Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.47 C 0.37 A 0.15 C Shift Assignments>> C :: 172.4010 CA :: 55.6830 CB :: 34.7130 CG :: 31.3300 CE :: 17.4000 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>> HA :: 4.2240 HB2 :: 2.0800 HB3 :: 2.0800 HG2 :: 2.6240 HG3 :: 2.5690 HE1 :: 2.0920 HE2 :: 2.0920 HE3 :: 2.0920 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) 1.R2 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.1 G 0.07 C Shift Assignments>> C :: 176.0310 CA :: 56.3980 CB :: 31.2520 CG :: 27.8600 CD :: 43.4600 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 :: 10.4330(S) HA :: 5.1250 HB2 :: 2.0310 HB3 :: 2.0310 HG2 :: 1.7980 HG3 :: 1.7980 HD2 :: 3.1920 HD3 :: 3.1920 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.8360 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.V3 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>> C :: 173.0870 CA :: 61.0820 CB :: 34.4510 CG1 :: 20.6430 CG2 :: 21.8300 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.1270 HA :: 4.6570 HB :: 2.0000 HG11 :: 0.7890 HG12 :: 0.7890 HG13 :: 0.7890 HG21 :: 0.3270 HG22 :: 0.3270 HG23 :: 0.3270 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.2720 Ave N Shift Values>> N :: 121.14(4.54) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 C 0.28 R 0.23 G 0.11 C Shift Assignments>> C :: 174.9270 CA :: 53.9860 CB :: 43.3680 CG :: 28.8120 CD1 :: 25.3810 CD2 :: 24.9380 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 :: 8.9180 HA :: 5.0890 HB2 :: 1.1170 HB3 :: 1.7430 HG :: 1.5680 HD11 :: 0.7470 HD12 :: 0.7470 HD13 :: 0.7470 HD21 :: 0.7630 HD22 :: 0.7630 HD23 :: 0.7630 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.4450 Ave N Shift Values>> N :: 121.86(3.9) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 172.4750 CA :: 60.6310 CB :: 39.7630 CG1 :: 26.7960 CG2 :: 18.9610 CD1 :: 15.1370 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 :: 8.2920 HA :: 4.2480 HB :: 1.7030 HG12 :: 0.7890 HG13 :: 1.6380 HG21 :: 0.8610 HG22 :: 0.8610 HG23 :: 0.8610 HD11 :: 0.7890 HD12 :: 0.7890 HD13 :: 0.7890 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.5980 Ave N Shift Values>> N :: 121.46(4.28) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.2 R 0.18 G 0.14 C 0.04 K 0.03 F 0.02 N 0.02 Y 0.01 HN Overlap>> 1.Y25 1.Y25 C Shift Assignments>> C :: 177.9760 CA :: 52.3710 CB :: 43.2830 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 :: 8.0500 HA :: 4.9650 HB2 :: 3.2880 HB3 :: 2.9100 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 :: 119.3720 Ave N Shift Values>> N :: 120.65(3.86) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.H55 1.H55 C Shift Assignments>> C :: 175.5770 CA :: 66.5850 CB :: 69.1630 CG2 :: 22.9460 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.0190 HA :: 3.6760 HB :: 4.1780 HG21 :: 1.3270 HG22 :: 1.3270 HG23 :: 1.3270 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.0530 Ave N Shift Values>> N :: 115.42(4.75) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 E 0.23 Y 0.19 F 0.12 I 0.07 M 0.05 N 0.02 K 0.01 C Shift Assignments>> C :: 177.0280 CA :: 57.4940 CB :: 37.1150 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 :: 8.6640 HA :: 4.2690 HB2 :: 2.8320 HB3 :: 2.8320 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 :: 116.8070 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 176.9130 CA :: 62.6400 CB :: 35.3940 CG1 :: 28.0370 CG2 :: 18.2970 CD1 :: 11.1420 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 :: 7.2890 HA :: 3.7670 HB :: 2.2730 HG12 :: 1.2580 HG13 :: 1.5370 HG21 :: 0.8610 HG22 :: 0.8610 HG23 :: 0.8610 HD11 :: 0.7700 HD12 :: 0.7700 HD13 :: 0.7700 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.5190 Ave N Shift Values>> N :: 121.46(4.28) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.38 R 0.08 G 0.04 C Shift Assignments>> C :: 178.7840 CA :: 57.6690 CB :: 42.8300 CG :: 26.2660 CD1 :: 25.9800 CD2 :: 22.3700 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 :: 7.2090 HA :: 3.7330 HB2 :: 1.4540 HB3 :: 2.0540 HG :: 1.7780 HD11 :: 0.8890 HD12 :: 0.8890 HD13 :: 0.8890 HD21 :: 0.7620 HD22 :: 0.7620 HD23 :: 0.7620 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 :: 117.6730 Ave N Shift Values>> N :: 121.86(3.9) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 178.4130 CA :: 65.8760 CB :: 38.3020 CG1 :: 29.8080 CG2 :: 17.3950 CD1 :: 15.1980 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 :: 8.7440 HA :: 3.3800 HB :: 1.8170 HG12 :: 0.9430 HG13 :: 1.8610 HG21 :: 0.8570 HG22 :: 0.8570 HG23 :: 0.8570 HD11 :: 0.9410 HD12 :: 0.9410 HD13 :: 0.9410 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 :: 117.9950 Ave N Shift Values>> N :: 121.46(4.28) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.S117 1.S117 C Shift Assignments>> C :: 176.2780 CA :: 63.5900 CB :: 63.1600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4200 HA :: 3.8380 HB2 :: 3.9330 HB3 :: 3.9330 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.6440 Ave N Shift Values>> N :: 116.28(3.52) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 176.7470 CA :: 54.5800 CB :: 18.1000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7150 HA :: 4.2280 HB1 :: 1.1100 HB2 :: 1.1100 HB3 :: 1.1100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.0240 Ave N Shift Values>> N :: 123.23(3.54) 1.S14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9590 CA :: 59.9200 CB :: 62.7600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3990 HA :: 3.0270(S) HB2 :: 2.8440(S) HB3 :: 3.0910 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 :: 109.5230 Ave N Shift Values>> N :: 116.28(3.52) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 G 0.29 L 0.27 A 0.04 R 0.03 C Shift Assignments>> C :: 178.1950 CA :: 56.3100 CB :: 44.2460 CG :: 26.0200 CD1 :: 22.1710 CD2 :: 25.8300 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 :: 7.1210 HA :: 4.1160 HB2 :: 1.2240 HB3 :: 1.6160 HG :: 1.4760 HD11 :: 0.1550 HD12 :: 0.1550 HD13 :: 0.1550 HD21 :: 0.3190 HD22 :: 0.3190 HD23 :: 0.3190 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 :: 122.8010 Ave N Shift Values>> N :: 121.86(3.9) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.1960 CA :: 57.2100 CB :: 64.6590 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5930 HA :: 4.4600 HB2 :: 3.6210 HB3 :: 3.8290 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.0060 Ave N Shift Values>> N :: 116.28(3.52) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.21 C 0.17 K 0.11 Q 0.09 I 0.06 H 0.05 E 0.03 C Shift Assignments>> C :: 173.7410 CA :: 57.2570 CB :: 26.4420 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2420 HA :: 3.8590 HB2 :: 2.3760 HB3 :: 2.3760 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 :: 121.1200 Ave N Shift Values>> N :: 120.17(4.64) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.22 Q 0.06 K 0.02 HN Overlap>> 1.D89 1.D89 C Shift Assignments>> C :: 176.5360 CA :: 56.0610 CB :: 31.2460 CG :: 36.0060 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 :: 7.9430 HA :: 4.4180 HB2 :: 1.7830 HB3 :: 2.0450 HG2 :: 2.1460 HG3 :: 