Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.8850 CA :: 45.3680 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.8930 HA3 :: 3.8930 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 K 0.13 F 0.11 Y 0.08 N 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.6800 CA :: 54.8650 CB :: 41.2000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2940 HA :: 4.5610 HB2 :: 2.6510 HB3 :: 2.6510 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 :: 120.6590 Ave N Shift Values>> N :: 120.65(3.86) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.15 C 0.02 C Shift Assignments>> C :: 177.8220 CA :: 53.3390 CB :: 19.1650 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2630 HA :: 4.2100 HB1 :: 1.3610 HB2 :: 1.3610 HB3 :: 1.3610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.7940 Ave N Shift Values>> N :: 123.23(3.54) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 C Shift Assignments>> C :: 177.7070 CA :: 52.8700 CB :: 19.2820 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1940 HA :: 4.3380 HB1 :: 1.3930 HB2 :: 1.3930 HB3 :: 1.3930 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4050 Ave N Shift Values>> N :: 123.23(3.54) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.3 R 0.09 A 0.03 G 0.01 HN Overlap>> 1.D51 1.D51 C Shift Assignments>> C :: 177.1260 CA :: 55.2510 CB :: 42.2740 CG :: 27.4600 CD1 :: 23.0960 CD2 :: 25.3800 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 :: 7.9460 HA :: 4.3230 HB2 :: 1.6290 HB3 :: 1.6290 HG :: 1.5910 HD11 :: 0.8580 HD12 :: 0.8580 HD13 :: 0.8580 HD21 :: 0.8580 HD22 :: 0.8580 HD23 :: 0.8580 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 :: 118.9060 Ave N Shift Values>> N :: 121.86(3.9) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.29 K 0.06 C Shift Assignments>> C :: 176.7250 CA :: 55.2640 CB :: 41.5500 CD1 :: 24.3600 CD2 :: 26.0550 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 :: 8.0520 HA :: 4.2470 HB2 :: 1.6130 HB3 :: 1.6130 HD11 :: 0.8790 HD12 :: 0.8790 HD13 :: 0.8790 HD21 :: 0.8790 HD22 :: 0.8790 HD23 :: 0.8790 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 :: 120.2960 Ave N Shift Values>> N :: 121.86(3.9) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.3 R 0.02 G 0.02 C Shift Assignments>> C :: 176.8050 CA :: 55.5090 CB :: 42.5470 CG :: 27.0470 CD1 :: 24.5510 CD2 :: 24.5510 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 :: 8.1130 HA :: 4.2680 HB2 :: 1.5770 HB3 :: 1.5770 HD11 :: 0.8790 HD12 :: 0.8790 HD13 :: 0.8790 HD21 :: 0.8790 HD22 :: 0.8790 HD23 :: 0.8790 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 :: 120.5280 Ave N Shift Values>> N :: 121.86(3.9) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.12 D 0.09 Y 0.08 F 0.07 E 0.02 L 0.02 M 0.02 HN Overlap>> 1.D59 1.D59 C Shift Assignments>> C :: 174.0150 CA :: 53.4060 CB :: 38.0120 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 :: 8.5740 HA :: 4.7200 HB2 :: 2.6950 HB3 :: 2.8470 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.3420 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 174.6890 CA :: 61.2610 CB :: 33.4460 CG1 :: 21.1620 CG2 :: 21.1620 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 :: 7.8760 HA :: 4.1670 HB :: 1.8890 HG11 :: 0.7830 HG12 :: 0.7830 HG13 :: 0.7830 HG21 :: 0.7830 HG22 :: 0.7830 HG23 :: 0.7830 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 :: 120.6220 Ave N Shift Values>> N :: 121.14(4.54) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.14 R 0.13 C 0.12 Q 0.12 K 0.09 M 0.05 I 0.01 C Shift Assignments>> C :: 178.2050 CA :: 57.2390 CB :: 30.0030 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 :: 8.6720 HA :: 4.3200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.2920 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: Indeterminable PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 172.2290 CA :: 46.9060 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.0940 HA3 :: 4.2460 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 175.6310 CA :: 60.7600 CB :: 35.4420 CG1 :: 21.9060 CG2 :: 22.1100 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 :: 7.6660 HA :: 5.6430 HB :: 1.8680 HG11 :: 0.6860 HG12 :: 0.6860 HG13 :: 0.6860 HG21 :: 0.9690 HG22 :: 0.9690 HG23 :: 0.9690 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.6800 Ave N Shift Values>> N :: 121.14(4.54) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.4 R 0.14 C Shift Assignments>> C :: 174.8650 CA :: 55.2790 CB :: 36.0230 CG :: 24.9850 CD :: 29.4800 CE :: 41.9610 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.5220 HA :: 4.9220 HB2 :: 1.9410 HB3 :: 1.9410 HG2 :: 1.3900 HG3 :: 1.3900 HD2 :: 1.5170 HD3 :: 1.5170 HE2 :: 2.7100 HE3 :: 