Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.2000 CB :: 63.3950 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.5110 HB3 :: 3.8650 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.H2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.37 W 0.34 C 0.27 C Shift Assignments>> CA :: 56.1480 CB :: 29.6090 CD2 :: 119.8000 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>> HA :: 4.6190 HB2 :: 3.1340 HB3 :: 3.1500 HD2 :: 7.0950 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) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.32 Q 0.14 K 0.05 HN Overlap>> 1.D4 1.D4 C Shift Assignments>> CA :: 55.1530 CB :: 32.2930 CG :: 31.4890 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 :: 8.2740 HA :: 4.3950 HB2 :: 1.9010 HB3 :: 2.0390 HG2 :: 2.3700 HG3 :: 2.4720 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 :: 120.9640 Ave N Shift Values>> N :: 120.09(3.57) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.22 L 0.15 F 0.11 Y 0.09 C 0.07 K 0.01 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> CA :: 54.2000 CB :: 40.2000 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 :: 8.2810 HA :: 4.7460 HB2 :: 2.6450 HB3 :: 2.7010 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.9890 Ave N Shift Values>> N :: 120.65(3.86) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 61.2180 CB :: 69.3160 CG2 :: 21.1100 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 :: 7.9790 HA :: 4.3120 HB :: 4.1860 HG21 :: 1.1640 HG22 :: 1.1640 HG23 :: 1.1640 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 :: 113.2440 Ave N Shift Values>> N :: 115.42(4.75) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 C Shift Assignments>> CA :: 59.2340 CB :: 32.2990 CG1 :: 20.5000 CG2 :: 20.5600 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0210 HA :: 4.4040 HB :: 2.0250 HG11 :: 0.8600 HG12 :: 0.8600 HG13 :: 0.8600 HG21 :: 0.8880 HG22 :: 0.8880 HG23 :: 0.8880 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.5790 Ave N Shift Values>> N :: 121.14(4.54) 1.P7 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 :: 62.9000 CB :: 31.7900 CG :: 26.8210 CD :: 50.5620 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 :: 4.4270 HB2 :: 1.9060 HB3 :: 2.2950 HG2 :: 1.9970 HD2 :: 3.6530 HD3 :: 3.8970 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.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.16 F 0.11 Y 0.09 C 0.06 K 0.04 HN Overlap>> 1.N114 1.N114 C Shift Assignments>> CA :: 54.4210 CB :: 40.5580 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 :: 8.4710 HA :: 4.4520 HB2 :: 2.5790 HB3 :: 2.6750 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 :: 120.5560 Ave N Shift Values>> N :: 120.65(3.86) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 C 0.12 D 0.07 Y 0.04 F 0.04 M 0.02 E 0.02 L 0.01 HN Overlap>> 1.M98 1.M98 C Shift Assignments>> CA :: 52.2820 CB :: 37.7310 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 :: 8.1110 HA :: 4.6040 HB2 :: 2.7270 HB3 :: 2.8070 HD21 :: 7.5450 HD22 :: 6.7890 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 :: 116.9910 ND2 :: 111.7570 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.32 C 0.29 C Shift Assignments>> CA :: 56.4360 CB :: 30.0090 CD2 :: 119.1330 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.0140 HA :: 4.4120 HB2 :: 3.0200 HB3 :: 3.2070 HD2 :: 7.0630 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 :: 119.3350 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.38 K 0.14 G 0.02 L 0.01 C Shift Assignments>> CA :: 57.4190 CB :: 29.7810 CG :: 26.8170 CD :: 42.7600 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 :: 8.2090 HA :: 3.9830 HB3 :: 1.7430 HG2 :: 1.5190 HG3 :: 1.5830 HD3 :: 3.1690 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.2690 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.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 C 0.11 D 0.09 Y 0.05 F 0.05 L 0.02 M 0.01 E 0.01 C Shift Assignments>> CA :: 52.7230 CB :: 38.0340 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 :: 8.5650 HA :: 4.7150 HB2 :: 2.7260 HB3 :: 3.3490 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 :: 114.4950 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.41 R 0.07 C Shift Assignments>> CA :: 54.7360 CB :: 35.0150 CG :: 25.5860 CD :: 29.0610 CE :: 41.2860 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 :: 7.0400 HA :: 5.2570 HB3 :: 1.3450 HG2 :: 1.0390 HG3 :: 1.3070 HD2 :: 1.2720 HD3 :: 1.4110 HE3 :: 2.7050 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 :: 117.9320 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.38 C 0.17 G 0.01 C Shift Assignments>> CA :: 55.9210 CB :: 42.1980 CD2 :: 132.4110 CE2 :: 131.1720 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 :: 9.3890 HA :: 4.5090 HB2 :: 2.6690 HB3 :: 2.6950 HD2 :: 6.9540 HE2 :: 7.0620 HZ :: 7.1120 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 :: 120.6200 Ave N Shift Values>> N :: 120.45(4.18) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.12 C Shift Assignments>> CA :: 56.9720 CB :: 31.3060 CG :: 25.0600 CD :: 28.7980 CE :: 41.5830 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 :: 9.2580 HA :: 4.7370 HB2 :: 1.8830 HB3 :: 2.0300 HG2 :: 1.4590 HG3 :: 1.6150 HD2 :: 1.7930 HD3 :: 1.7850 HE3 :: 2.9980 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 :: 125.6370 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.04 A 0.03 C Shift Assignments>> CA :: 58.3850 CB :: 36.5160 CG1 :: 20.8130 CG2 :: 18.4490 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 :: 8.6720 HA :: 5.6270 HB :: 2.2720 HG11 :: 0.8320 HG12 :: 0.8320 HG13 :: 0.8320 HG21 :: 0.6510 HG22 :: 0.6510 HG23 :: 0.6510 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.2820 Ave N Shift Values>> N :: 121.14(4.54) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 G 0.01 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> CA :: 60.1610 CB :: 42.0680 CG1 :: 27.0710 CG2 :: 17.0990 CD1 :: 13.9130 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 :: 8.8240 HA :: 4.8130 HB :: 1.7080 HG12 :: 1.1570 HG13 :: 1.6520 HG21 :: 0.9050 HG22 :: 0.9050 HG23 :: 0.9050 HD11 :: 0.9040 HD12 :: 0.9040 HD13 :: 0.9040 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 :: 120.3970 Ave N Shift Values>> N :: 121.46(4.28) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.25 F 0.11 Y 0.1 L 0.09 C 0.08 C Shift Assignments>> CA :: 54.2010 CB :: 39.5200 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 :: 9.2320 