2.1460 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 :: 119.0770 Ave N Shift Values>> N :: 120.67(3.48) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.28 R 0.21 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.9280 CA :: 44.2000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1970 HA2 :: 4.1320 HA3 :: 4.3750 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6780 Ave N Shift Values>> N :: 109.67(3.87) 1.T20 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>> C :: 173.9500 CA :: 67.6900 CB :: 67.6700 CG2 :: 22.5000 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 :: 8.7230 HA :: 4.0690 HB :: 4.2840 HG21 :: 1.1990 HG22 :: 1.1990 HG23 :: 1.1990 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 :: 115.1450 Ave N Shift Values>> N :: 115.42(4.75) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.43 C Shift Assignments>> C :: 177.7200 CA :: 67.3470 CB :: 31.8610 CG :: 28.5800 CD :: 50.2400 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 :: 4.0620 HB2 :: 2.3830 HB3 :: 1.9000 HG2 :: 2.2310 HG3 :: 1.9340 HD2 :: 3.9960 HD3 :: 3.7060 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.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 HN Overlap>> 1.F114 1.F114 C Shift Assignments>> C :: 176.6870 CA :: 62.5100 CB :: 38.5600 CD1 :: 133.8000 CD2 :: 133.8000 CE1 :: 118.2000 CE2 :: 118.2000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.5230 HA :: 4.1400 HB2 :: 2.8090 HB3 :: 3.3750 HD1 :: 7.1600 HD2 :: 7.1600 HE1 :: 6.8880 HE2 :: 6.8880 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.3410 Ave N Shift Values>> N :: 120.52(4.2) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.24 E 0.07 R 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 179.2930 CA :: 58.7360 CB :: 28.6010 CG :: 34.0140 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 :: 7.9240 HA :: 3.9100 HB2 :: 2.1460 HB3 :: 2.2650 HG2 :: 2.5500 HG3 :: 2.6250 HE21 :: 7.4720 HE22 :: 6.8490 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 :: 116.0710 NE2 :: 111.4000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.32 I 0.06 C 0.03 C Shift Assignments>> C :: 177.7600 CA :: 55.7470 CB :: 18.4390 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7680 HA :: 4.1240 HB1 :: 1.6430 HB2 :: 1.6430 HB3 :: 1.6430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5090 Ave N Shift Values>> N :: 123.23(3.54) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 HN Overlap>> 1.D6 1.D6 C Shift Assignments>> C :: 175.5390 CA :: 61.7930 CB :: 37.8700 CD1 :: 132.3600 CD2 :: 132.3600 CE1 :: 117.9000 CE2 :: 117.9000 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 :: 8.1160 HA :: 3.8700 HB2 :: 3.1880 HB3 :: 2.7960 HD1 :: 6.6230 HD2 :: 6.6230 HE1 :: 6.5000 HE2 :: 6.5000 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.4420 Ave N Shift Values>> N :: 120.52(4.2) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 I 0.25 C Shift Assignments>> C :: 179.8980 CA :: 61.3420 CB :: 35.8730 CG1 :: 27.2620 CG2 :: 17.6330 CD1 :: 9.5140 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 :: 8.0980 HA :: 3.3970 HB :: 1.7680 HG12 :: 1.1330 HG13 :: 1.1330 HG21 :: 0.7560 HG22 :: 0.7560 HG23 :: 0.7560 HD11 :: 0.5730 HD12 :: 0.5730 HD13 :: 0.5730 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.6780 Ave N Shift Values>> N :: 121.46(4.28) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.12 C Shift Assignments>> C :: 178.7670 CA :: 59.1400 CB :: 32.2490 CG :: 25.4600 CD :: 29.5100 CE :: 42.0900 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 :: 8.0530 HA :: 3.9730 HB2 :: 1.8510 HB3 :: 1.8510 HG2 :: 1.0130 HG3 :: 1.3510 HD2 :: 1.4130 HD3 :: 0.8940 HE2 :: 2.5000 HE3 :: 2.6670 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 :: 121.8130 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.32 C 0.07 V 0.03 L 0.03 I 0.03 HN Overlap>> 1.L115 1.L115 C Shift Assignments>> C :: 175.1380 CA :: 55.6200 CB :: 19.5360 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3450 HA :: 3.9840 HB1 :: 1.3380 HB2 :: 1.3380 HB3 :: 1.3380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.8320 Ave N Shift Values>> N :: 123.23(3.54) 1.V29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.87 V 0.11 C Shift Assignments>> C :: 177.5320 CA :: 59.8680 CB :: 31.6710 CG1 :: 21.8390 CG2 :: 17.4120 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.8760 HA :: 4.4180 HB :: 2.2090 HG11 :: 0.5310 HG12 :: 0.5310 HG13 :: 0.5310 HG21 :: 0.5150 HG22 :: 0.5150 HG23 :: 0.5150 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 :: 100.1940(S) Ave N Shift Values>> N :: 121.14(4.54) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.9030 CA :: 62.5950 CB :: 70.0560 CG2 :: 20.8430 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 :: 7.2720 HA :: 4.2700 HB :: 4.0640 HG21 :: 1.3590 HG22 :: 1.3590 HG23 :: 1.3590 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 :: 119.2950 Ave N Shift Values>> N :: 115.42(4.75) 1.H31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 C 0.44 C Shift Assignments>> C :: 174.1170 CA :: 56.5030 CB :: 29.8520 CD2 :: 119.8030 CE1 :: 138.4250 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 :: 8.9650 HA :: 4.5000 HB2 :: 3.1020 HB3 :: 3.2560 HD2 :: 7.1470 HE1 :: 8.0800 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 :: 128.8450 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.71 P 0.27 C Shift Assignments>> C :: 175.8770 CA :: 63.5020 CB :: 33.3810 CG :: 24.6060 CD :: 49.8000 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 :: 3.6420 HB2 :: 2.1770 HB3 :: 1.5480 HG2 :: 1.7850 HG3 :: 1.4500 HD2 :: 3.4100 HD3 :: 3.3500 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.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.27 L 0.09 F 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 172.7240 CA :: 53.3290 CB :: 39.6080 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 :: 9.0860 HA :: 5.1300 HB2 :: 2.8440 HB3 :: 2.9740 HD21 :: 7.6630 HD22 :: 7.0600 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.9940 ND2 :: 111.7100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.65 C 0.34 HN Overlap>> 1.E44 1.E44 C Shift Assignments>> C :: 173.1510 CA :: 54.1840 CB :: 30.9700 CD2 :: 118.9900 CE1 :: 137.2700 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 :: 8.5410 HA :: 4.9310 HB2 :: 3.0680 HB3 :: 3.1660 HD2 :: 6.9420 HE1 :: 8.6730 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.9770 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.3240 CA :: 45.3590 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.3220 HA2 :: 3.1170 HA3 :: 4.7370 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.5150 Ave N Shift Values>> N :: 109.67(3.87) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 C 0.36 M 0.14 I 0.01 C Shift Assignments>> C :: 173.6270 CA :: 53.9710 CB :: 38.0570 CG :: 31.1360 CE :: 17.2000 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 :: 8.9760 HA :: 5.6840 HB2 :: 1.7900 HB3 :: 2.0140 HG2 :: 2.2870 HG3 :: 2.3580 HE1 :: 1.8260 HE2 :: 1.8260 HE3 :: 1.8260 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 :: 121.2310 Ave N Shift Values>> N :: 120.09(3.57) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 I 0.05 V 0.04 C Shift Assignments>> C :: 174.0290 CA :: 59.2850 CB :: 36.5420 CG1 :: 23.9420 CG2 :: 19.7360 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 :: 8.8200 HA :: 4.6690 HB :: 2.3080 HG11 :: 1.1260 HG12 :: 1.1260 HG13 :: 1.1260 HG21 :: 0.7910 HG22 :: 0.7910 HG23 :: 0.7910 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.1760 Ave N Shift Values>> N :: 121.14(4.54) 1.