2.7100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.5280 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 G 0.22 R 0.04 K 0.04 C Shift Assignments>> C :: 175.0590 CA :: 55.1980 CB :: 36.2120 CG :: 26.4360 CE :: 43.5470 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.2260 HA :: 5.0100 HB2 :: 1.4340 HB3 :: 1.7530 HG2 :: 1.5000 HG3 :: 1.5000 HE2 :: 3.1900 HE3 :: 3.1900 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.0620 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.5350 CA :: 61.7420 CB :: 71.4010 CG2 :: 20.9930 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 :: 9.1240 HA :: 4.3770 HB :: 3.8350 HG21 :: 1.0400 HG22 :: 1.0400 HG23 :: 1.0400 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.3680 Ave N Shift Values>> N :: 115.42(4.75) 1.I24 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 :: 175.1780 CA :: 63.6700 CB :: 37.6850 CG1 :: 29.7100 CG2 :: 16.9180 CD1 :: 12.6940 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.1160 HA :: 3.8060 HB :: 1.7000 HG12 :: 1.7060 HG13 :: 1.7060 HG21 :: 0.7460 HG22 :: 0.7460 HG23 :: 0.7460 HD11 :: 0.8320 HD12 :: 0.8320 HD13 :: 0.8320 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.8570 Ave N Shift Values>> N :: 121.46(4.28) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.36 A 0.1 G 0.01 C Shift Assignments>> C :: 177.2120 CA :: 55.8510 CB :: 42.0230 CD1 :: 26.1250 CD2 :: 21.7650 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 :: 8.9250 HA :: 4.3380 HB2 :: 1.4240 HB3 :: 1.4240 HD11 :: 0.8860 HD12 :: 0.8860 HD13 :: 0.8860 HD21 :: 0.6950 HD22 :: 0.6950 HD23 :: 0.6950 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.5280 Ave N Shift Values>> N :: 121.86(3.9) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.18 Q 0.16 C 0.16 R 0.08 H 0.08 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 174.3650 CA :: 55.8890 CB :: 33.0320 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 :: 8.1460 HA :: 4.6370 HB2 :: 2.9770 HB3 :: 2.9770 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 :: 118.5620 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G27 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 :: 174.4670 CA :: 45.5220 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6470 HA2 :: 3.6830 HA3 :: 3.9870 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.4700 Ave N Shift Values>> N :: 109.67(3.87) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.26 R 0.17 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 173.1890 CA :: 44.3070 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.4550 HA2 :: 3.6310 HA3 :: 4.2750 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.7030 Ave N Shift Values>> N :: 109.67(3.87) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.13 C Shift Assignments>> C :: 174.5450 CA :: 60.8810 CB :: 70.9730 CG2 :: 21.4220 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 :: 8.5210 HA :: 4.6000 HB :: 4.1430 HG21 :: 1.1800 HG22 :: 1.1800 HG23 :: 1.1800 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.7350 Ave N Shift Values>> N :: 115.42(4.75) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.7900 CA :: 44.8480 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5790 HA2 :: 3.8830 HA3 :: 4.0700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.5620 Ave N Shift Values>> N :: 109.67(3.87) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 M 0.18 Q 0.06 K 0.04 HN Overlap>> 1.D98 1.D98 C Shift Assignments>> C :: 176.6490 CA :: 55.3830 CB :: 30.7270 CG :: 36.1060 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 :: 8.3260 HA :: 4.3400 HB2 :: 1.7560 HB3 :: 2.0480 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 :: 119.1060 Ave N Shift Values>> N :: 120.67(3.48) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.2 C Shift Assignments>> C :: 175.2760 CA :: 54.5920 CB :: 41.8840 CD1 :: 25.0200 CD2 :: 25.0200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7380 HA :: 4.3100 HB2 :: 1.4580 HD11 :: 0.8900 HD12 :: 0.8900 HD13 :: 0.8900 HD21 :: 0.8900 HD22 :: 0.8900 HD23 :: 0.8900 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.4160 Ave N Shift Values>> N :: 121.86(3.9) 1.P33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.69 C 0.11 D 0.07 Y 0.03 F 0.03 M 0.01 L 0.01 E 0.01 C Shift Assignments>> C :: 174.2610 CA :: 51.6210 CB :: 37.8830 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.6580 HB2 :: 2.5220 HB3 :: 2.6850 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.17 I 0.17 L 0.02 D 0.02 E 0.01 C Shift Assignments>> C :: 174.2610 CA :: 58.7310 CB :: 38.9040 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 :: 7.8760 HA :: 4.1640 HB2 :: 2.6730 HB3 :: 2.8570 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.0360 