ND2 :: 110.9870 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 66.6590 CB :: 68.6420 CG2 :: 22.3740 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 :: 8.9820 HA :: 3.8590 HB :: 4.3540 HG21 :: 1.2770 HG22 :: 1.2770 HG23 :: 1.2770 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 :: 121.3810 Ave N Shift Values>> N :: 115.42(4.75) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.31 I 0.02 C Shift Assignments>> CA :: 60.2440 CB :: 33.7130 CG :: 31.1710 CE :: 16.6560 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.6620 HA :: 3.6820 HB2 :: 1.2500 HB3 :: 2.1350 HG2 :: 1.6250 HG3 :: 2.6540 HE1 :: 1.1290 HE2 :: 1.1290 HE3 :: 1.1290 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 :: 120.3780 Ave N Shift Values>> N :: 120.09(3.57) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 HN Overlap>> 1.K60 1.K60 C Shift Assignments>> CA :: 61.6420 CB :: 37.9810 CD1 :: 132.1880 CD2 :: 132.3320 CE1 :: 130.4790 CE2 :: 130.4270 CZ :: 127.4890 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 :: 7.8550 HA :: 3.8920 HB2 :: 2.9190 HB3 :: 2.9880 HD1 :: 6.9590 HD2 :: 6.9560 HE1 :: 6.5620 HE2 :: 6.5660 HZ :: 6.4670 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.3350 Ave N Shift Values>> N :: 120.45(4.18) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 67.1740 CB :: 68.6980 CG2 :: 22.1550 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 :: 8.6910 HA :: 3.8730 HB :: 4.3440 HG21 :: 1.4430 HG22 :: 1.4430 HG23 :: 1.4430 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 :: 113.0610 Ave N Shift Values>> N :: 115.42(4.75) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 Y 0.17 C 0.16 F 0.14 D 0.1 E 0.04 L 0.03 M 0.02 I 0.02 C Shift Assignments>> CA :: 55.0560 CB :: 38.2180 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 :: 8.8010 HA :: 4.3580 HB2 :: 2.7360 HB3 :: 3.0680 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 :: 119.4840 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 P 0.32 C 0.19 K 0.02 R 0.02 W 0.01 C Shift Assignments>> CA :: 62.4280 CB :: 25.9210 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.9360 HA :: 4.4020 HB2 :: 2.9270 HB3 :: 3.2440 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.5590 Ave N Shift Values>> N :: 120.17(4.64) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.48 C Shift Assignments>> CA :: 56.4910 CB :: 36.4390 CD1 :: 131.9010 CD2 :: 131.8830 CE1 :: 118.1810 CE2 :: 118.1610 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 :: 7.6280 HA :: 4.7750 HB2 :: 3.2700 HB3 :: 3.3820 HD1 :: 7.0290 HD2 :: 7.0340 HE1 :: 6.9650 HE2 :: 6.9670 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.7370 Ave N Shift Values>> N :: 120.52(4.2) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> CA :: 63.8430 CB :: 38.4810 CG1 :: 28.4150 CG2 :: 17.2290 CD1 :: 13.4850 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 :: 8.5980 HA :: 4.0820 HB :: 2.0070 HG12 :: 1.2830 HG13 :: 1.8430 HG21 :: 0.9070 HG22 :: 0.9070 HG23 :: 0.9070 HD11 :: 0.9240 HD12 :: 0.9240 HD13 :: 0.9240 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.8670 Ave N Shift Values>> N :: 121.46(4.28) 1.Y87 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.74 C 0.25 C Shift Assignments>> CA :: 62.4780 CB :: 40.2300 CD1 :: 133.4300 CD2 :: 133.4400 CE1 :: 118.0510 CE2 :: 118.0610 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 :: 8.3530 HA :: 4.0870 HB2 :: 3.0390 HB3 :: 3.1630 HD1 :: 7.1230 HD2 :: 7.1290 HE1 :: 6.8120 HE2 :: 6.8130 HH :: 4.8490(A) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.6170 Ave N Shift Values>> N :: 120.52(4.2) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.26 L 0.16 F 0.05 C 0.05 Y 0.04 K 0.03 C Shift Assignments>> CA :: 52.5420 CB :: 40.7870 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 :: 7.4060 HA :: 4.7710 HB2 :: 2.8000 HB3 :: 2.9300 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.6300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.3 R 0.15 C Shift Assignments>> CA :: 54.2400 CB :: 31.7270 CG :: 24.4330 CD :: 28.6520 CE :: 41.7380 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 :: 8.3700 HA :: 4.6860 HB2 :: 1.7860 HB3 :: 1.8530 HG3 :: 1.5450 HD3 :: 1.7570 HE3 :: 3.0670 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 :: 120.1700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 64.1210 CB :: 31.4410 CG :: 27.9070 CD :: 50.4870 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 :: 4.2060 HB2 :: 1.8310 HB3 :: 2.3240 HG2 :: 2.0630 HG3 :: 2.1230 HD2 :: 3.6200 HD3 :: 3.9610 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.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.6570 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3710 HA2 :: 3.6200 HA3 :: 4.1450 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.3960 Ave N Shift Values>> N :: 109.67(3.87) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.23 K 0.14 F 0.1 Y 0.07 N 0.06 C 0.05 R 0.02 C Shift Assignments>> CA :: 54.8160 CB :: 41.3580 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 :: 7.9600 HA :: 4.6220 HB2 :: 2.8500 HB3 :: 2.9160 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 :: 121.7610 Ave N Shift Values>> N :: 120.65(3.86) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 C 0.13 I 0.1 L 0.07 D 0.06 K 0.01 N 0.01 C Shift Assignments>> CA :: 58.0570 CB :: 39.9820 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 :: 8.9050 HA :: 4.2200 HB2 :: 2.5420 HB3 :: 2.6010 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 :: 123.6160 Ave N Shift Values>> N :: 120.65(3.86) 1.I94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> CA :: 60.4940 CB :: 37.4810 CG1 :: 27.7250 CG2 :: 19.4710 CD1 :: 13.7170 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 :: 8.5270 HA :: 3.8450 HB :: 1.2610 HG12 :: -0.2820(S) HG13 :: 0.6130 HG21 :: 0.5760 HG22 :: 0.5760 HG23 :: 0.5760 HD11 :: -0.2460 HD12 :: -0.2460 HD13 :: -0.2460 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 :: 116.3720 Ave N Shift Values>> N :: 121.46(4.28) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.23 C Shift Assignments>> CA :: 66.4970 CB :: 31.4770 CG1 :: 25.7240 CG2 :: 21.9720 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.7120 HA :: 3.7810 HB :: 2.3130 HG11 :: 1.1560 HG12 :: 1.1560 HG13 :: 1.1560 HG21 :: 1.0670 HG22 :: 1.0670 HG23 :: 1.0670 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 :: 122.6160 Ave N Shift Values>> N :: 121.14(4.54) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 HN Overlap>> 1.V18 1.V18 C Shift Assignments>> CA :: 57.9920 CB :: 40.9370 CG :: 27.1520 CD1 :: 25.4180 CD2 :: 23.1940 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 :: 7.5750 HA :: 4.0950 HB2 :: 1.5060 HB3 :: 1.8490 HG :: 1.6950 HD11 :: 0.8860 HD12 :: 0.8860 HD13 :: 0.8860 HD21 :: 0.8600 HD22 :: 0.8600 HD23 :: 0.8600 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 :: 120.1860 Ave N Shift Values>> N :: 121.86(3.9) 