HA :: 4.5010 HB3 :: 3.0880 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 127.6550 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.07 A 0.05 C Shift Assignments>> CA :: 57.7720 CB :: 35.2700 CG1 :: 21.3560 CG2 :: 18.2700 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 :: 7.6800 HA :: 5.5420 HB :: 1.8420 HG11 :: 0.7560 HG12 :: 0.7560 HG13 :: 0.7560 HG21 :: 0.6060 HG22 :: 0.6060 HG23 :: 0.6060 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 :: 116.3220 Ave N Shift Values>> N :: 121.14(4.54) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 A 0.23 N 0.14 D 0.05 L 0.02 C 0.02 M 0.01 H 0.01 R 0.01 C Shift Assignments>> CA :: 50.9620 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 :: 7.5000 HA :: 4.0930 HB3 :: 2.9290 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 :: 117.0000 Ave N Shift Values>> N :: 120.65(3.86) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 D 0.18 L 0.13 C 0.1 N 0.07 I 0.03 K 0.02 C Shift Assignments>> CA :: 56.2980 CB :: 40.0840 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 :: 7.9220 HA :: 4.1710 HB2 :: 2.6030 HB3 :: 2.7300 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 :: 112.5400 Ave N Shift Values>> N :: 120.65(3.86) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.27 K 0.13 R 0.07 N 0.06 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> CA :: 53.4510 CB :: 42.0040 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 :: 7.8090 HA :: 4.7450 HB2 :: 2.4760 HB3 :: 2.7930 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.3190 Ave N Shift Values>> N :: 120.65(3.86) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 HN Overlap>> 1.G27 1.G27 C Shift Assignments>> CA :: 44.4890 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1960 HA2 :: 3.1150 HA3 :: 4.0850 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8870 Ave N Shift Values>> N :: 109.67(3.87) 1.N24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> N 0.54 C 0.14 Y 0.07 D 0.06 F 0.05 E 0.04 M 0.03 L 0.01 HN Overlap>> 1.Q77 1.Q77 C Shift Assignments>> CA :: 53.2010 CB :: 37.6110 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 :: 8.6430 HA :: 4.4830 HB2 :: 2.5410 HB3 :: 2.7830 HD21 :: 8.8850 HD22 :: 7.3230 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 :: 119.9060 ND2 :: 120.2830(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.25 Y 0.13 M 0.07 F 0.07 I 0.05 K 0.03 N 0.01 Q 0.01 C Shift Assignments>> CA :: 57.4610 CG :: 36.5060 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 :: 8.5250 HA :: 3.8990 HB2 :: 1.9450 HB3 :: 2.0320 HG2 :: 1.9390 HG3 :: 2.5850 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 :: 119.1140 Ave N Shift Values>> N :: 120.67(3.48) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.38 C 0.2 C Shift Assignments>> CA :: 52.9250 CB :: 40.7560 CG :: 26.2800 CD1 :: 26.6270 CD2 :: 21.7620 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 :: 8.8170 HA :: 4.6090 HB2 :: 1.5480 HB3 :: 1.6190 HG :: 1.5500 HD11 :: 0.7000 HD12 :: 0.7000 HD13 :: 0.7000 HD21 :: 0.7380 HD22 :: 0.7380 HD23 :: 0.7380 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 :: 126.1170 Ave N Shift Values>> N :: 121.86(3.9) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 HN Overlap>> 1.G23 1.G23 C Shift Assignments>> CA :: 44.9890 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2280 HA2 :: 4.0190 HA3 :: 4.3290 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9700 Ave N Shift Values>> N :: 109.67(3.87) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 57.2050 CB :: 65.3930 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7760 HA :: 5.4650 HB2 :: 4.0910 HB3 :: 4.1290 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 :: 118.3880 Ave N Shift Values>> N :: 116.28(3.52) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.4850 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0130 HA2 :: 4.1440 HA3 :: 4.6590 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0810 Ave N Shift Values>> N :: 109.67(3.87) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.43 A 0.01 C Shift Assignments>> CA :: 58.1220 CB :: 40.4650 CG1 :: 26.7930 CG2 :: 16.8570 CD1 :: 11.6230 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 :: 8.7790 HA :: 5.1040 HB :: 1.9270 HG12 :: 1.2850 HG13 :: 1.5470 HG21 :: 0.8320 HG22 :: 0.8320 HG23 :: 0.8320 HD11 :: 0.8140 HD12 :: 0.8140 HD13 :: 0.8140 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 :: 121.5600 Ave N Shift Values>> N :: 121.46(4.28) 1.M31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.42 M 0.3 C 0.26 C Shift Assignments>> CA :: 53.0080 CB :: 36.4460 CG :: 32.5690 CE :: 16.7510 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 :: 9.8270 HA :: 5.7350 HB2 :: 1.6160 HB3 :: 1.9040 HG2 :: 2.0110 HG3 :: 2.1600 HE1 :: 1.2850 HE2 :: 1.2850 HE3 :: 1.2850 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 :: 128.5530 Ave N Shift Values>> N :: 120.09(3.57) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 M 0.14 E 0.03 C Shift Assignments>> CA :: 53.4550 CB :: 34.5360 CG :: 36.0210 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 :: 10.1600 HA :: 5.5000 HB2 :: 1.8600 HB3 :: 2.2820 HG2 :: 1.9980 HG3 :: 2.1150 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 :: 129.3780 Ave N Shift Values>> N :: 120.67(3.48) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.4 R 0.15 G 0.01 C Shift Assignments>> CA :: 54.4400 CB :: 42.0130 CG :: 29.0610 CD1 :: 24.9490 CD2 :: 25.1060 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 :: 8.3340 HA :: 5.0780 HB2 :: 1.6610 HB3 :: 1.7840 HG :: 1.7820 HD11 :: 0.7390 HD12 :: 0.7390 HD13 :: 0.7390 HD21 :: 0.7310 HD22 :: 0.7310 HD23 :: 0.7310 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.1740 Ave N Shift Values>> N :: 121.86(3.9) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.2 HN Overlap>> 2.G9 2.G9 C Shift Assignments>> CA :: 59.1130 CB :: 69.2950 CG2 :: 21.3340 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 :: 8.6820 HA :: 5.0120 HB :: 4.7750 HG21 :: 1.2210 HG22 :: 1.2210 HG23 :: 1.2210 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 :: 115.9710 Ave N Shift Values>> N :: 115.42(4.75) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 D 0.14 C 0.12 L 0.1 N 0.05 I 0.04 K 0.01 C Shift Assignments>> CA :: 56.6920 CB :: 39.7910 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 :: 8.7940 HA :: 4.6150 HB2 :: 2.7800 HB3 :: 2.8260 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 :: 117.4670 Ave N Shift