Ave N Shift Values>> N :: 120.45(4.18) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.61 I 0.33 G 0.04 C Shift Assignments>> CA :: 59.4100 CB :: 42.4960 CG1 :: 25.3010 CG2 :: 17.8870 CD1 :: 14.0090 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HA :: 4.6200 HB :: 1.8870 HG12 :: 1.1970 HG13 :: 1.1970 HG21 :: 0.7990 HG22 :: 0.7990 HG23 :: 0.7990 HD11 :: 0.7930 HD12 :: 0.7930 HD13 :: 0.7930 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) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.6640 CA :: 65.7850 CB :: 69.3980 CG2 :: 22.6720 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>> HA :: 3.5460 HB :: 3.9210 HG21 :: 1.2100 HG22 :: 1.2100 HG23 :: 1.2100 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.8330 CA :: 44.9740 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0760 HA2 :: 3.5150 HA3 :: 4.3970 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.1790 Ave N Shift Values>> N :: 109.67(3.87) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.9230 CA :: 62.0940 CB :: 63.4830 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6070 HA :: 4.3910 HB2 :: 3.8240 HB3 :: 3.8230 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 :: 118.7040 Ave N Shift Values>> N :: 116.28(3.52) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.34 K 0.14 G 0.08 C Shift Assignments>> C :: 174.7820 CA :: 54.9740 CB :: 32.4110 CG :: 27.8500 CD :: 43.3850 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 :: 8.6450 HA :: 5.1340 HB2 :: 1.7470 HB3 :: 1.9030 HG2 :: 1.3400 HG3 :: 1.5400 HD2 :: 3.0840 HD3 :: 3.1740 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.6990 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.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 174.2210 CA :: 61.9820 CB :: 33.4380 CG1 :: 23.8420 CG2 :: 21.6660 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 :: 9.2900 HA :: 4.6680 HB :: 2.1100 HG11 :: 1.0000 HG12 :: 1.0000 HG13 :: 1.0000 HG21 :: 1.0200 HG22 :: 1.0200 HG23 :: 1.0200 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 :: 127.0130 Ave N Shift Values>> N :: 121.14(4.54) 1.I42 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 :: 176.0790 CA :: 60.7000 CB :: 39.5740 CG1 :: 27.4100 CG2 :: 17.9470 CD1 :: 13.4990 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 :: 8.7540 HA :: 5.2540 HB :: 1.6610 HG12 :: 1.6590 HG13 :: 1.6590 HG21 :: 0.6880 HG22 :: 0.6880 HG23 :: 0.6880 HD11 :: 0.5720 HD12 :: 0.5720 HD13 :: 0.5720 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.9140 Ave N Shift Values>> N :: 121.46(4.28) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.21 D 0.16 F 0.14 Y 0.1 C 0.06 R 0.04 N 0.01 I 0.01 C Shift Assignments>> C :: 172.2920 CA :: 56.2760 CB :: 41.5760 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 :: 8.9770 HA :: 5.5440 HB2 :: 2.9360 HB3 :: 3.2030 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.2760 Ave N Shift Values>> N :: 120.45(4.18) 1.H44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 E 0.21 M 0.19 K 0.08 Q 0.07 N 0.07 Y 0.04 F 0.02 H 0.01 C Shift Assignments>> C :: 176.0700 CA :: 54.7640 CB :: 35.6530 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 :: 8.8510 HA :: 5.4600 HB2 :: 2.8100 HB3 :: 3.0690 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 :: 118.3320 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.29 R 0.17 C 0.06 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 171.6770 CA :: 56.2520 CB :: 44.5440 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.8680 HA :: 6.1840 HB2 :: 3.2500 HB3 :: 3.0860 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.3360 Ave N Shift Values>> N :: 120.45(4.18) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.43 R 0.05 K 0.01 C Shift Assignments>> C :: 174.2870 CA :: 54.7930 CB :: 34.7700 CD :: 44.3500 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 :: 8.8760 HA :: 5.0200 HB2 :: 1.8410 HB3 :: 1.8410 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.5440 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.