1.M97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 M 0.37 I 0.01 C Shift Assignments>> CA :: 59.7430 CB :: 34.0330 CG :: 31.7270 CE :: 17.4690 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.7640 HA :: 3.7360 HB2 :: 1.9800 HB3 :: 2.2220 HG2 :: 0.9440(S) HG3 :: 2.3900 HE1 :: 1.8460 HE2 :: 1.8460 HE3 :: 1.8460 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.2880 Ave N Shift Values>> N :: 120.09(3.57) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 M 0.39 C 0.06 I 0.04 V 0.02 L 0.01 C Shift Assignments>> CA :: 55.7410 CB :: 19.2590 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2030 HA :: 3.6910 HB1 :: 1.7350 HB2 :: 1.7350 HB3 :: 1.7350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.6320 Ave N Shift Values>> N :: 123.23(3.54) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.31 I 0.19 K 0.02 M 0.01 C Shift Assignments>> CA :: 59.2430 CB :: 29.9330 CG :: 37.2480 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 :: 8.9800 HA :: 4.1310 HB2 :: 1.8840 HB3 :: 2.1770 HG2 :: 2.1040 HG3 :: 2.7060 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.8530 Ave N Shift Values>> N :: 120.67(3.48) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 I 0.02 C 0.02 C Shift Assignments>> CA :: 54.7910 CB :: 18.1090 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6780 HA :: 4.2010 HB1 :: 1.8100 HB2 :: 1.8100 HB3 :: 1.8100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.6450 Ave N Shift Values>> N :: 123.23(3.54) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.36 R 0.15 G 0.03 C Shift Assignments>> CA :: 57.5070 CB :: 42.7370 CG :: 26.6680 CD1 :: 26.7250 CD2 :: 23.3840 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 :: 7.9500 HA :: 3.7230 HB2 :: 1.3560 HB3 :: 1.8950 HG :: 1.7460 HD11 :: 0.6460 HD12 :: 0.6460 HD13 :: 0.6460 HD21 :: 0.5430 HD22 :: 0.5430 HD23 :: 0.5430 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 :: 120.1670 Ave N Shift Values>> N :: 121.86(3.9) 1.E102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 E 0.3 I 0.21 K 0.07 Q 0.03 C Shift Assignments>> CA :: 59.3340 CB :: 28.6410 CG :: 36.2150 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 :: 9.0120 HA :: 3.0940 HB2 :: 0.5290(S) HB3 :: 1.6510 HG2 :: 1.6000 HG3 :: 1.9980 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 :: 122.4230 Ave N Shift Values>> N :: 120.67(3.48) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.45 R 0.04 C Shift Assignments>> CA :: 60.0940 CB :: 32.1820 CG :: 25.2020 CD :: 28.8970 CE :: 41.5210 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 :: 7.9340 HA :: 3.8800 HB3 :: 1.8900 HG2 :: 1.4200 HG3 :: 1.5940 HD3 :: 1.6740 HE3 :: 2.9340 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 :: 118.6330 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.36 R 0.11 G 0.01 C Shift Assignments>> CA :: 57.4530 CB :: 42.2430 CG :: 26.9750 CD1 :: 26.2160 CD2 :: 23.6610 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 :: 7.1870 HA :: 4.2310 HB2 :: 1.6200 HB3 :: 1.8170 HG :: 1.5490 HD11 :: 0.9930 HD12 :: 0.9930 HD13 :: 0.9930 HD21 :: 1.0040 HD22 :: 1.0040 HD23 :: 1.0040 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 :: 120.7660 Ave N Shift Values>> N :: 121.86(3.9) 1.F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 HN Overlap>> 1.Q10 1.Q10 C Shift Assignments>> CA :: 61.7440 CB :: 39.2380 CD1 :: 131.2120 CD2 :: 131.1780 CE1 :: 131.0370 CE2 :: 130.8330 CZ :: 129.9190 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 :: 8.8430 HA :: 3.8190 HB2 :: 3.1310 HB3 :: 3.4630 HD1 :: 6.7560 HD2 :: 6.7510 HE1 :: 6.7860 HE2 :: 6.7830 HZ :: 7.1320 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.7530 Ave N Shift Values>> N :: 120.45(4.18) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.42 R 0.02 A 0.01 C Shift Assignments>> CA :: 57.4710 CB :: 41.4690 CG :: 26.7840 CD1 :: 25.6010 CD2 :: 22.1470 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 :: 8.7370 HA :: 3.6780 HB2 :: 1.3560 HB3 :: 1.8530 HG :: 1.9940 HD11 :: 0.8950 HD12 :: 0.8950 HD13 :: 0.8950 HD21 :: 0.9080 HD22 :: 0.9080 HD23 :: 0.9080 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.3120 Ave N Shift Values>> N :: 121.86(3.9) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.23 R 0.06 E 0.06 I 0.02 M 0.01 C Shift Assignments>> CA :: 58.6530 CB :: 28.2570 CG :: 33.9570 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 :: 7.6910 HA :: 4.0350 HB2 :: 2.2150 HB3 :: 2.3300 HG2 :: 2.3230 HG3 :: 2.5660 HE21 :: 7.4700 HE22 :: 6.7580 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.5340 NE2 :: 111.4180 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.24 R 0.21 C Shift Assignments>> CA :: 56.5590 CB :: 32.1820 CG :: 23.6310 CD :: 26.9560 CE :: 41.4690 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0970 HA :: 4.2620 HB2 :: 1.6950 HB3 :: 2.0010 HG2 :: 1.3290 HG3 :: 1.8990 HD2 :: 1.5560 HD3 :: 1.6860 HE2 :: 2.7870 HE3 :: 2.9480 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.4930 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> 1.Q71 1.Q71 C Shift Assignments>> CA :: 62.6710 CB :: 36.7530 CG1 :: 26.4140 CG2 :: 18.7840 CD1 :: 13.2200 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 :: 8.5640 HA :: 4.0600 HB :: 1.7960 HG12 :: 0.8990 HG13 :: 0.9830 HG21 :: 0.5900 HG22 :: 0.5900 HG23 :: 0.5900 HD11 :: 0.5700 HD12 :: 0.5700 HD13 :: 0.5700 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 :: 118.1160 Ave N Shift Values>> N :: 121.46(4.28) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 Y 0.18 F 0.16 C 0.15 D 0.12 L 0.04 E 0.03 I 0.02 M 0.01 C Shift Assignments>> CA :: 55.3190 CB :: 38.4640 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 :: 7.5160 HA :: 4.5480 HB2 :: 2.8580 HB3 :: 2.9060 HD21 :: 7.6140 HD22 :: 6.8560 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.1680 ND2 :: 113.0380 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.32 K 0.1 Q 0.07 M 0.05 I 0.01 C Shift Assignments>> CA :: 54.8160 CB :: 29.4510 CG :: 36.2800 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 :: 7.0050 HA :: 4.3520 HB2 :: 1.9240 HB3 :: 2.3220 HG2 :: 2.1810 HG3 :: 2.3250 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 :: 115.8760 Ave N Shift Values>> N :: 120.67(3.48) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.18 G 0.07 R 0.06 C Shift Assignments>> CA :: 53.4070 CB :: 42.9960 CG :: 26.6490 CD1 :: 25.7180 CD2 :: 25.7240 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.9230 HA :: 3.5020 HB2 :: 1.5310 HB3 :: 1.5890 HG :: 1.7610 HD11 :: 0.9280 HD12 :: 0.9280 HD13 :: 0.9280 HD21 :: 0.8570 HD22 :: 0.8570 HD23 :: 0.8570 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.0460 Ave N Shift Values>> N :: 121.86(3.9) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> CA :: 62.6120 CB :: 32.1900 CG :: 27.2250 CD :: 50.5400 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 :: 4.3900 HB2 :: 1.8220 HB3 :: 2.2880 HG2 :: 1.7230 HG3 :: 1.8430 HD2 :: 2.8100 HD3 :: 2.9180 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.