Values>> N :: 120.65(3.86) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> CA :: 61.6010 CB :: 71.3620 CG2 :: 21.8000 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 :: 7.7630 HA :: 4.4120 HB :: 4.0230 HG21 :: 1.1120 HG22 :: 1.1120 HG23 :: 1.1120 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 104.0100 Ave N Shift Values>> N :: 115.42(4.75) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.41 E 0.06 Q 0.04 C Shift Assignments>> CA :: 53.9400 CB :: 33.4870 CG :: 35.0470 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 :: 7.2630 HA :: 4.1700 HB2 :: 1.4560 HB3 :: 1.5070 HG2 :: 1.6590 HG3 :: 1.9530 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 :: 118.9800 Ave N Shift Values>> N :: 120.67(3.48) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.26 C 0.16 R 0.02 C Shift Assignments>> CA :: 53.7210 CB :: 44.2380 CG :: 27.0060 CD1 :: 25.0570 CD2 :: 24.5930 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 :: 8.3140 HA :: 4.9720 HB2 :: 1.5690 HB3 :: 1.8080 HG :: 1.5240 HD11 :: 0.4240 HD12 :: 0.4240 HD13 :: 0.4240 HD21 :: 0.4620 HD22 :: 0.4620 HD23 :: 0.4620 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 :: 122.1380 Ave N Shift Values>> N :: 121.86(3.9) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> CA :: 60.3100 CB :: 40.4900 CG1 :: 26.8300 CG2 :: 16.4240 CD1 :: 13.6720 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 :: 9.1540 HA :: 4.7240 HB :: 1.6340 HG12 :: 0.5780 HG13 :: 1.4990 HG21 :: 0.1790 HG22 :: 0.1790 HG23 :: 0.1790 HD11 :: 0.7660 HD12 :: 0.7660 HD13 :: 0.7660 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 :: 124.2440 Ave N Shift Values>> N :: 121.46(4.28) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.15 A 0.12 L 0.04 C Shift Assignments>> CA :: 52.7060 CB :: 45.7360 CG :: 27.3160 CD1 :: 22.6230 CD2 :: 27.4930 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 :: 9.3780 HA :: 5.2660 HB2 :: 1.3100 HB3 :: 2.0910 HG :: 1.3740 HD11 :: 0.7630 HD12 :: 0.7630 HD13 :: 0.7630 HD21 :: 1.1230 HD22 :: 1.1230 HD23 :: 1.1230 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.5100 Ave N Shift Values>> N :: 121.86(3.9) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> CA :: 56.4370 CB :: 38.7910 CD1 :: 133.7670 CE1 :: 117.9430 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.7240 HA :: 5.0340 HB2 :: 2.9560 HB3 :: 3.0970 HD1 :: 7.1240 HE1 :: 6.8570 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 128.0140 Ave N Shift Values>> N :: 120.52(4.2) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> CA :: 60.3490 CB :: 70.9670 CG2 :: 21.1250 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 :: 8.6590 HA :: 4.8130 HB :: 4.4410 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 :: 115.0970 Ave N Shift Values>> N :: 115.42(4.75) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.4 K 0.09 G 0.03 L 0.01 C Shift Assignments>> CA :: 57.4470 CB :: 29.7740 CG :: 27.0550 CD :: 42.9080 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 :: 8.6490 HA :: 4.1990 HB3 :: 1.9610 HG2 :: 1.7120 HG3 :: 1.7610 HD3 :: 3.2820 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 :: 120.4110 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.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.13 C Shift Assignments>> CA :: 56.6780 CB :: 31.3570 CG :: 25.0710 CD :: 28.5140 CE :: 41.4740 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 :: 8.4060 HA :: 4.1630 HB2 :: 1.8750 HB3 :: 2.0220 HG2 :: 1.4360 HG3 :: 1.4830 HD3 :: 1.7120 HE3 :: 3.0040 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 :: 117.5790 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 C 0.34 K 0.1 G 0.02 C Shift Assignments>> CA :: 55.3050 CB :: 30.7500 CG :: 26.8230 CD :: 42.7850 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9730 HA :: 4.4420 HB2 :: 1.8550 HB3 :: 1.9540 HG3 :: 1.6130 HD3 :: 3.2010 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 :: 116.6620 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.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.21 N 0.14 F 0.08 K 0.07 Y 0.06 C 0.05 C Shift Assignments>> CA :: 53.8910 CB :: 41.0070 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 :: 8.0660 HA :: 4.7600 HB2 :: 2.6050 HB3 :: 2.7310 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 :: 119.7600 Ave N Shift Values>> N :: 120.65(3.86) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.0720 CB :: 64.4730 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4770 HA :: 4.8910 HB2 :: 3.3040 HB3 :: 3.6530 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.7560 Ave N Shift Values>> N :: 116.28(3.52) 1.V48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> CA :: 60.4560 CB :: 33.5380 CG1 :: 21.2030 CG2 :: 20.5870 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 :: 8.3340 HA :: 3.9480 HB :: 1.4430 HG11 :: -0.0990(S) HG12 :: -0.0990(S) HG13 :: -0.0990(S) HG21 :: 0.6340 HG22 :: 0.6340 HG23 :: 0.6340 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 :: 122.7160 Ave N Shift Values>> N :: 121.14(4.54) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.46 A 0.02 R 0.01 C Shift Assignments>> CA :: 53.6910 CB :: 35.8030 CG :: 24.2980 CD :: 28.8590 CE :: 41.2110 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 :: 7.5010 HA :: 5.2710 HB3 :: 1.4140 HG3 :: 1.0770 HD2 :: 1.3840 HD3 :: 1.4940 HE3 :: 2.7210 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 :: 121.5680 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> CA :: 57.7620 CB :: 31.5500 CD1 :: 127.1210 CE3 :: 122.6830 CZ2 :: 114.6810 CZ3 :: 121.9000 CH2 :: 123.3870 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 :: 9.4530 HA :: 4.6650 HB2 :: 2.6590 HB3 :: 3.0230 HD1 :: 7.6360 HE1 :: 9.2100 HE3 :: 7.4730 HZ2 :: 6.1610(S) HZ3 :: 6.7110 HH2 :: 6.6890 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 :: 123.6380 NE1 :: 125.4910 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.32 C 0.31 C Shift Assignments>> CA :: 57.1840 CB :: 30.3250 CD2 :: 118.7100 CE1 :: 138.3000 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.0240 HA :: 4.5390 HB2 :: 3.1680 HB3 :: 3.2690 HD2 :: 7.1330 HE1 :: 7.7640 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 :: 125.3120 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 Y 0.12 H 0.02 W 0.01 C Shift Assignments>> CA :: 59.6990 CB :: 36.5270 CD1 :: 130.4490 CE1 :: 119.3630 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 :: 8.0790 HA :: 4.3520 HB2 :: 2.6610 HB3 :: 3.2100 HD1 :: 6.7080 HE1 :: 