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 T 0.4 C Shift Assignments>> C :: 174.4310 CA :: 61.0720 CB :: 70.6360 CG2 :: 23.9050 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 :: 9.1750 HA :: 4.9990 HB :: 4.0090 HG21 :: 0.5000 HG22 :: 0.5000 HG23 :: 0.5000 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 :: 123.8310 Ave N Shift Values>> N :: 115.42(4.75) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.4 C 0.3 M 0.28 C Shift Assignments>> C :: 174.6990 CA :: 53.8490 CB :: 36.9710 CG :: 32.1740 CE :: 17.0560 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.6830 HA :: 5.2990 HB2 :: 1.6350 HB3 :: 1.9480 HG2 :: 2.0540 HG3 :: 2.6250 HE1 :: 1.9260 HE2 :: 1.9260 HE3 :: 1.9260 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 :: 127.3450 Ave N Shift Values>> N :: 120.09(3.57) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.31 R 0.25 HN Overlap>> 1.V139 1.V139 C Shift Assignments>> C :: 176.0670 CA :: 56.5710 CB :: 34.3350 CG :: 26.6680 CD :: 29.4050 CE :: 41.7180 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 :: 8.4400 HA :: 4.2860 HB2 :: 1.7610 HB3 :: 1.7610 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.5960 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 C 0.19 L 0.15 K 0.15 I 0.08 Q 0.07 W 0.05 H 0.04 E 0.02 C Shift Assignments>> C :: 175.3700 CA :: 57.9580 CB :: 26.1970 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8360 HA :: 4.6000 HB2 :: 2.6720 HB3 :: 3.1400 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.4450 Ave N Shift Values>> N :: 120.17(4.64) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.34 L 0.12 C 0.06 F 0.04 Y 0.03 K 0.01 HN Overlap>> 1.L13 1.L13 C Shift Assignments>> C :: 177.1350 CA :: 51.8420 CB :: 40.4530 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 :: 7.9400 HA :: 4.6640 HB2 :: 2.7380 HB3 :: 3.1030 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 :: 118.9270 Ave N Shift Values>> N :: 120.65(3.86) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.28 I 0.26 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.4300 CA :: 60.1100 CB :: 29.3460 CG :: 36.5830 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 :: 8.7490 HA :: 3.8920 HB2 :: 1.9870 HB3 :: 1.9870 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 :: 121.3840 Ave N Shift Values>> N :: 120.67(3.48) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.38 I 0.07 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 175.2300 CA :: 56.6180 CB :: 29.5010 CG :: 36.9410 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 :: 8.1060 HA :: 4.0520 HB2 :: 1.7610 HB3 :: 2.0260 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 :: 114.6100 Ave N Shift Values>> N :: 120.67(3.48) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.29 G 0.19 R 0.11 K 0.01 HN Overlap>> 1.A116 1.A116 C Shift Assignments>> C :: 175.4990 CA :: 55.9700 CB :: 27.5010 CD :: 44.1590 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 :: 7.8130 HA :: 4.1020 HB2 :: 1.6270 HB3 :: 1.9210 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.3630 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.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.2300 CA :: 65.1230 CB :: 69.0460 CG2 :: 21.3310 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 :: 9.4640 HA :: 3.5790 HB :: 3.6870 HG21 :: 1.0800 HG22 :: 1.0800 HG23 :: 1.0800 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 :: 118.3260 Ave N Shift Values>> N :: 115.42(4.75) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 176.1490 CA :: 63.2360 CB :: 32.5340 CG1 :: 23.1040 CG2 :: 21.5840 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5330 HA :: 4.0810 HB :: 2.0130 HG11 :: 1.0540 HG12 :: 1.0540 HG13 :: 1.0540 HG21 :: 0.8560 HG22 :: 0.8560 HG23 :: 0.8560 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 :: 127.3420 Ave N Shift Values>> N :: 121.14(4.54) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 174.8280 CA :: 61.4890 CB :: 38.4710 CG1 :: 26.6950 CG2 :: 17.5180 CD1 :: 12.2620 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.1610 HA :: 4.0980 HB :: 1.5250 HG12 :: 1.5160 HG13 :: 1.5160 HG21 :: 0.9150 HG22 :: 0.9150 HG23 :: 0.9150 HD11 :: 0.6290 HD12 :: 0.6290 HD13 :: 0.6290 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.6050 Ave N Shift Values>> N :: 121.46(4.28) 1.D58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.13 C 0.05 C Shift Assignments>> C :: 174.3470 CA :: 54.2070 CB :: 46.4070(S) 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 :: 7.2360 HA :: 5.0200 HB2 :: 2.4950 HB3 :: 2.4950 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.4160 Ave N Shift Values>> N :: 120.65(3.86) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 D 0.2 K 0.06 G 0.04 C 0.04 F 0.04 Y 0.02 N 0.02 HN Overlap>> 1.N16 1.N16 C Shift Assignments>> C :: 177.2970 CA :: 53.6210 CB :: 43.0110 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 :: 8.5360 HA :: 4.9750 HB2 :: 2.4760 HB3 :: 2.7490 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 :: 118.3490 Ave N Shift Values>> N :: 120.65(3.86) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E126 1.E126 C Shift Assignments>> C :: 176.6930 CA :: 62.6680 CB :: 61.4280 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0690 HA :: 3.9700 HB2 :: 3.5760 HB3 :: 4.6420 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.9800 Ave N Shift Values>> N :: 116.28(3.52) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.3 K 0.17 I 0.04 G 0.04 L 0.02 C Shift Assignments>> C :: 179.2580 CA :: 59.2690 CB :: 29.2610 CD :: 43.0590 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 :: 8.3920 HA :: 3.6040 HB2 :: 1.5290 HB3 :: 1.5290 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 :: 122.6970 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.