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 E 0.16 Q 0.16 R 0.15 C 0.13 K 0.12 M 0.06 I 0.01 C Shift Assignments>> C :: 176.6880 CA :: 56.6700 CB :: 29.8700 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.6130 HA :: 5.6150 HB2 :: 2.8530 HB3 :: 2.9430 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 :: 120.1430 Ave N Shift Values>> N :: 120.17(4.64) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 I 0.13 D 0.03 L 0.02 E 0.01 N 0.01 C Shift Assignments>> C :: 178.9640 CA :: 58.1700 CB :: 38.8750 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 :: 8.8940 HA :: 4.0750 HB2 :: 2.8300 HB3 :: 2.6350 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 :: 126.5090 Ave N Shift Values>> N :: 120.65(3.86) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.24 K 0.22 R 0.07 E 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 178.3240 CA :: 59.0600 CB :: 28.2210 CG :: 33.9000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.4710 HA :: 4.1780 HB2 :: 1.9200 HB3 :: 2.1800 HG2 :: 2.3520 HG3 :: 2.5520 HE21 :: 7.7010 HE22 :: 6.9030 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.6490 NE2 :: 111.1300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.11 D 0.05 L 0.04 N 0.01 C Shift Assignments>> C :: 176.5970 CA :: 58.1400 CB :: 39.5090 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 :: 7.8880 HA :: 4.5660 HB2 :: 2.7410 HB3 :: 3.0530 HD21 :: 8.1230 HD22 :: 6.3940 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.9370 ND2 :: 107.6000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 177.5050 CA :: 63.6180 CB :: 36.0510 CG1 :: 27.5940 CG2 :: 17.5220 CD1 :: 11.0600 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.0860 HA :: 3.7050 HB :: 2.2280 HG12 :: 1.2380 HG13 :: 1.5490 HG21 :: 0.9700 HG22 :: 0.9700 HG23 :: 0.9700 HD11 :: 0.7540 HD12 :: 0.7540 HD13 :: 0.7540 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 :: 117.4940 Ave N Shift Values>> N :: 121.46(4.28) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 K 0.16 L 0.12 C 0.1 D 0.07 I 0.05 R 0.01 C Shift Assignments>> C :: 179.1790 CA :: 57.9720 CB :: 41.1320 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 :: 7.6750 HA :: 4.3950 HB2 :: 2.7300 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 :: 119.8330 Ave N Shift Values>> N :: 120.65(3.86) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.33 I 0.11 M 0.04 K 0.01 HN Overlap>> 1.H34 1.H34 C Shift Assignments>> C :: 178.3890 CA :: 59.5980 CB :: 30.6840 CG :: 36.8920 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 :: 8.4560 HA :: 3.9730 HB2 :: 2.1000 HB3 :: 2.3930 HG2 :: 2.3620 HG3 :: 2.6630 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 :: 119.0420 Ave N Shift Values>> N :: 120.67(3.48) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.3 R 0.2 G 0.04 C Shift Assignments>> C :: 177.9950 CA :: 58.5700 CB :: 42.8650 CG :: 27.0410 CD1 :: 24.7170 CD2 :: 26.8300 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0540 HA :: 3.9710 HB2 :: 1.7720 HB3 :: 2.3080 HG :: 1.7000 HD11 :: 0.9430 HD12 :: 0.9430 HD13 :: 0.9430 HD21 :: 0.9320 HD22 :: 0.9320 HD23 :: 0.9320 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 :: 120.7180 Ave N Shift Values>> N :: 121.86(3.9) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 R 0.2 G 0.12 K 0.05 C Shift Assignments>> C :: 178.8900 CA :: 60.5470 CB :: 29.8410 CG :: 29.1000 CD :: 43.4220 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 :: 8.0630 HA :: 3.8470 HB2 :: 1.9620 HB3 :: 1.8390 HG2 :: 1.4990 HG3 :: 1.8410 HD2 :: 3.1770 HD3 :: 3.1770 HE :: 7.6650 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 :: 116.4550 NE :: 84.4700 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.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.3 G 0.14 K 0.03 HN Overlap>> 1.E136 1.E136 C Shift Assignments>> C :: 179.4690 CA :: 60.2420 CB :: 30.5060 CG :: 28.2590 CD :: 43.7330 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 :: 8.1870 HA :: 4.0750 HB2 :: 1.9200 HB3 :: 2.0330 HG2 :: 1.6190 HG3 :: 1.8640 HD2 :: 3.1770 HD3 :: 3.2730 HE :: 7.4600 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.9310 NE :: 85.1500 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.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 178.6040 CA :: 67.0050 CB :: 31.3820 CG1 :: 23.0560 CG2 :: 21.0640 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 :: 8.5690 HA :: 3.6730 HB :: 2.2590 HG11 :: 1.1020 HG12 :: 1.1020 HG13 :: 1.1020 HG21 :: 0.9410 HG22 :: 0.9410 HG23 :: 0.9410 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 :: 120.2030 Ave N Shift Values>> N :: 121.14(4.54) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 178.2920 CA :: 63.1710 CB :: 38.7560 CD1 :: 134.0000 CD2 :: 134.0000 CE1 :: 118.1700 CE2 :: 118.1700 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 :: 8.1840 HA :: 4.0530 HB2 :: 2.7230 HB3 :: 3.1970 HD1 :: 7.1600 HD2 :: 7.1600 HE1 :: 6.5900 HE2 :: 6.5900 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.6700 Ave N Shift Values>> N :: 120.52(4.2) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.24 C 0.16 D 0.09 N 0.08 I 0.05 L 0.05 E 0.02 C Shift Assignments>> C :: 176.3260 CA :: 56.6130 CB :: 38.8900 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 :: 8.1260 HA :: 4.3150 HB2 :: 2.7700 HB3 :: 2.8890 HD21 :: 7.5100 HD22 :: 6.9010 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 :: 114.0360 ND2 :: 111.8400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.42 K 0.07 G 0.06 C Shift Assignments>> C :: 177.6060 CA :: 57.9580 CB :: 31.6390 CG :: 27.3730 CD :: 43.4220 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 :: 7.6280 HA :: 4.2350 HB2 :: 1.8290 HB3 :: 1.8290 HG2 :: 1.6990 HG3 :: 1.6170 HD2 :: 3.1790 HD3 :: 3.1790 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.1460 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.K52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 C 0.44 R 0.07 C Shift Assignments>> C :: 176.2410 CA :: 57.5160 CB :: 33.8900 CG :: 24.9920 CD :: 28.8970 CE :: 41.8730 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5350 HA :: 4.1210 HB2 :: 0.7910(S) HB3 :: 0.8980 HG2 :: 0.8970 HG3 :: 1.1180 HD2 :: 1.3870 HD3 :: 1.3410 HE2 :: 2.7850 HE3 :: 2.7850 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.1320 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.78 C 0.21 C Shift Assignments>> C :: 174.0910 CA :: 53.8830 CB :: 39.6860 CD1 :: 132.4000 CD2 :: 132.4000 CE1 :: 130.6000 CE2 :: 130.6000 CZ :: 129.4900 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.9890 HA :: 5.3010 HB2 :: 2.8320 HB3 :: 2.6370 HD1 :: 6.5520 HD2 :: 6.5520 HE1 :: 6.8300 HE2 :: 6.8300 HZ :: 6.9830 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.2690 Ave N Shift Values>> N :: 120.45(4.18) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 178.8960 CA :: 65.5150 CB :: 30.9560 CG :: 27.7840 CD :: 50.4600 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.3490 HB2 :: 2.4220 HB3 :: 1.9650 HG2 :: 2.0450 HG3 :: 1.8400 HD2 :: 3.6060 HD3 :: 3.1730 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.