6.4460 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.6910 Ave N Shift Values>> N :: 120.52(4.2) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.35 A 0.02 C Shift Assignments>> CA :: 56.0990 CB :: 40.5540 CG :: 26.9750 CD1 :: 24.7450 CD2 :: 22.9140 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 :: 9.3070 HA :: 4.2370 HB2 :: 1.7300 HB3 :: 1.8190 HG :: 1.8610 HD11 :: 0.9380 HD12 :: 0.9380 HD13 :: 0.9380 HD21 :: 0.9460 HD22 :: 0.9460 HD23 :: 0.9460 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.8590 Ave N Shift Values>> N :: 121.86(3.9) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 R 0.13 C 0.13 K 0.12 W 0.11 H 0.09 E 0.09 L 0.06 I 0.05 M 0.01 C Shift Assignments>> CA :: 57.4330 CB :: 28.0660 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4210 HA :: 5.2460 HB2 :: 3.2170 HB3 :: 3.2460 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 :: 114.4150 Ave N Shift Values>> N :: 120.17(4.64) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 C 0.23 A 0.02 C Shift Assignments>> CA :: 54.4380 CB :: 41.0390 CG :: 26.5930 CD1 :: 25.0680 CD2 :: 23.5670 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 :: 7.7020 HA :: 4.7470 HB2 :: 1.2520 HB3 :: 2.2190 HG :: 2.0110 HD11 :: 0.7170 HD12 :: 0.7170 HD13 :: 0.7170 HD21 :: 0.5450 HD22 :: 0.5450 HD23 :: 0.5450 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 :: 122.4130 Ave N Shift Values>> N :: 121.86(3.9) 1.R56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.3010 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.8390 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.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.3 R 0.13 G 0.04 C Shift Assignments>> CA :: 53.6450 CB :: 35.0050 CG :: 27.6200 CD :: 42.5000 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 :: 7.4570 HA :: 5.4860 HB2 :: 1.4730 HB3 :: 1.7350 HG2 :: 1.3500 HG3 :: 1.4400 HD2 :: 2.9070 HD3 :: 2.8900 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 :: 111.5120 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.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 F 0.28 C 0.22 C Shift Assignments>> CA :: 56.1890 CB :: 39.5140 CD2 :: 133.1240 CE2 :: 117.7020 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 :: 8.3400 HA :: 5.5400 HB2 :: 3.1280 HB3 :: 3.5170 HD2 :: 6.8650 HE2 :: 6.3530 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 :: 115.1270 Ave N Shift Values>> N :: 120.52(4.2) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.9000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9500 HA2 :: 4.5290 HA3 :: 4.6500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.9380 Ave N Shift Values>> N :: 109.67(3.87) 1.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.23 G 0.23 HN Overlap>> 1.F67 1.F67 C Shift Assignments>> CA :: 55.4850 CB :: 43.3470 CD1 :: 133.3460 CE1 :: 118.2300 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.0220 HA :: 5.5620 HB2 :: 2.7890 HB3 :: 3.4570 HD1 :: 6.4380 HE1 :: 6.6700 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.1430 Ave N Shift Values>> N :: 120.52(4.2) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.16 C 0.06 F 0.01 C Shift Assignments>> CA :: 55.4420 CB :: 46.0160 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 :: 8.6560 HA :: 3.8300 HB2 :: 2.2290 HB3 :: 2.6960 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 :: 119.2900 Ave N Shift Values>> N :: 120.65(3.86) 1.S62 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 Y 0.12 F 0.12 W 0.1 E 0.07 I 0.06 K 0.05 R 0.05 H 0.04 V 0.04 T 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CB :: 59.1700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9570 HA :: 4.0400 HB3 :: 3.9800 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 :: 119.5610 Ave N Shift Values>> N :: 116.28(3.52) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 C 0.15 D 0.04 Y 0.04 M 0.03 F 0.03 E 0.03 C Shift Assignments>> CA :: 51.9880 CB :: 37.2780 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 :: 8.5020 HA :: 5.1320 HB2 :: 2.9290 HB3 :: 3.1510 HD21 :: 7.6220 HD22 :: 6.8390 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 :: 119.4380 ND2 :: 109.4740 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.3 C 0.14 A 0.02 HN Overlap>> 1.I17 1.I17 C Shift Assignments>> CA :: 53.4510 CB :: 45.7360 CG :: 26.5730 CD1 :: 25.6350 CD2 :: 23.6300 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 :: 8.8070 HA :: 5.5650 HB2 :: 1.1910 HB3 :: 2.0720 HG :: 1.7540 HD11 :: 0.8790 HD12 :: 0.8790 HD13 :: 0.8790 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 :: 120.4810 Ave N Shift Values>> N :: 121.86(3.9) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 F 0.31 Y 0.23 C 0.12 C Shift Assignments>> CA :: 55.1840 CB :: 43.8630 CD2 :: 132.1530 CE2 :: 131.0610 CZ :: 129.9880 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 :: 9.4390 HA :: 5.5270 HB2 :: 2.7820 HB3 :: 3.1950 HD2 :: 7.2220 HE2 :: 7.1530 HZ :: 6.8660 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 :: 120.8150 Ave N Shift Values>> N :: 120.45(4.18) 1.S66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> CA :: 54.9940 CB :: 66.4090 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 :: 5.3870 HB2 :: 2.9630(S) HB3 :: 3.3750 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.2700 Ave N Shift Values>> N :: 116.28(3.52) 1.F67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.47 Y 0.35 C 0.16 HN Overlap>> 1.Y60 1.Y60 C Shift Assignments>> CA :: 55.6990 CB :: 41.9030 CD2 :: 131.9910 CE2 :: 130.1950 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 :: 8.0500 HA :: 5.2610 HB2 :: 2.9200 HB3 :: 3.1480 HD2 :: 6.6930 HE2 :: 5.9430(S) 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 :: 117.1570 Ave N Shift Values>> N :: 120.45(4.18) 1.E68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> M 0.46 C 0.37 E 0.08 Q 0.07 C Shift Assignments>> CA :: 51.7090 CB :: 31.8200 CG :: 35.3000 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>> HA :: 5.7360(S) HB2 :: 1.8800 HB3 :: 2.0200 HG3 :: 2.2300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.S69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.8 S 0.18 C Shift Assignments>> CA :: 56.9060 CB :: 67.8860 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.9300 HA :: 5.2430 HB2 :: 4.0520 HB3 :: 4.9680(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.6560 Ave N Shift Values>> N :: 116.28(3.52) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 45.0000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9390 HA2 :: 4.0300 HA3 :: 4.4580 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.9060 Ave N Shift Values>> N :: 109.67(3.87) 1.R71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.6800 HA :: 4.0170 HB2 :: 1.8810 HB3 :: 2.0320 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 :: 114.6760 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.