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.25 R 0.07 E 0.06 M 0.01 I 0.01 C Shift Assignments>> C :: 177.6110 CA :: 57.9560 CB :: 28.3340 CG :: 33.9290 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 :: 7.4780 HA :: 3.9970 HB2 :: 2.1030 HB3 :: 2.2380 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.7920 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 177.4350 CA :: 64.2610 CB :: 31.8520 CG1 :: 21.8200 CG2 :: 21.8200 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 :: 7.4450 HA :: 3.9350 HB :: 2.2880 HG11 :: 0.9830 HG12 :: 0.9830 HG13 :: 0.9830 HG21 :: 1.0470 HG22 :: 1.0470 HG23 :: 1.0470 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.7910 Ave N Shift Values>> N :: 121.14(4.54) 1.G64 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 :: 173.6150 CA :: 45.5400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7630 HA2 :: 3.6330 HA3 :: 4.3260 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.4780 Ave N Shift Values>> N :: 109.67(3.87) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 C 0.17 R 0.15 M 0.13 W 0.1 Q 0.1 E 0.05 K 0.05 P 0.03 C Shift Assignments>> C :: 171.5180 CA :: 52.6180 CB :: 30.6340 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 :: 7.5110 HA :: 4.8500 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.3270 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 175.8550 CA :: 62.0780 CB :: 31.7310 CG :: 26.4960 CD :: 49.9040 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 :: 3.9110 HB2 :: 0.8440(S) HB3 :: 1.4190 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.M67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.21 C 0.18 C Shift Assignments>> C :: 173.8030 CA :: 52.9690 CB :: 33.3570 CG :: 33.8370 CE :: 18.1760 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 :: 8.1950 HA :: 4.4520 HB2 :: 0.9980 HB3 :: 1.0870 HG2 :: 2.1950 HG3 :: 2.3703 HE1 :: 1.9860 HE2 :: 1.9860 HE3 :: 1.9860 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 :: 119.6890 Ave N Shift Values>> N :: 120.09(3.57) 1.H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.21 C 0.17 K 0.17 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 174.8670 CA :: 54.7930 CB :: 33.5760 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.6790 HA :: 5.7920 HB2 :: 2.8870 HB3 :: 2.8140 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 :: 117.3340 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 G 0.2 I 0.06 A 0.05 C Shift Assignments>> C :: 173.8710 CA :: 58.5720 CB :: 42.9010 CG2 :: 20.5360 CD1 :: 15.0190 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 :: 8.8320 HA :: 4.6780 HB :: 2.1660 HG12 :: 2.1900 HG13 :: 2.1900 HG21 :: 0.9000 HG22 :: 0.9000 HG23 :: 0.9000 HD11 :: 0.8210 HD12 :: 0.8210 HD13 :: 0.8210 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 :: 114.4600 Ave N Shift Values>> N :: 121.46(4.28) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.37 A 0.01 C Shift Assignments>> C :: 177.0550 CA :: 58.5150 CB :: 38.8790 CG1 :: 24.6250 CG2 :: 17.1310 CD1 :: 11.9420 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 :: 8.5420 HA :: 5.0310 HB :: 1.7740 HG12 :: 1.4920 HG13 :: 1.7430 HG21 :: 0.7560 HG22 :: 0.7560 HG23 :: 0.7560 HD11 :: 0.8240 HD12 :: 0.8240 HD13 :: 0.8240 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.0110 Ave N Shift Values>> N :: 121.46(4.28) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 I 0.27 C Shift Assignments>> C :: 178.0530 CA :: 60.1040 CB :: 35.9810 CG1 :: 27.2430 CG2 :: 16.7400 CD1 :: 10.1390 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 :: 8.6290 HA :: 4.1140 HB :: 2.1550 HG12 :: 1.3130 HG13 :: 1.3170 HG21 :: 0.5730 HG22 :: 0.5730 HG23 :: 0.5730 HD11 :: 0.5490 HD12 :: 0.5490 HD13 :: 0.5490 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.6620 Ave N Shift Values>> N :: 121.46(4.28) 1.G72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K76 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.87 K 0.12 C Shift Assignments>> CD1 :: 23.7543 CD2 :: 26.4700 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>> HD11 :: 0.5695 HD12 :: 0.5695 HD13 :: 0.5695 HD21 :: 0.5411 HD22 :: 0.5411 HD23 :: 0.5411 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.E78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V79 