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.56 C 0.43 HN Overlap>> 1.T7 1.T7 C Shift Assignments>> C :: 176.3710 CA :: 56.5800 CB :: 28.8500 CD2 :: 118.6000 CE1 :: 138.2230 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 :: 8.9300 HA :: 4.8970 HB2 :: 3.3460 HB3 :: 3.3460 HD2 :: 7.2220 HE1 :: 8.2490 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 :: 116.0480 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.35 R 0.1 C Shift Assignments>> C :: 176.6830 CA :: 55.3150 CB :: 32.8640 CG :: 24.7170 CD :: 29.2550 CE :: 42.1820 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 :: 8.2900 HA :: 4.9540 HB2 :: 1.8530 HB3 :: 2.4220 HG2 :: 1.0850 HG3 :: 1.1240 HD2 :: 1.3900 HD3 :: 1.5590 HE2 :: 2.9040 HE3 :: 2.9040 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.2080 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.2420 CA :: 64.2050 CB :: 37.5480 CG1 :: 29.1740 CG2 :: 18.0660 CD1 :: 13.1110 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 :: 7.4360 HA :: 3.8700 HB :: 2.0570 HG12 :: 1.5360 HG13 :: 1.7120 HG21 :: 1.0460 HG22 :: 1.0460 HG23 :: 1.0460 HD11 :: 1.0040 HD12 :: 1.0040 HD13 :: 1.0040 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 :: 120.7860 Ave N Shift Values>> N :: 121.46(4.28) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.17 K 0.13 I 0.1 E 0.09 R 0.05 C Shift Assignments>> C :: 178.7260 CA :: 59.6100 CB :: 27.6780 CG :: 34.5900 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 :: 8.7070 HA :: 4.1100 HB2 :: 2.1170 HB3 :: 2.1170 HG2 :: 2.4250 HG3 :: 2.5000 HE21 :: 7.5940 HE22 :: 6.9260 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 :: 119.3090 NE2 :: 112.4900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.34 I 0.03 C 0.02 C Shift Assignments>> C :: 181.0720 CA :: 55.1800 CB :: 17.8170 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6830 HA :: 4.1550 HB1 :: 1.6350 HB2 :: 1.6350 HB3 :: 1.6350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.9440 Ave N Shift Values>> N :: 123.23(3.54) 1.L60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 L 0.33 A 0.01 C Shift Assignments>> C :: 178.4180 CA :: 58.0720 CB :: 39.0700 CG :: 26.4590 CD1 :: 25.3800 CD2 :: 22.0680 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 :: 7.6730 HA :: 3.8360 HB2 :: 1.7370 HB3 :: 0.3340(S) HG :: 1.2140 HD11 :: 0.5110 HD12 :: 0.5110 HD13 :: 0.5110 HD21 :: 0.5390 HD22 :: 0.5390 HD23 :: 0.5390 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 :: 121.6320 Ave N Shift Values>> N :: 121.86(3.9) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.28 I 0.16 K 0.11 Q 0.07 C Shift Assignments>> C :: 180.2700 CA :: 59.2540 CB :: 28.5740 CG :: 35.7850 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 :: 8.2580 HA :: 4.0070 HB2 :: 2.0680 HB3 :: 2.0680 HG2 :: 2.3400 HG3 :: 2.4300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.5800 Ave N Shift Values>> N :: 120.67(3.48) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.41 G 0.08 K 0.03 HN Overlap>> 1.A65 1.F63 1.A65 1.F63 C Shift Assignments>> C :: 178.5230 CA :: 59.4900 CB :: 30.1840 CG :: 27.6900 CD :: 43.5000 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 :: 7.9740 HA :: 4.1280 HB2 :: 2.0000 HB3 :: 1.9500 HG2 :: 1.8760 HG3 :: 1.6740 HD2 :: 3.2730 HD3 :: 3.2310 HE :: 7.3370 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.9780 NE :: 84.5700 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.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 HN Overlap>> 1.A65 1.A65 1.R62 1.R62 C Shift Assignments>> C :: 178.1330 CA :: 61.6310 CB :: 38.9250 CD1 :: 131.9650 CD2 :: 131.9650 CE1 :: 130.3000 CE2 :: 130.3000 CZ :: 129.5000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.9040 HA :: 4.2810 HB2 :: 3.2470 HB3 :: 3.3530 HD1 :: 7.0700 HD2 :: 7.0700 HE1 :: 6.7240 HE2 :: 6.7240 HZ :: 6.2270 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 :: 120.0390 Ave N Shift Values>> N :: 120.45(4.18) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.43 R 0.02 A 0.01 C Shift Assignments>> C :: 177.7990 CA :: 57.6770 CB :: 41.6790 CG :: 26.8000 CD1 :: 25.1320 CD2 :: 22.0020 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 :: 9.1200 HA :: 3.7560 HB2 :: 1.3950 HB3 :: 1.8860 HG :: 1.8610 HD11 :: 0.8150 HD12 :: 0.8150 HD13 :: 0.8150 HD21 :: 0.7860 HD22 :: 0.7860 HD23 :: 0.7860 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6060 Ave N Shift Values>> N :: 121.86(3.9) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.38 I 0.03 C 0.02 HN Overlap>> 1.F63 1.R62 1.F63 1.R62 C Shift Assignments>> C :: 180.1050 CA :: 54.8710 CB :: 17.7140 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8900 HA :: 4.0180 HB1 :: 1.4860 HB2 :: 1.4860 HB3 :: 1.4860 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9890 Ave N Shift Values>> N :: 123.23(3.54) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 179.0850 CA :: 62.7050 CB :: 38.3300 CG1 :: 28.1480 CG2 :: 17.1900 CD1 :: 12.2730 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 :: 6.9160 HA :: 3.9500 HB :: 1.8400 HG12 :: 1.1970 HG13 :: 1.5980 HG21 :: 0.8600 HG22 :: 0.8600 HG23 :: 0.8600 HD11 :: 0.8600 HD12 :: 0.8600 HD13 :: 0.8600 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.1060 Ave N Shift Values>> N :: 121.46(4.28) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.03 C 0.02 C Shift Assignments>> C :: 179.9570 CA :: 55.1940 CB :: 18.2100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8360 HA :: 4.0300 HB1 :: 0.7790 HB2 :: 0.7790 HB3 :: 0.7790 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8610 Ave N Shift Values>> N :: 123.23(3.54) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.4 A 0.06 C Shift Assignments>> C :: 178.0110 CA :: 56.7310 CB :: 39.5940 CG :: 27.1960 CD1 :: 25.0930 CD2 :: 21.6290 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 :: 8.4920 HA :: 4.1890 HB2 :: 1.6120 HB3 :: 1.8650 HG :: 1.7790 HD11 :: 0.8640 HD12 :: 0.8640 HD13 :: 0.8640 HD21 :: 0.7160 HD22 :: 0.7160 HD23 :: 0.7160 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 :: 112.8250 Ave N Shift Values>> N :: 121.86(3.9) 1.T69 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>> C :: 175.6810 CA :: 63.6370 CB :: 69.9180 CG2 :: 21.5750 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 :: 7.7750 HA :: 4.4600 HB :: 4.3800 HG21 :: 1.3700 HG22 :: 1.3700 HG23 :: 1.3700 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.0380 Ave N Shift Values>> N :: 115.42(4.75) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 175.4170 CA :: 61.9000 CB :: 33.6820 CG1 :: 21.6180 CG2 :: 19.6250 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 :: 7.3420 HA :: 4.5770 HB :: 2.2510 HG11 :: 0.9260 HG12 :: 0.9260 HG13 :: 0.9260 HG21 :: 0.9080 HG22 :: 0.9080 HG23 :: 0.9080 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.5560 Ave N Shift Values>> N :: 121.14(4.54) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.4 C 0.13 A 0.01 C Shift Assignments>> C :: 175.7150 CA :: 53.6310 CB :: 44.6760 CG :: 25.7000 CD1 :: 25.7000 CD2 :: 24.0430 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 :: 7.7880 HA :: 4.3870 HB2 :: 0.9970 HB3 :: 1.5520 HG :: 1.8270 HD11 :: 0.7060 HD12 :: 0.7060 HD13 :: 0.7060 HD21 :: 0.6510 HD22 :: 0.6510 HD23 :: 0.6510 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 :: 121.7420 Ave N Shift Values>> N :: 121.86(3.9) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.32 M 0.26 Q 0.06 K 0.01 C Shift Assignments>> C :: 174.9600 CA :: 55.6810 CB :: 31.4600 CG :: 35.8960 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1950 HA :: 4.4290 HB2 :: 2.0500 HB3 :: 2.0500 HG2 :: 2.1470 HG3 :: 2.1470 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 :: 123.1990 Ave N Shift Values>> N :: 120.67(3.48) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 176.9650 CA :: 61.3890 CB :: 31.2190 CG1 :: 21.0640 CG2 :: 21.0640 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 :: 8.6240 HA :: 4.6400 HB :: 1.9620 HG11 :: 0.7640 HG12 :: 0.7640 HG13 :: 0.7640 HG21 :: 0.7640 HG22 :: 0.7640 HG23 :: 0.7640 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.9310 Ave N Shift Values>> N :: 121.14(4.54) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.19 A 0.02 C Shift Assignments>> C :: 173.2900 CA :: 58.2600 CB :: 31.5510 CG1 :: 19.2300 CG2 :: 21.6800 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.3060 HA :: 4.8320 HB :: 2.3000 HG11 :: 0.7450 HG12 :: 0.7450 HG13 :: 0.7450 HG21 :: 0.9540 HG22 :: 0.9540 HG23 :: 0.9540 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.8470 Ave N Shift Values>> N :: 121.14(4.54) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 176.6620 CA :: 62.0460 CB :: 32.5150 CG :: 27.3730 CD :: 50.8380 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 :: 4.6700 HB2 :: 1.8270 HB3 :: 2.2750 HG2 :: 2.0100 HG3 :: 2.0100 HD2 :: 3.8150 HD3 :: 3.7050 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.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 173.3600 CA :: 60.8840 CB :: 69.3110 CG2 :: 21.8390 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 :: 8.6510 HA :: 4.4050 HB :: 4.1230 HG21 :: 1.2220 HG22 :: 1.2220 HG23 :: 1.2220 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 :: 118.3910 Ave N Shift Values>> N :: 115.42(4.75) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 175.9000 CA :: 62.4700 CB :: 32.2200 CG :: 27.4700 CD :: 50.8300 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 :: 2.3300 HB3 :: 1.8620 HG2 :: 1.8870 HG3 :: 1.8870 HD2 :: 3.4600 HD3 :: 3.9900 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.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.01 HN Overlap>> 1.D80 1.D80 C Shift Assignments>> C :: 177.8600 CA :: 52.2000 CB :: 19.3200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4360 HA :: 4.3290 HB1 :: 1.4090 HB2 :: 1.4090 HB3 :: 1.4090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.6950 Ave N Shift Values>> N :: 123.23(3.54) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 HN Overlap>> 1.V81 1.V81 C Shift Assignments>> C :: 175.3500 CA :: 62.2000 CB :: 32.7000 CG1 :: 20.9800 CG2 :: 20.9800 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 :: 8.0860 HA :: 4.0600 HB :: 2.0300 HG11 :: 0.9340 HG12 :: 0.9340 HG13 :: 0.9340 HG21 :: 0.9340 HG22 :: 0.9340 HG23 :: 0.9340 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.1460 Ave N Shift Values>> N :: 121.14(4.54) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.25 K 0.14 F 0.07 N 0.07 Y 0.05 C 0.04 R 0.04 HN Overlap>> 1.A78 1.A78 C Shift Assignments>> C :: 176.4000 CA :: 54.0000 CB :: 41.6800 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 :: 8.4460 HA :: 4.6980 HB2 :: 2.7150 HB3 :: 2.6110 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 :: 124.6420 Ave N Shift Values>> N :: 120.65(3.86) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 HN Overlap>> 1.V79 1.V79 C Shift Assignments>> C :: 176.3790 CA :: 62.1020 CB :: 32.3700 CG1 :: 21.2540 CG2 :: 19.9490 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 :: 8.1040 HA :: 4.2120 HB :: 2.2340 HG11 :: 0.9560 HG12 :: 0.9560 HG13 :: 0.9560 HG21 :: 0.9480 HG22 :: 0.9480 HG23 :: 0.9480 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.1480 Ave N Shift Values>> N :: 121.14(4.54) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6900 CA :: 59.0570 CB :: 63.9690 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4200 HA :: 4.3830 HB2 :: 3.8770 HB3 :: 3.9730 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 :: 118.1570 Ave N Shift Values>> N :: 116.28(3.52) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.22 K 0.13 F 0.12 Y 0.09 N 0.06 C 0.06 R 0.01 C Shift Assignments>> C :: 176.8450 CA :: 55.0890 CB :: 41.2050 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 :: 8.1550 HA :: 4.5650 HB2 :: 2.6270 HB3 :: 2.7410 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.9650 Ave N Shift Values>> N :: 120.65(3.86) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 I 0.08 K 0.07 M 0.04 Q 0.04 C Shift Assignments>> C :: 176.9700 CA :: 57.9000 CB :: 29.8070 CG :: 36.4270 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 :: 8.3690 HA :: 4.1060 HB2 :: 1.9990 HB3 :: 2.0720 HG2 :: 2.3080 HG3 :: 2.3080 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.1810 Ave N Shift Values>> N :: 120.67(3.48) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.23 C 0.02 HN Overlap>> 1.R88 1.R88 C Shift Assignments>> C :: 178.3420 CA :: 53.6950 CB :: 18.7920 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1670 HA :: 4.1550 HB1 :: 1.4180 HB2 :: 1.4180 HB3 :: 1.4180 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.8120 Ave N Shift Values>> N :: 123.23(3.54) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.32 R 0.05 G 0.01 C Shift Assignments>> C :: 177.7880 CA :: 56.1270 CB :: 42.2900 CG :: 27.1000 CD1 :: 25.0560 CD2 :: 23.4990 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 :: 7.8890 HA :: 4.2350 HB2 :: 1.6200 HB3 :: 1.7390 HG :: 1.6460 HD11 :: 0.9390 HD12 :: 0.9390 HD13 :: 0.9390 HD21 :: 0.8740 HD22 :: 0.8740 HD23 :: 0.8740 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.2930 Ave N Shift Values>> N :: 121.86(3.9) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 HN Overlap>> 1.E129 1.E129 C Shift Assignments>> C :: 176.5000 CA :: 63.1350 CB :: 32.2900 CG1 :: 21.3960 CG2 :: 21.3960 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 :: 7.6520 HA :: 3.9700 HB :: 2.1310 HG11 :: 0.9560 HG12 :: 0.9560 HG13 :: 0.9560 HG21 :: 0.8980 HG22 :: 0.8980 HG23 :: 0.8980 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 :: 118.2980 Ave N Shift Values>> N :: 121.14(4.54) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.41 G 0.07 K 0.04 HN Overlap>> 1.A85 1.A85 C Shift Assignments>> C :: 176.2100 CA :: 57.1600 CB :: 30.6100 CG :: 27.1300 CD :: 43.4800 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 :: 8.2040 HA :: 4.2310 HB2 :: 1.8520 HB3 :: 1.7880 HG2 :: 1.6500 HG3 :: 1.5940 HD2 :: 3.1950 HD3 :: 3.1950 HE :: 7.3050 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 :: 122.8520 NE :: 84.7400 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.