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.25 R 0.2 K 0.04 G 0.04 C Shift Assignments>> CA :: 54.9280 CB :: 27.0700 CG :: 26.9000 CD :: 42.8660 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 :: 9.3890 HA :: 4.5730 HB3 :: 1.9050 HG2 :: 1.6170 HG3 :: 1.6430 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 :: 121.8010 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.C73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.15 W 0.12 E 0.12 R 0.12 K 0.12 C 0.11 M 0.05 C Shift Assignments>> CA :: 55.9650 CB :: 29.5980 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9940 HA :: 4.8880 HB2 :: 3.1550 HB3 :: 3.9620 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 :: 113.9010 Ave N Shift Values>> N :: 120.17(4.64) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.26 Q 0.22 R 0.1 M 0.02 E 0.02 I 0.01 C Shift Assignments>> CA :: 58.9390 CB :: 28.3400 CG :: 33.2460 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 :: 8.9500 HA :: 4.0960 HB2 :: 1.9960 HB3 :: 2.1930 HG2 :: 2.3050 HG3 :: 2.3590 HE21 :: 7.5840 HE22 :: 6.9100 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 :: 122.8390 NE2 :: 111.6720 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 63.1470 CB :: 70.5910 CG2 :: 20.8260 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 :: 8.3450 HA :: 4.2070 HB :: 4.5530 HG21 :: 1.0990 HG22 :: 1.0990 HG23 :: 1.0990 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 :: 107.2970 Ave N Shift Values>> N :: 115.42(4.75) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.27 G 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 43.9940 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8200 HA2 :: 3.9580 HA3 :: 4.4130 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.6810 Ave N Shift Values>> N :: 109.67(3.87) 1.Q77 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.N24 1.N24 H Shift Assignments>> H :: 8.6220 HB3 :: 1.8850 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 :: 119.9720 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.0560 HA2 :: 3.3620 HA3 :: 3.9650 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.0400 Ave N Shift Values>> N :: 109.67(3.87) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> CA :: 60.1620 CB :: 38.5420 CG2 :: 17.0740 CD1 :: 13.6210 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 :: 8.0210 HA :: 4.2860 HB :: 1.3600 HG12 :: 0.7980 HG13 :: 1.3750 HG21 :: 0.4460 HG22 :: 0.4460 HG23 :: 0.4460 HD11 :: 0.6300 HD12 :: 0.6300 HD13 :: 0.6300 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 :: 121.6450 Ave N Shift Values>> N :: 121.46(4.28) 1.F80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.47 F 0.26 C 0.24 G 0.01 C Shift Assignments>> CA :: 54.9440 CB :: 42.0030 CD2 :: 133.3630 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 :: 8.4760 HA :: 4.6260 HB2 :: 1.4750(S) HB3 :: 2.4480 HD2 :: 6.6750 HE2 :: 7.0880 HZ :: 7.2430 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 :: 123.8900 Ave N Shift Values>> N :: 120.45(4.18) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.23 C 0.12 C Shift Assignments>> CA :: 50.2040 CB :: 22.3350 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1490 HA :: 5.2810 HB1 :: 0.9730 HB2 :: 0.9730 HB3 :: 0.9730 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.8240 Ave N Shift Values>> N :: 123.23(3.54) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.32 G 0.19 C 0.16 C Shift Assignments>> CA :: 55.7050 CB :: 43.4960 CD1 :: 132.1460 CE1 :: 132.1460 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 :: 9.4230 HA :: 5.4450 HB2 :: 2.7360 HB3 :: 3.0500 HD1 :: 7.0680 HE1 :: 7.2410 HZ :: 7.2570 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.0470 Ave N Shift Values>> N :: 120.45(4.18) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.39 R 0.03 C Shift Assignments>> CA :: 54.8280 CB :: 34.0130 CG :: 25.0290 CD :: 29.3810 CE :: 41.1810 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 :: 9.9430 HA :: 5.5050 HB2 :: 1.6510 HB3 :: 1.8800 HG2 :: 1.4780 HG3 :: 1.5750 HD3 :: 1.7030 HE2 :: 2.8520 HE3 :: 2.9330 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 :: 122.9370 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 C 0.14 W 0.14 Q 0.13 E 0.12 H 0.1 R 0.08 I 0.06 M 0.02 L 0.01 C Shift Assignments>> CA :: 58.1750 CB :: 28.8090 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.6890 HA :: 4.7530 HB2 :: 2.2200 HB3 :: 3.1220 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 :: 126.1150 Ave N Shift Values>> N :: 120.17(4.64) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.52 A 0.43 I 0.02 C 0.02 C Shift Assignments>> CA :: 54.7100 CB :: 17.8630 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.4310 HB1 :: 1.6600 HB2 :: 1.6600 HB3 :: 1.6600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.R86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 C 0.31 G 0.23 K 0.01 C Shift Assignments>> CA :: 53.9570 CB :: 30.8030 CG :: 26.2360 CD :: 43.9940 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 :: 7.9640 HA :: 5.0120 HB2 :: 1.6670 HB3 :: 2.8060(S) HG3 :: 1.7950 HD2 :: 3.2600 HD3 :: 3.4770 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 :: 117.2480 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.