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.58 L 0.41 C Shift Assignments>> CD1 :: 21.6741 CD2 :: 23.9611 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>> HD11 :: 0.1666 HD12 :: 0.1666 HD13 :: 0.1666 HD21 :: 0.0730 HD22 :: 0.0730 HD23 :: 0.0730 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.56 L 0.38 G 0.03 C Shift Assignments>> C :: 177.1620 CA :: 58.3060 CB :: 42.5470 CD1 :: 22.688 CD2 :: 25.787 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>> HA :: 3.5570 HB2 :: 0.91 HB3 :: 1.356 HD11 :: 0.011 HD12 :: 0.011 HD13 :: 0.011 HD21 :: 0.121 HD22 :: 0.121 HD23 :: 0.121 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.T85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.9 C 0.08 C Shift Assignments>> C :: 173.0700 CA :: 62.4000 CB :: 68.3910 CG2 :: 20.4120 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 :: 7.3680 HA :: 2.8300(S) HB :: 3.7590 HG21 :: 0.4050 HG22 :: 0.4050 HG23 :: 0.4050 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 :: 101.8760 Ave N Shift Values>> N :: 115.42(4.75) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.0960 CA :: 58.4120 CB :: 65.5630 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.0830 HA :: 4.5320 HB2 :: 3.9120 HB3 :: 4.2430 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 :: 113.9170 Ave N Shift Values>> N :: 116.28(3.52) 1.M87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.39 A 0.08 C Shift Assignments>> C :: 173.4590 CA :: 56.8960 CB :: 35.5440 CG :: 32.7820 CE :: 18.1020 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 :: 7.4540 HA :: 4.5080 HB2 :: 2.1270 HB3 :: 2.2910 HG2 :: 2.3800 HG3 :: 2.3800 HE1 :: 2.1860 HE2 :: 2.1860 HE3 :: 2.1860 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.6800 Ave N Shift Values>> N :: 120.09(3.57) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.23 R 0.13 K 0.1 C Shift Assignments>> C :: 176.8670 CA :: 54.9240 CB :: 32.5990 CG :: 29.6730 CD :: 43.8820 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 :: 7.4640 HA :: 4.3100 HB2 :: 1.5990 HB3 :: 1.9630 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 :: 115.8180 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.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 176.2380 CA :: 66.7480 CB :: 30.6220 CG1 :: 22.6700 CG2 :: 20.9230 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 :: 8.3930 HA :: 3.1830 HB :: 1.7160 HG11 :: 0.8500 HG12 :: 0.8500 HG13 :: 0.8500 HG21 :: 0.3710 HG22 :: 0.3710 HG23 :: 0.3710 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 :: 120.8610 Ave N Shift Values>> N :: 121.14(4.54) 1.H90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 R 0.13 I 0.12 W 0.12 Q 0.11 K 0.1 E 0.08 H 0.07 L 0.04 C Shift Assignments>> C :: 174.2350 CA :: 58.6980 CB :: 27.9280 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 :: 8.5780 HA :: 4.4210 HB2 :: 3.4880 HB3 :: 3.9210 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 :: 117.1200 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.06 E 0.05 C Shift Assignments>> C :: 174.9800 CA :: 56.6210 CB :: 33.9810 CG :: 37.8990 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 :: 8.3320 HA :: 4.4500 HB2 :: 2.0880 HB3 :: 2.4860 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 :: 123.0820 Ave N Shift Values>> N :: 120.67(3.48) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.8480 CA :: 60.8250 CB :: 33.1210 CG1 :: 21.4700 CG2 :: 22.1000 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 :: 8.8300 HA :: 5.2720 HB :: 1.9870 HG11 :: 0.8480 HG12 :: 0.8480 HG13 :: 0.8480 HG21 :: 0.9600 HG22 :: 0.9600 HG23 :: 0.9600 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.4740 Ave N Shift Values>> N :: 121.14(4.54) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.2 P 0.11 A 0.08 K 0.08 C Shift Assignments>> C :: 173.0550 CA :: 50.5510 CB :: 23.9750 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.3650 HA :: 5.0090 HB1 :: 1.1650 HB2 :: 1.1650 HB3 :: 1.1650 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.0590 Ave N Shift Values>> N :: 123.23(3.54) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 M 0.11 E 0.05 C Shift Assignments>> C :: 175.0970 CA :: 54.2860 CB :: 33.2770 CG :: 38.2130 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0230 HA :: 5.3320 HB2 :: 1.9490 HB3 :: 1.9490 HG2 :: 2.0700 HG3 :: 2.0700 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 :: 121.3560 Ave N Shift Values>> N :: 120.67(3.48) 1.F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.21 D 0.18 F 0.12 Y 0.09 C 0.06 R 0.05 N 0.02 C Shift Assignments>> C :: 174.8350 CA :: 55.8890 CB :: 41.6300 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 :: 10.0840 HA :: 5.5950 HB2 :: 2.6930 HB3 :: 3.1240 