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.8900 CB :: 69.4990 CG2 :: 21.6190 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 :: 8.1770 HA :: 4.1850 HB :: 4.2270 HG21 :: 1.2450 HG22 :: 1.2450 HG23 :: 1.2450 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 :: 114.0520 Ave N Shift Values>> N :: 115.42(4.75) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.35 M 0.07 K 0.06 Q 0.04 I 0.03 HN Overlap>> 1.T57 1.T57 C Shift Assignments>> CA :: 56.7700 CB :: 30.1220 CG :: 36.4740 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 :: 8.4680 HA :: 4.3020 HB2 :: 1.9580 HB3 :: 2.1020 HG3 :: 2.3210 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.2610 Ave N Shift Values>> N :: 120.67(3.48) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.35 M 0.12 I 0.02 C Shift Assignments>> CA :: 57.8340 CB :: 31.4240 CG :: 36.9600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2090 HA :: 4.1720 HB2 :: 1.9280 HB3 :: 2.0900 HG3 :: 2.2540 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.1280 Ave N Shift Values>> N :: 120.67(3.48) 2.MQO1 Overall Status: Residue type MQO not supported. ########################################################################### Overall Results: #Consistent: 104 #Clerical: 0 #Suspicious: 10 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 115 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 115 #Suspicious: 1 C Shift Results: #Consistent: 449 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 843 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 2 N Shift Results: #Consistent: 124 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F27 H = 11.5500(S), Expected = 8.36, Std = 0.7200, ChiSquare = 9.3991e-06 1.P30 HB2 = -0.2300(S), Expected = 2.08, Std = 0.3500, ChiSquare = 4.1116e-11 1.P30 HG2 = -0.7090(A), Expected = 1.93, Std = 0.3100, ChiSquare = 1.6963e-17 1.P30 HG3 = 0.7010(S), Expected = 1.90, Std = 0.3300, ChiSquare = 2.7978e-04 1.P30 HD2 = 1.7320(S), Expected = 3.65, Std = 0.3500, ChiSquare = 4.2533e-08 1.Q32 HG2 = 0.2300(S), Expected = 2.32, Std = 0.2700, ChiSquare = 9.8839e-15 1.V35 HG21 = -0.6170(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1769e-07 1.V35 HG22 = -0.6170(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1769e-07 1.V35 HG23 = -0.6170(S), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1769e-07 1.Y45 HD1 = 5.0640(S), Expected = 6.93, Std = 0.3000, ChiSquare = 4.9715e-10 1.Y45 HD2 = 5.0770(S), Expected = 6.93, Std = 0.3000, ChiSquare = 6.5469e-10 1.I58 HD11 = -0.4230(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.4270e-04 1.I58 HD12 = -0.4230(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.4270e-04 1.I58 HD13 = -0.4230(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.4270e-04 1.K59 HD2 = 0.5580(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.7372e-06 1.R61 HG2 = 0.3730(S), Expected = 1.57, Std = 0.2700, ChiSquare = 9.2787e-06 1.R61 HD2 = 2.0820(S), Expected = 3.12, Std = 0.2400, ChiSquare = 1.5253e-05 1.R61 SRO Rule Break>> HD2 > HB3 : 0.995112016293279 1.Y87 HH = 4.8490(A), Expected = 9.30, Std = 1.3600, ChiSquare = 1.0649e-03 1.I94 HG12 = -0.2820(S), Expected = 1.28, Std = 0.4000, ChiSquare = 9.4225e-05 1.M97 HG2 = 0.9440(S), Expected = 2.42, Std = 0.3500, ChiSquare = 2.4742e-05 1.E102 HB2 = 0.5290(S), Expected = 2.02, Std = 0.2100, ChiSquare = 1.2476e-12