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.24 I 0.07 C 0.03 C Shift Assignments>> CA :: 55.9710 CB :: 18.0960 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3100 HA :: 3.5230 HB1 :: 1.7110 HB2 :: 1.7110 HB3 :: 1.7110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3690 Ave N Shift Values>> N :: 123.23(3.54) 1.E88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 E 0.26 K 0.16 Q 0.15 I 0.07 M 0.01 C Shift Assignments>> CA :: 58.6960 CB :: 29.0610 CG :: 35.2560 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 :: 8.3760 HA :: 2.4800(S) HB3 :: 1.8940 HG2 :: 1.9900 HG3 :: 2.0190 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 :: 116.2050 Ave N Shift Values>> N :: 120.67(3.48) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.38 I 0.11 K 0.04 M 0.03 Q 0.02 C Shift Assignments>> CA :: 58.9000 CB :: 30.0300 CG :: 36.5760 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 :: 7.4180 HA :: 3.9670 HB3 :: 2.2640 HG2 :: 2.3630 HG3 :: 2.4720 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 :: 119.1880 Ave N Shift Values>> N :: 120.67(3.48) 1.L90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 L 0.49 C Shift Assignments>> CA :: 58.7190 CB :: 41.0130 CG :: 26.8270 CD1 :: 24.1930 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 :: 7.8470 HA :: 3.0140 HB2 :: 0.2380(S) HB3 :: 0.9150 HG :: -0.0540(S) HD11 :: -0.2250(S) HD12 :: -0.2250(S) HD13 :: -0.2250(S) HD21 :: -0.4830(S) HD22 :: -0.4830(S) HD23 :: -0.4830(S) 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 :: 123.6540 Ave N Shift Values>> N :: 121.86(3.9) 1.F91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 W 0.36 H 0.01 C Shift Assignments>> CA :: 61.6960 CD1 :: 126.9430(S) CE1 :: 132.6190 CZ :: 130.4890 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 :: 8.0760 HA :: 3.7930 HB2 :: 2.9710 HB3 :: 3.0710 HD1 :: 7.3130 HE1 :: 7.5060 HZ :: 7.4100 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.7460 Ave N Shift Values>> N :: 120.45(4.18) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 N 0.17 E 0.17 Y 0.15 F 0.11 M 0.06 D 0.03 I 0.02 K 0.01 L 0.01 C Shift Assignments>> CA :: 55.4660 CB :: 37.2810 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 :: 8.6220 HA :: 4.2200 HB2 :: 2.7340 HB3 :: 2.8470 HD21 :: 7.5520 HD22 :: 7.0930 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 :: 117.0170 ND2 :: 111.0300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.44 C Shift Assignments>> CA :: 58.6990 CB :: 32.0480 CG :: 32.1670 CE :: 16.6810 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 :: 8.3160 HA :: 4.0610 HB2 :: 1.9750 HB3 :: 2.2040 HG2 :: 2.4460 HG3 :: 2.6850 HE1 :: 2.1280 HE2 :: 2.1280 HE3 :: 2.1280 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.9140 Ave N Shift Values>> N :: 120.09(3.57) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.38 C Shift Assignments>> CA :: 57.4260 CB :: 41.1000 CG :: 25.9150 CD1 :: 24.3060 CD2 :: 24.9150 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 :: 8.0470 HA :: 3.5800 HB2 :: 1.1280 HB3 :: 1.3080 HG :: 0.8500 HD11 :: 0.2880 HD12 :: 0.2880 HD13 :: 0.2880 HD21 :: 0.2180 HD22 :: 0.2180 HD23 :: 0.2180 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 :: 121.0940 Ave N Shift Values>> N :: 121.86(3.9) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.26 Q 0.26 R 0.06 E 0.05 M 0.02 I 0.01 C Shift Assignments>> CA :: 58.4460 CB :: 28.6870 CG :: 33.6740 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 :: 8.1950 HA :: 3.9140 HB2 :: 1.8110 HB3 :: 1.8400 HG2 :: 1.8860 HG3 :: 2.0690 HE21 :: 7.0060 HE22 :: 6.6600 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.4170 NE2 :: 110.7810 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 K 0.12 I 0.12 Q 0.08 M 0.01 C Shift Assignments>> CA :: 58.9170 CB :: 29.0610 CG :: 35.7810 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 :: 7.6350 HA :: 3.9080 HB3 :: 2.0990 HG2 :: 2.1950 HG3 :: 2.3200 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 :: 119.0960 Ave N Shift Values>> N :: 120.67(3.48) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> 1.V105 1.V105 C Shift Assignments>> CA :: 64.7100 CB :: 38.0500 CG1 :: 29.0610 CG2 :: 17.0380 CD1 :: 14.1420 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 :: 7.9650 HA :: 3.6010 HB :: 1.5600 HG12 :: 0.9310 HG13 :: 1.7310 HG21 :: 0.6590 HG22 :: 0.6590 HG23 :: 0.6590 HD11 :: 0.7340 HD12 :: 0.7340 HD13 :: 0.7340 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 :: 120.8030 Ave N Shift Values>> N :: 121.46(4.28) 1.M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.45 A 0.03 V 0.01 HN Overlap>> 1.N9 1.N9 C Shift Assignments>> CA :: 57.3840 CG :: 32.5680 CE :: 17.3580 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 :: 8.1450 HA :: 4.0200 HG2 :: 2.2230 HG3 :: 2.3270 HE1 :: 1.7490 HE2 :: 1.7490 HE3 :: 1.7490 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 :: 117.0160 Ave N Shift Values>> N :: 120.09(3.57) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.26 K 0.25 R 0.12 E 0.03 M 0.03 C Shift Assignments>> CA :: 56.6410 CB :: 28.1130 CG :: 33.5000 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 :: 7.9300 HA :: 4.2030 HB2 :: 2.1290 HB3 :: 2.1460 HG2 :: 2.4330 HG3 :: 2.4920 HE21 :: 7.4180 HE22 :: 6.8230 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.1500 NE2 :: 111.1740 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.15 C 0.1 Y 0.08 F 0.08 L 0.04 M 0.01 E 0.01 C Shift Assignments>> CA :: 53.4970 CB :: 38.5590 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 :: 7.8720 HA :: 4.7200 HB2 :: 2.8520 HB3 :: 2.9050 HD21 :: 7.7510 HD22 :: 6.9850 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 :: 117.3600 ND2 :: 113.2770 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.14 C 0.09 Y 0.05 F 0.05 L 0.03 C Shift Assignments>> CA :: 52.7000 CB :: 38.5180 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 :: 8.1440 HA :: 4.7600 HB2 :: 2.8620 HB3 :: 2.7200 HD21 :: 7.6380 HD22 :: 6.9770 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 :: 118.6110 ND2 :: 112.3020 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.7000 CB :: 63.1500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2150 HA :: 4.5190 HB3 :: 3.9060 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 :: 115.7040 Ave N Shift Values>> N :: 116.28(3.52) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> CA :: 60.8860 CB :: 38.2350 CG1 :: 26.8700 CG2 :: 17.3780 CD1 :: 12.8840 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 :: 8.0610 HA :: 4.2120 HB :: 1.9470 HG12 :: 1.2360 HG13 :: 1.5130 HG21 :: 0.9760 HG22 :: 0.9760 HG23 :: 0.9760 HD11 :: 0.9090 HD12 :: 0.9090 HD13 :: 0.9090 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.