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.0580 Ave N Shift Values>> N :: 120.45(4.18) 1.W96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.15 R 0.13 H 0.13 Q 0.1 K 0.06 M 0.05 V 0.02 I 0.01 C Shift Assignments>> C :: 176.1270 CA :: 58.1340 CB :: 30.4460 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.3720 HA :: 4.9450 HB2 :: 3.2400 HB3 :: 3.3400 HE1 :: 9.9330 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.3230 NE1 :: 130.5990 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 R 0.14 M 0.13 K 0.13 H 0.12 W 0.11 E 0.1 Q 0.06 V 0.02 C Shift Assignments>> C :: 171.6960 CA :: 57.2190 CB :: 31.6710 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5190 HA :: 5.2710 HB2 :: 2.6000 HB3 :: 2.6910 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.2490 Ave N Shift Values>> N :: 120.17(4.64) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 G 0.19 D 0.14 C 0.04 F 0.02 K 0.01 Y 0.01 HN Overlap>> 1.Y125 1.Y125 1.E31 1.E31 C Shift Assignments>> C :: 176.2080 CA :: 53.2030 CB :: 43.7240 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 :: 8.4320 HA :: 4.0130 HB2 :: 2.5600 HB3 :: 2.8450 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 :: 119.0850 Ave N Shift Values>> N :: 120.65(3.86) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.8260 CA :: 64.6240 CB :: 68.4940 CG2 :: 22.6560 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 :: 8.5980 HA :: 3.8590 HB :: 3.8600 HG21 :: 0.9900 HG22 :: 0.9900 HG23 :: 0.9900 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 :: 115.5390 Ave N Shift Values>> N :: 115.42(4.75) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 176.3090 CA :: 63.6400 CB :: 37.6120 CG2 :: 16.5700 CD1 :: 13.7240 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 :: 7.4630 HA :: 3.9440 HB :: 1.6440 HG12 :: 1.6270 HG13 :: 1.6270 HG21 :: 0.4960 HG22 :: 0.4960 HG23 :: 0.4960 HD11 :: 0.6720 HD12 :: 0.6720 HD13 :: 0.6720 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 :: 116.1600 Ave N Shift Values>> N :: 121.46(4.28) 1.H101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.22 M 0.2 C 0.18 K 0.18 R 0.05 H 0.04 E 0.03 W 0.03 V 0.02 C Shift Assignments>> C :: 177.8620 CA :: 56.5270 CB :: 33.8560 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.8830 HA :: 5.1000 HB2 :: 2.8530 HB3 :: 3.0930 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 :: 117.1370 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 177.3080 CA :: 63.3350 CB :: 69.3510 CG2 :: 23.3130 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 :: 7.7510 HA :: 4.1990 HB :: 4.6560 HG21 :: 1.2180 HG22 :: 1.2180 HG23 :: 1.2180 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 :: 105.8560 Ave N Shift Values>> N :: 115.42(4.75) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.09 L 0.04 P 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 175.2750 CA :: 47.5230 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4650 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.3760 Ave N Shift Values>> N :: 109.67(3.87) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 176.6240 CA :: 61.3750 CB :: 32.7480 CG1 :: 20.2680 CG2 :: 20.2670 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>> HA :: 4.3730 HB :: 2.3850 HG11 :: 1.0810 HG12 :: 1.0810 HG13 :: 1.0810 HG21 :: 1.0810 HG22 :: 1.0810 HG23 :: 1.0810 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) 1.Y105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.19 V 0.05 Y 0.03 F 0.02 C Shift Assignments>> C :: 172.5450 CA :: 64.7530 CB :: 37.2620 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 :: 8.2400 HA :: 4.3400 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.5050 Ave N Shift Values>> N :: 120.52(4.2) 1.P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.62 P 0.2 C 0.11 I 0.05 C Shift Assignments>> C :: 177.3130 CA :: 66.6580 CB :: 31.1570 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 :: 4.0450 HB2 :: 1.8880 HB3 :: 2.3710 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.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 178.4920 CA :: 64.3640 CB :: 37.8620 CG1 :: 28.9070 CG2 :: 17.5400 CD1 :: 13.0700 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 :: 7.0180 HA :: 3.6240 HB :: 1.9810 HG12 :: 1.1910 HG13 :: 1.5240 HG21 :: 0.8620 HG22 :: 0.8620 HG23 :: 0.8620 HD11 :: 0.8620 HD12 :: 0.8620 HD13 :: 0.8620 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 :: 115.4400 Ave N Shift Values>> N :: 121.46(4.28) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.48 A 0.01 C Shift Assignments>> C :: 178.6480 CA :: 57.3440 CB :: 41.1940 CG :: 26.3400 CD1 :: 22.2460 CD2 :: 25.0530 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 :: 7.1720 HA :: 3.7900 HB2 :: 