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.12 N 0.08 F 0.08 Y 0.05 C 0.05 R 0.02 HN Overlap>> 1.E18 1.E18 C Shift Assignments>> C :: 176.3300 CA :: 54.0700 CB :: 41.4400 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 :: 7.9670 HA :: 4.6280 HB2 :: 2.7350 HB3 :: 2.6470 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 :: 119.1700 Ave N Shift Values>> N :: 120.65(3.86) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.25 C 0.02 C Shift Assignments>> C :: 178.2300 CA :: 53.9910 CB :: 18.8590 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4180 HA :: 4.1550 HB1 :: 1.4290 HB2 :: 1.4290 HB3 :: 1.4290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.4160 Ave N Shift Values>> N :: 123.23(3.54) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2500 CA :: 59.5000 CB :: 63.6660 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1340 HA :: 4.2830 HB2 :: 3.8760 HB3 :: 3.9530 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.6840 Ave N Shift Values>> N :: 116.28(3.52) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 178.3300 CA :: 52.5050 CB :: 19.2770 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9290 HA :: 4.3470 HB1 :: 1.4070 HB2 :: 1.4070 HB3 :: 1.4070 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4020 Ave N Shift Values>> N :: 123.23(3.54) 1.R93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.7400 CA :: 65.9000 CB :: 31.8900 CG :: 27.9500 CD :: 50.9100 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 :: 4.4390 HB2 :: 2.1260 HB3 :: 2.3050 HG2 :: 2.1570 HG3 :: 1.9320 HD2 :: 3.8070 HD3 :: 3.9500 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.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 176.5230 CA :: 63.6250 CB :: 37.1770 CG1 :: 29.2550 CG2 :: 18.2800 CD1 :: 12.0300 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 :: 7.4040 HA :: 3.7900 HB :: 2.0490 HG12 :: 1.5280 HG13 :: 1.8040 HG21 :: 0.9250 HG22 :: 0.9250 HG23 :: 0.9250 HD11 :: 0.8530 HD12 :: 0.8530 HD13 :: 0.8530 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.0580 Ave N Shift Values>> N :: 121.46(4.28) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 R 0.01 C Shift Assignments>> C :: 178.5020 CA :: 57.3140 CB :: 41.1910 CG :: 27.4000 CD1 :: 25.1880 CD2 :: 23.8310 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.7530 HA :: 3.8020 HB2 :: 1.7490 HB3 :: 1.7490 HG :: 1.4240 HD11 :: 0.7480 HD12 :: 0.7480 HD13 :: 0.7480 HD21 :: 0.7480 HD22 :: 0.7480 HD23 :: 0.7480 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 :: 120.9950 Ave N Shift Values>> N :: 121.86(3.9) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.33 G 0.15 K 0.01 C Shift Assignments>> C :: 179.8360 CA :: 59.6860 CB :: 29.6700 CG :: 27.9400 CD :: 43.8700 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 :: 8.0990 HA :: 3.8700 HB2 :: 1.8940 HB3 :: 1.8940 HG2 :: 1.8670 HG3 :: 1.8670 HD2 :: 3.2320 HD3 :: 3.2320 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.4080 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.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.38 C 0.03 I 0.02 C Shift Assignments>> C :: 178.9500 CA :: 55.0320 CB :: 18.8700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4140 HA :: 4.0530 HB1 :: 1.5550 HB2 :: 1.5550 HB3 :: 1.5550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.6260 Ave N Shift Values>> N :: 123.23(3.54) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.39 I 0.04 C 0.03 C Shift Assignments>> C :: 178.7410 CA :: 55.2800 CB :: 18.2790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1970 HA :: 3.7220 HB1 :: 1.4070 HB2 :: 1.4070 HB3 :: 1.4070 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.3230 Ave N Shift Values>> N :: 123.23(3.54) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 180.6070 CA :: 64.7010 CB :: 38.5300 CG1 :: 29.7830 CG2 :: 16.8350 CD1 :: 13.6850 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 :: 8.1150 HA :: 3.7790 HB :: 1.8090 HG12 :: 1.1500 HG13 :: 1.6400 HG21 :: 0.9170 HG22 :: 0.9170 HG23 :: 0.9170 HD11 :: 0.8370 HD12 :: 0.8370 HD13 :: 0.8370 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 :: 117.9950 Ave N Shift Values>> N :: 121.46(4.28) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 178.7680 CA :: 55.1840 CB :: 18.0440 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0540 HA :: 4.1240 HB1 :: 1.5100 HB2 :: 1.5100 HB3 :: 1.5100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1880 Ave N Shift Values>> N :: 123.23(3.54) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C 0.01 HN Overlap>> 1.L131 1.L131 C Shift Assignments>> C :: 175.7020 CA :: 51.3510 CB :: 18.6980 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8400 HA :: 4.4180 HB1 :: 1.4070 HB2 :: 1.4070 HB3 :: 1.4070 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.8770 Ave N Shift Values>> N :: 123.23(3.54) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.35 K 0.16 L 0.02 G 0.01 C Shift Assignments>> C :: 176.8820 CA :: 56.6710 CB :: 28.5490 CG :: 24.8100 CD :: 29.2000 CE :: 42.4000 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 :: 7.8490 HA :: 3.8590 HB2 :: 1.7770 HB3 :: 1.9520 HG2 :: 1.3600 HG3 :: 1.3600 HD2 :: 1.7000 HD3 :: 1.7000 HE2 :: 3.0100 HE3 :: 3.0100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.2830 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.24 C 0.01 HN Overlap>> 1.H137 1.H137 C Shift Assignments>> C :: 176.9560 CA :: 52.9860 CB :: 18.1660 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3420 HA :: 3.9270 HB1 :: 1.1140 HB2 :: 1.1140 HB3 :: 1.1140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.0990 Ave N Shift Values>> N :: 123.23(3.54) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.28 G 0.18 C 0.07 F 0.06 D 0.04 Y 0.03 K 0.01 C Shift Assignments>> C :: 177.1370 CA :: 56.8480 CB :: 44.1200 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 :: 9.3480 HA :: 4.7830 HB2 :: 2.6610 HB3 :: 2.9080 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 :: 120.7160 Ave N Shift Values>> N :: 120.65(3.86) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 V 0.05 L 0.02 C Shift Assignments>> C :: 172.1460 CA :: 59.7920 CB :: 37.2800 CG1 :: 23.0500 CG2 :: 23.0500 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 :: 7.7410 HA :: 5.1130 HB :: 1.7490 HG11 :: 0.8250 HG12 :: 0.8250 HG13 :: 0.8250 HG21 :: 0.9520 HG22 :: 0.9520 HG23 :: 0.9520 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.2700 Ave N Shift Values>> N :: 121.14(4.54) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.18 L 0.16 R 0.01 C Shift Assignments>> C :: 173.5390 CA :: 53.5000 CB :: 45.4190 CG :: 28.2000 CD1 :: 25.4200 CD2 :: 25.7900 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 :: 9.1130 HA :: 5.1700 HB2 :: 1.6760 HB3 :: 0.7790 HG :: 1.3670 HD11 :: 0.6330 HD12 :: 