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.17 C 0.08 F 0.06 Y 0.05 L 0.04 C Shift Assignments>> CA :: 52.7340 CB :: 38.8000 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 :: 8.3760 HA :: 4.7820 HB2 :: 2.7720 HB3 :: 2.8230 HD21 :: 7.5710 HD22 :: 6.8810 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.3860 ND2 :: 112.7010 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 HN Overlap>> 1.I97 1.I97 C Shift Assignments>> CA :: 61.6600 CB :: 32.3300 CG1 :: 20.1200 CG2 :: 20.5180 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 :: 8.0670 HA :: 4.1850 HB :: 2.0530 HG11 :: 0.9280 HG12 :: 0.9280 HG13 :: 0.9280 HG21 :: 0.9150 HG22 :: 0.9150 HG23 :: 0.9150 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 :: 120.8300 Ave N Shift Values>> N :: 121.14(4.54) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> CA :: 61.4500 CB :: 32.3450 CG1 :: 20.0000 CG2 :: 20.5000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1670 HA :: 4.1150 HB :: 2.0350 HG11 :: 0.9000 HG12 :: 0.9000 HG13 :: 0.9000 HG21 :: 0.9030 HG22 :: 0.9030 HG23 :: 0.9030 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 :: 124.2490 Ave N Shift Values>> N :: 121.14(4.54) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.28 Q 0.12 M 0.1 K 0.1 I 0.01 HN Overlap>> 1.E112 1.E112 C Shift Assignments>> CA :: 55.6900 CB :: 30.0500 CG :: 35.7800 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4050 HA :: 4.3090 HB2 :: 1.8920 HB3 :: 2.0100 HG2 :: 2.1900 HG3 :: 2.2200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.2880 Ave N Shift Values>> N :: 120.67(3.48) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.27 Q 0.19 K 0.16 M 0.06 C Shift Assignments>> CA :: 53.7250 CB :: 29.4350 CG :: 35.4860 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 :: 8.3920 HA :: 4.5630 HB2 :: 1.8770 HB3 :: 2.0170 HG3 :: 2.2670 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.9900 Ave N Shift Values>> N :: 120.67(3.48) 1.P109 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 :: 62.6700 CB :: 31.6550 CG :: 26.8490 CD :: 50.2350 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 :: 4.4300 HB2 :: 1.8640 HB3 :: 2.2670 HG3 :: 2.0050 HD2 :: 3.6840 HD3 :: 3.8030 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.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> CA :: 61.9900 CB :: 31.8200 CG1 :: 20.8800 CG2 :: 20.3500 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 :: 8.2660 HA :: 4.0760 HB :: 2.0260 HG11 :: 0.9100 HG12 :: 0.9100 HG13 :: 0.9100 HG21 :: 0.9580 HG22 :: 0.9580 HG23 :: 0.9580 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 :: 121.3390 Ave N Shift Values>> N :: 121.14(4.54) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.4 A 0.28 T 0.21 C 0.03 L 0.02 M 0.02 I 0.02 C Shift Assignments>> CG2 :: 20.4720 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 :: 8.2020 HA :: 4.1160 HB :: 2.0320 HG21 :: 0.9020 HG22 :: 0.9020 HG23 :: 0.9020 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 :: 124.7620 Ave N Shift Values>> N :: 121.14(4.54) 1.E112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E107 1.E107 H Shift Assignments>> H :: 8.4790 HB2 :: 1.9330 HB3 :: 2.0030 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.3040 Ave N Shift Values>> N :: 120.67(3.48) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.51 C 0.34 K 0.1 G 0.02 C Shift Assignments>> CA :: 55.3500 CB :: 30.5650 CG :: 26.8210 CD :: 42.7750 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>> HA :: 4.3950 HB2 :: 1.7590 HB3 :: 1.8750 HG3 :: 1.6130 HD3 :: 3.1990 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) 1.N114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.D8 1.D8 H Shift Assignments>> H :: 8.5360 HA :: 4.7540 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 :: 120.4650 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.0110 HA :: 4.7530 HD21 :: 7.4740 HD22 :: 6.7690 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.2820 ND2 :: 112.3480 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.29 R 0.28 G 0.24 F 0.04 D 0.04 C 0.04 Y 0.02 C Shift Assignments>> CA :: 43.9700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.0500 HA3 :: 4.1200 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.29 R 0.28 G 0.24 F 0.04 D 0.04 C 0.04 Y 0.02 C Shift Assignments>> CA :: 43.9700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.0500 HA3 :: 4.1200 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 C 0.01 C Shift Assignments>> CA :: 62.9600 CD :: 49.2200 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 :: 4.3970 HB3 :: 2.2700 HG3 :: 1.9900 HD3 :: 3.6000 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) 2.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.23 L 0.16 F 0.08 Y 0.06 C 0.06 K 0.02 C Shift Assignments>> CA :: 53.5800 CB :: 40.4700 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 :: 8.3710 HA :: 4.4830 HB3 :: 2.6290 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.3000 Ave N Shift Values>> N :: 120.65(3.86) 2.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 L 0.1 C 0.06 C Shift Assignments>> CA :: 50.6970 CB :: 21.5480 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7030 HA :: 4.9990 HB1 :: 0.9940 HB2 :: 0.9940 HB3 :: 0.9940 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9530 Ave N Shift Values>> N :: 123.23(3.54) 2.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> CA :: 60.9170 CB :: 33.8400 CG1 :: 20.8530 CG2 :: 20.3120 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 :: 8.5330 HA :: 4.0460 HB :: 1.5980 HG11 :: 0.6760 HG12 :: 0.6760 HG13 :: 0.6760 HG21 :: 0.6230 HG22 :: 0.6230 HG23 :: 0.6230 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 :: 120.8910 Ave N Shift Values>> N :: 121.14(4.54) 2.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.57 C 0.42 C Shift Assignments>> CA :: 59.5000 CB :: 37.5000 CG1 :: 27.4000 CG2 :: 16.9300 CD1 :: 12.2000 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>> HA :: 4.6300 HB :: 1.6700 HG12 :: 0.9020 HG13 :: 1.3550 HG21 :: 0.6740 HG22 :: 0.6740 HG23 :: 0.6740 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) 2.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 I 0.25 A 0.08 C Shift Assignments>> CA :: 56.9000 CB :: 37.2700 CG1 :: 26.2000 CG2 :: 16.8600 CD1 :: 11.1400 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 :: 8.4060 HA :: 4.3800 HB :: 1.7360 HG12 :: 1.1600 HG13 :: 1.3530 HG21 :: 0.6640 HG22 :: 0.6640 HG23 :: 0.6640 HD11 :: 0.5220 HD12 :: 0.5220 HD13 :: 0.5220 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.9010 Ave N Shift Values>> N :: 121.46(4.28) 2.G9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T34 1.T34 H Shift Assignments>> H :: 8.7170 HA3 :: 3.7540 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.9370 Ave N Shift Values>> N :: 109.67(3.87) 2.M10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 C 0.34 A 0.13 C Shift Assignments>> CA :: 55.1900 CB :: 32.5500 CG :: 31.5700 CE :: 16.6200 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 :: 8.6740 HA :: 4.4300 HB2 :: 2.0100 HB3 :: 2.1040 HG2 :: 2.5200 HG3 :: 2.5820 HE1 :: 2.0700 HE2 :: 2.0700 HE3 :: 2.0700 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 :: 123.0560 Ave N Shift Values>> N :: 120.09(3.57) 2.