0.6330 HD13 :: 0.6330 HD21 :: 0.4690 HD22 :: 0.4690 HD23 :: 0.4690 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.3220 Ave N Shift Values>> N :: 121.86(3.9) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 174.3710 CA :: 60.1380 CB :: 32.0500 CG1 :: 20.9990 CG2 :: 20.9990 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 :: 8.5870 HA :: 4.8970 HB :: 1.6350 HG11 :: 0.6440 HG12 :: 0.6440 HG13 :: 0.6440 HG21 :: 0.0200 HG22 :: 0.0200 HG23 :: 0.0200 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.2170 Ave N Shift Values>> N :: 121.14(4.54) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.14 C Shift Assignments>> C :: 171.0490 CA :: 60.6680 CB :: 68.7160 CG2 :: 20.3000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.1290 HA :: 4.8650 HB :: 4.0540 HG21 :: 1.0810 HG22 :: 1.0810 HG23 :: 1.0810 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.7910 Ave N Shift Values>> N :: 115.42(4.75) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.5590 CA :: 44.9000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8540 HA2 :: 3.5170 HA3 :: 4.6570 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.5200 Ave N Shift Values>> N :: 109.67(3.87) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 K 0.16 F 0.08 Y 0.06 N 0.05 C 0.05 R 0.04 C Shift Assignments>> C :: 177.0080 CA :: 54.6220 CB :: 41.6890 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 :: 9.0440 HA :: 4.4060 HB2 :: 2.9320 HB3 :: 2.2760 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 :: 124.8700 Ave N Shift Values>> N :: 120.65(3.86) 1.R112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.42 K 0.07 G 0.04 C Shift Assignments>> C :: 177.2670 CA :: 59.3230 CB :: 29.8820 CG :: 26.8200 CD :: 43.0900 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 :: 8.9080 HA :: 3.9160 HB2 :: 1.8630 HB3 :: 1.8950 HG2 :: 1.7450 HG3 :: 1.6470 HD2 :: 3.1910 HD3 :: 3.1910 HE :: 7.3600 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 :: 129.5110 NE :: 84.2300 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.D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.27 C 0.14 D 0.09 I 0.07 L 0.07 N 0.03 C Shift Assignments>> C :: 179.3440 CA :: 57.2940 CB :: 39.4700 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 :: 8.3730 HA :: 4.3040 HB2 :: 2.4580 HB3 :: 2.5050 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 :: 117.8620 Ave N Shift Values>> N :: 120.65(3.86) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 Y 0.29 F 0.22 HN Overlap>> 1.Y22 1.Y22 C Shift Assignments>> C :: 179.2760 CA :: 57.5000 CB :: 37.9000 CD1 :: 130.0000 CD2 :: 130.0000 CE1 :: 132.1000 CE2 :: 132.1000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.5040 HA :: 4.7030 HB2 :: 3.2290 HB3 :: 3.2290 HD1 :: 7.1900 HD2 :: 7.1900 HE1 :: 7.4500 HE2 :: 7.4500 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.3410 Ave N Shift Values>> N :: 120.45(4.18) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.44 R 0.04 G 0.01 HN Overlap>> 1.A28 1.A28 C Shift Assignments>> C :: 178.6080 CA :: 58.6590 CB :: 42.2000 CG :: 26.9340 CD1 :: 25.2700 CD2 :: 22.6500 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 :: 8.3780 HA :: 3.9040 HB2 :: 1.6230 HB3 :: 1.7490 HG :: 1.4880 HD11 :: 0.7640 HD12 :: 0.7640 HD13 :: 0.7640 HD21 :: 0.8690 HD22 :: 0.8690 HD23 :: 0.8690 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 :: 121.7510 Ave N Shift Values>> N :: 121.86(3.9) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.33 K 0.11 Q 0.05 I 0.05 M 0.01 C Shift Assignments>> C :: 176.8900 CA :: 55.7610 CB :: 28.7290 CG :: 36.4490 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 :: 7.9870 HA :: 4.5320 HB2 :: 1.9650 HB3 :: 2.3530 HG2 :: 2.2990 HG3 :: 2.4030 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.1690 Ave N Shift Values>> N :: 120.67(3.48) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.S12 1.S12 C Shift Assignments>> C :: 175.7510 CA :: 61.0180 CB :: 64.5550 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4400 HA :: 4.2010 HB2 :: 3.9840 HB3 :: 4.4560 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.7120 Ave N Shift Values>> N :: 116.28(3.52) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.1650 CA :: 45.5160 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5320 HA2 :: 4.1700 HA3 :: 3.7460 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.9460 Ave N Shift Values>> N :: 109.67(3.87) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.8420 CA :: 61.8410 CB :: 37.7350 CG1 :: 28.5910 CG2 :: 17.7440 CD1 :: 12.6520 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 :: 7.6590 HA :: 3.9960 HB :: 1.8630 HG12 :: 1.2220 HG13 :: 1.4580 HG21 :: 0.9430 HG22 :: 0.9430 HG23 :: 0.9430 HD11 :: 0.8670 HD12 :: 0.8670 HD13 :: 0.8670 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.7330 Ave N Shift Values>> N :: 121.46(4.28) 1.T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.7930 CA :: 61.9210 CB :: 69.9000 CG2 :: 21.5070 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 :: 8.5750 HA :: 4.4600 HB :: 4.3880 HG21 :: 1.1820 HG22 :: 1.1820 HG23 :: 1.1820 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 :: 115.4600 Ave N Shift Values>> N :: 115.42(4.75) 1.N121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.35 L 0.12 C 0.06 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.1840 CA :: 51.2100 CB :: 40.6840 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 :: 6.8740 HA :: 4.6690 HB2 :: 2.6620 HB3 :: 2.7810 HD21 :: 7.5400 HD22 :: 6.8190 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 :: 120.5030 ND2 :: 111.5900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.8 P 0.19 C Shift Assignments>> C :: 173.3840 CA :: 62.3570 CB :: 33.3530 CG :: 24.6740 CD :: 49.9100 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 :: 4.5320 HB2 :: 1.4590 HB3 :: 1.9770 HG2 :: 1.3330 HG3 :: 1.3120 HD2 :: 3.3630 HD3 :: 3.2230 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.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.4 R 0.13 C Shift Assignments>> C :: 175.6730 CA :: 56.7060 CB :: 32.9200 CG :: 25.0800 CD :: 29.2600 CE :: 42.2300 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 :: 7.4270 HA :: 4.1670 HB2 :: 1.8140 HB3 :: 1.8140 HG2 :: 1.4690 HG3 :: 1.5800 HD2 :: 1.7050 HD3 :: 1.7050 HE2 :: 3.0120 HE3 :: 3.0660 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.4580 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 176.2510 CA :: 61.1670 CB :: 37.7470 CG1 :: 27.2620 CG2 :: 18.8860 CD1 :: 14.8500 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 :: 4.8850 HB :: 1.8140 HG12 :: 1.7510 HG13 :: 0.6670 HG21 :: 0.7030 HG22 :: 0.7030 HG23 :: 0.7030 HD11 :: 0.6930 HD12 :: 0.6930 HD13 :: 0.6930 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 :: 128.7990 Ave N Shift Values>> N :: 121.46(4.28) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.1 A 0.02 C Shift Assignments>> C :: 174.3860 CA :: 58.4670 CB :: 36.5350 CG1 :: 22.5660 CG2 :: 19.8450 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 :: 8.7560 HA :: 4.9760 HB :: 2.5290 HG11 :: 0.8890 HG12 :: 0.8890 HG13 :: 0.8890 HG21 :: 0.8180 HG22 :: 0.8180 HG23 :: 0.8180 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.6490 Ave N Shift Values>> N :: 121.14(4.54) 1.T126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.51 C 0.48 C Shift Assignments>> C :: 176.5660 CA :: 60.2380 CB :: 72.0390 CG2 :: 22.9170 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 :: 8.2890 HA :: 5.0900 HB :: 4.7940 HG21 :: 1.4850 HG22 :: 1.4850 HG23 :: 1.4850 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.6590 Ave N Shift Values>> N :: 115.42(4.75) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.23 I 0.08 C 0.03 V 0.01 C Shift Assignments>> C :: 178.5400 CA :: 56.1420 CB :: 18.2260 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8120 HA :: 3.7900 HB1 :: 1.3070 HB2 :: 1.3070 HB3 :: 1.3070 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1100 Ave N Shift Values>> N :: 123.23(3.54) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.36 I 0.04 C 0.03 C Shift Assignments>> C :: 181.0240 CA :: 55.5190 CB :: 18.3880 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3790 HA :: 3.9390 HB1 :: 1.4400 HB2 :: 1.4400 HB3 :: 1.4400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.0180 Ave N Shift Values>> N :: 123.23(3.54) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.36 I 0.1 M 0.04 K 0.01 HN Overlap>> 1.V87 1.V87 C Shift Assignments>> C :: 180.1540 CA :: 58.7630 CB :: 30.4240 CG :: 37.0610 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 :: 7.7100 HA :: 3.9730 HB2 :: 1.9880 HB3 :: 2.3760 HG2 :: 2.2980 HG3 :: 2.2980 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 :: 118.2810 Ave N Shift Values>> N :: 120.67(3.48) 1.F130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 177.8280 CA :: 60.1650 CB :: 39.2060 CD1 :: 131.1000 CD2 :: 131.1000 CE1 :: 131.2000 CE2 :: 131.2000 CZ :: 129.0000 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 :: 8.9210 HA :: 4.3930 HB2 :: 3.1860 HB3 :: 3.3340 HD1 :: 7.1400 HD2 :: 7.1400 HE1 :: 7.3350 HE2 :: 7.3350 HZ :: 6.8650 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 :: 120.9320 Ave N Shift Values>> N :: 120.45(4.18) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.37 R 0.05 A 0.01 HN Overlap>> 1.A102 1.A102 C Shift Assignments>> C :: 178.0780 CA :: 57.5350 CB :: 41.5440 CG :: 26.6000 CD1 :: 22.3450 CD2 :: 26.3000 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 :: 7.8340 HA :: 3.6080 HB2 :: 1.5410 HB3 :: 1.8740 HG :: 1.9470 HD11 :: 0.7520 HD12 :: 0.7520 HD13 :: 0.7520 HD21 :: 0.9960 HD22 :: 0.9960 HD23 :: 0.9960 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 :: 116.8680 Ave N Shift Values>> N :: 121.86(3.9) 1.Q132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.24 E 0.06 M 0.05 R 0.04 C Shift Assignments>> C :: 176.6010 CA :: 56.3190 CB :: 29.1850 CG :: 33.7420 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 :: 7.2740 HA :: 4.2010 HB2 :: 2.0340 HB3 :: 2.2280 HG2 :: 2.3840 HG3 :: 2.4400 HE21 :: 7.4290 HE22 :: 6.7710 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 :: 115.6000 NE2 :: 111.6900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.48 A 0.02 C Shift Assignments>> C :: 176.4200 CA :: 57.5840 CB :: 33.6220 CG :: 31.6600 CE :: 17.1600 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.4620 HA :: 4.1050 HB2 :: 2.0590 HB3 :: 2.0590 HG2 :: 2.7000 HG3 :: 2.5440 HE1 :: 2.0960 HE2 :: 2.0960 HE3 :: 2.0960 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.6920 Ave N Shift Values>> N :: 120.09(3.57) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.32 K 0.08 M 0.08 Q 0.07 I 0.03 C Shift Assignments>> C :: 176.5620 CA :: 56.6500 CB :: 30.0060 CG :: 36.1170 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 :: 8.3610 HA :: 4.1740 HB2 :: 1.8130 HB3 :: 1.9900 HG2 :: 2.0710 HG3 :: 2.0710 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.1970 Ave N Shift Values>> N :: 120.67(3.48) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 R 0.04 G 0.01 A 0.01 C Shift Assignments>> C :: 177.5230 CA :: 55.7600 CB :: 42.2000 CG :: 27.0000 CD1 :: 25.1300 CD2 :: 23.6650 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 :: 8.0810 HA :: 4.2120 HB2 :: 1.5140 HB3 :: 1.6350 HG :: 1.6000 HD11 :: 0.8870 HD12 :: 0.8870 HD13 :: 0.8870 HD21 :: 0.8340 HD22 :: 0.8340 HD23 :: 0.8340 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 :: 122.4560 Ave N Shift Values>> N :: 121.86(3.9) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.11 Q 0.07 K 0.06 I 0.02 HN Overlap>> 1.R47 1.R47 C Shift Assignments>> C :: 176.2240 CA :: 56.6380 CB :: 30.4100 CG :: 36.1170 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 :: 8.1140 HA :: 4.1550 HB2 :: 1.8970 HB3 :: 1.8970 HG2 :: 2.1440 HG3 :: 2.2060 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 :: 119.8470 Ave N Shift Values>> N :: 120.67(3.48) 1.H137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.17 K 0.16 E 0.13 R 0.13 C 0.12 M 0.05 L 0.01 I 0.01 HN Overlap>> 1.A104 1.A104 C Shift Assignments>> C :: 174.6100 CA :: 55.7500 CB :: 29.3100 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 :: 8.3200 HA :: 4.5790 HB2 :: 3.0600 HB3 :: 3.1070 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 :: 119.1030 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.6 C 0.39 C Shift Assignments>> C :: 174.4800 CA :: 55.6500 CB :: 29.5300 CD2 :: 119.8000 CE1 :: 136.9500 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 :: 8.4030 HA :: 4.5960 HB2 :: 3.1360 HB3 :: 3.0530 HD2 :: 7.1070 HE1 :: 8.3260 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 :: 119.5560 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H140 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.17 Q 0.17 R 0.15 E 0.14 K 0.13 C 0.13 M 0.06 C Shift Assignments>> C :: 173.7500 CA :: 55.8600 CB :: 29.6600 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 :: 4.6330 HB2 :: 3.1850 HB3 :: 3.1850 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.H142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 H 0.16 Q 0.15 R 0.14 C 0.14 K 0.12 M 0.05 I 0.02 C Shift Assignments>> C :: 178.9600 CA :: 57.2500 CB :: 29.7800 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 :: 8.2640 HA :: 4.4470 HB2 :: 3.1110 HB3 :: 3.2270 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 :: 125.3340 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 137 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 139 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 142 #Suspicious: 0 C Shift Results: #Consistent: 625 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1002 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 142 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.R2 H = 10.4330(S), Expected = 8.24, Std = 0.6100, ChiSquare = 3.2429e-04 1.S14 HA = 3.0270(S), Expected = 4.48, Std = 0.4000, ChiSquare = 2.8069e-04 1.S14 HB2 = 2.8440(S), Expected = 3.88, Std = 0.2500, ChiSquare = 3.4130e-05 1.V29 N = 100.1940(S), Expected = 121.14, Std = 4.5400, ChiSquare = 3.9565e-06 1.K52 HB2 = 0.7910(S), Expected = 1.78, Std = 0.2500, ChiSquare = 7.6215e-05 1.L60 HB3 = 0.3340(S), Expected = 1.52, Std = 0.3600, ChiSquare = 9.8616e-04