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 62.4700 CB :: 69.5820 CG2 :: 21.5880 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 :: 8.3900 HA :: 4.2260 HB :: 4.0680 HG21 :: 1.1220 HG22 :: 1.1220 HG23 :: 1.1220 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 :: 118.9660 Ave N Shift Values>> N :: 115.42(4.75) 2.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 C 0.36 R 0.05 C Shift Assignments>> CA :: 54.6300 CB :: 32.5450 CG :: 24.9900 CD :: 28.8120 CE :: 41.2330 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 :: 8.4800 HA :: 4.4140 HB2 :: 1.4570 HB3 :: 1.5470 HG3 :: 1.1370 HD3 :: 1.5230 HE3 :: 2.7760 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 :: 126.1700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.38 C Shift Assignments>> CA :: 57.9000 CB :: 38.7600 CG1 :: 26.8000 CG2 :: 15.6450 CD1 :: 15.0900 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 :: 9.2440 HA :: 4.0500 HB :: 1.8140 HG12 :: 1.4100 HG13 :: 1.4400 HG21 :: 0.3340 HG22 :: 0.3340 HG23 :: 0.3340 HD11 :: 0.5800 HD12 :: 0.5800 HD13 :: 0.5800 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.5540 Ave N Shift Values>> N :: 121.46(4.28) 2.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.59 C 0.4 C Shift Assignments>> CA :: 61.8000 CB :: 30.9600 CG :: 27.0700 CD :: 50.2150 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 :: 4.6300 HB2 :: 1.8210 HB3 :: 2.2050 HG2 :: 1.8310 HG3 :: 2.0830 HD2 :: 3.4800 HD3 :: 4.0400 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) 2.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.06 A 0.04 C Shift Assignments>> CA :: 57.9310 CB :: 34.5400 CG1 :: 20.5740 CG2 :: 17.8970 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 :: 7.8860 HA :: 4.8710 HB :: 1.6030 HG11 :: 0.5380 HG12 :: 0.5380 HG13 :: 0.5380 HG21 :: 0.5220 HG22 :: 0.5220 HG23 :: 0.5220 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.4680 Ave N Shift Values>> N :: 121.14(4.54) 2.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.46 A 0.02 C Shift Assignments>> CA :: 58.2600 CB :: 40.5500 CG1 :: 25.8560 CG2 :: 17.4610 CD1 :: 13.5900 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 :: 8.7730 HA :: 4.5250 HB :: 1.8300 HG12 :: 1.1980 HG13 :: 1.2860 HG21 :: 0.9600 HG22 :: 0.9600 HG23 :: 0.9600 HD11 :: 0.9430 HD12 :: 0.9430 HD13 :: 0.9430 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 :: 117.7410 Ave N Shift Values>> N :: 121.46(4.28) 2.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.43 C 0.36 M 0.11 K 0.04 Q 0.02 I 0.01 C Shift Assignments>> CA :: 55.1500 CB :: 30.3500 CG :: 36.7000 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>> HA :: 4.5260 HB2 :: 1.9600 HB3 :: 1.9800 HG2 :: 2.1400 HG3 :: 2.3800 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) 2.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.65 D 0.12 C 0.12 G 0.03 L 0.02 F 0.02 Y 0.01 C Shift Assignments>> CA :: 49.2360 CB :: 39.0160 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 :: 5.1470 HB2 :: 2.5090 HB3 :: 2.5260 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) 2.P19 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 :: 64.1500 CB :: 31.8600 CG :: 26.8100 CD :: 51.0280 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 :: 4.6300 HB2 :: 2.1200 HB3 :: 2.4800 HG3 :: 2.1630 HD2 :: 4.2550 HD3 :: 4.4200 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.25 C 0.24 E 0.1 R 0.05 M 0.01 C Shift Assignments>> CA :: 55.9400 CB :: 28.4820 CG :: 34.3020 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 :: 7.7190 HA :: 4.3550 HB2 :: 2.0110 HB3 :: 2.3950 HG2 :: 2.3840 HG3 :: 2.5190 HE21 :: 7.6430 HE22 :: 6.9560 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 :: 113.6970 NE2 :: 110.9250 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.PTR21 Overall Status: Residue type PTR not supported. 2.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.39 F 0.38 C 0.21 C Shift Assignments>> CA :: 57.3400 CB :: 39.0480 CD1 :: 132.0700 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>> HA :: 4.6190 HB2 :: 2.9860 HB3 :: 3.2010 HD1 :: 7.2630 HE1 :: 7.3640 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) 2.G23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 125 #Clerical: 0 #Suspicious: 13 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 127 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 138 #Suspicious: 0 C Shift Results: #Consistent: 415 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 837 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 0 N Shift Results: #Consistent: 132 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.N24 ND2 = 120.2830(S), Expected = 112.75, Std = 2.2300, ChiSquare = 7.3008e-04 1.V48 HG11 = -0.0990(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.5281e-04 1.V48 HG12 = -0.0990(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.5281e-04 1.V48 HG13 = -0.0990(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.5281e-04 1.W50 HZ2 = 6.1610(S), Expected = 7.28, Std = 0.3300, ChiSquare = 6.9661e-04 1.S62 Typing: Suspicious 1.S66 HB2 = 2.9630(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.4446e-04 1.F67 HE2 = 5.9430(S), Expected = 7.08, Std = 0.3200, ChiSquare = 3.8068e-04 1.E68 HA = 5.7360(S), Expected = 4.25, Std = 0.4100, ChiSquare = 2.8964e-04 1.S69 HB3 = 4.9680(S), Expected = 3.85, Std = 0.2700, ChiSquare = 3.4619e-05 1.F80 HB2 = 1.4750(S), Expected = 3.00, Std = 0.3700, ChiSquare = 3.7621e-05 1.R86 HB3 = 2.8060(S), Expected = 1.76, Std = 0.2800, ChiSquare = 1.8718e-04 1.E88 HA = 2.4800(S), Expected = 4.25, Std = 0.4100, ChiSquare = 1.5811e-05 1.L90 HB2 = 0.2380(S), Expected = 1.61, Std = 0.3400, ChiSquare = 5.4534e-05 1.L90 HG = -0.0540(S), Expected = 1.51, Std = 0.3300, ChiSquare = 2.1436e-06 1.L90 HD11 = -0.2250(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9742e-04 1.L90 HD12 = -0.2250(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9742e-04 1.L90 HD13 = -0.2250(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9742e-04 1.L90 HD21 = -0.4830(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8799e-05 1.L90 HD22 = -0.4830(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8799e-05 1.L90 HD23 = -0.4830(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.8799e-05 1.F91 CD1 = 126.9430(S), Expected = 131.58, Std = 1.1800, ChiSquare = 8.5066e-05