1.3170 HB3 :: 1.0290 HG :: 1.4010 HD11 :: 0.3030 HD12 :: 0.3030 HD13 :: 0.3030 HD21 :: 0.3770 HD22 :: 0.3770 HD23 :: 0.3770 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 :: 120.9770 Ave N Shift Values>> N :: 121.86(3.9) 1.S109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 R 0.29 G 0.09 K 0.05 I 0.03 C Shift Assignments>> C :: 178.3040 CA :: 60.4430 CB :: 29.9680 CD :: 43.3820 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 3.5880 HB2 :: 1.8120 HB3 :: 1.8120 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.7060 CA :: 61.3780 CB :: 63.0760 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.2370 HA :: 3.9100 HB2 :: 4.1600 HB3 :: 4.1600 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 :: 112.6830 Ave N Shift Values>> N :: 116.28(3.52) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.2 Y 0.15 L 0.13 C 0.08 D 0.06 R 0.05 I 0.03 C Shift Assignments>> C :: 179.5970 CA :: 58.0990 CB :: 41.6640 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 :: 7.9910 HA :: 4.1150 HB2 :: 1.7800 HB3 :: 1.8600 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.6370 Ave N Shift Values>> N :: 121.86(3.9) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.38 G 0.09 K 0.04 C Shift Assignments>> C :: 179.1780 CA :: 59.7800 CB :: 30.6110 CG :: 27.7960 CD :: 43.5320 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 :: 8.8580 HA :: 3.9700 HB2 :: 1.6650 HB3 :: 1.8060 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 :: 119.5610 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.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.22 E 0.15 I 0.03 R 0.03 M 0.01 C Shift Assignments>> C :: 178.2130 CA :: 58.1860 CB :: 28.6490 CG :: 34.6080 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 :: 7.9800 HA :: 4.1240 HB2 :: 2.1700 HB3 :: 2.1690 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.3850 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.48 A 0.01 C Shift Assignments>> C :: 177.4730 CA :: 57.7610 CB :: 32.9550 CG :: 32.1090 CE :: 16.8570 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 :: 7.7760 HA :: 4.2180 HB2 :: 2.1990 HB3 :: 2.1990 HG2 :: 2.5670 HG3 :: 2.7400 HE1 :: 2.0430 HE2 :: 2.0430 HE3 :: 2.0430 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.1120 Ave N Shift Values>> N :: 120.09(3.57) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.15 C 0.02 HN Overlap>> 1.R54 1.R54 C Shift Assignments>> C :: 178.2590 CA :: 53.4790 CB :: 19.2810 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7900 HA :: 4.2750 HB1 :: 1.4880 HB2 :: 1.4880 HB3 :: 1.4880 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3890 Ave N Shift Values>> N :: 123.23(3.54) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.09 M 0.04 R 0.03 C Shift Assignments>> C :: 176.9760 CA :: 56.2600 CB :: 29.2150 CG :: 33.9910 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 :: 8.1220 HA :: 4.3360 HB2 :: 2.1460 HB3 :: 2.1460 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.0320 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.8510 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2630 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3510 Ave N Shift Values>> N :: 109.67(3.87) 1.G119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G122 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G123 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.5940 CA :: 44.8850 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0320 HA2 :: 3.8260 HA3 :: 3.8260 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.1730 Ave N Shift Values>> N :: 109.67(3.87) 1.Y125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.22 C 0.15 D 0.12 N 0.11 L 0.06 I 0.04 E 0.01 HN Overlap>> 1.D98 1.D98 C Shift Assignments>> C :: 175.8430 CA :: 56.2310 CB :: 38.9500 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 :: 8.4290 HA :: 4.8060 HB2 :: 2.8480 HB3 :: 3.1720 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 :: 119.0040 Ave N Shift Values>> N :: 120.52(4.2) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.27 E 0.27 K 0.03 HN Overlap>> 1.S60 1.S60 C Shift Assignments>> C :: 178.1120 CA :: 60.1180 CB :: 29.4260 CG :: 36.7710 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0730 HA :: 4.0880 HB2 :: 2.0670 HB3 :: 2.0670 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.0110 Ave N Shift Values>> N :: 120.67(3.48) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.19 C 0.18 N 0.13 D 0.07 E 0.06 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 179.0280 CA :: 56.1260 CB :: 38.2630 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 :: 8.8550 HA :: 4.3310 HB2 :: 2.5720 HB3 :: 2.8790 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 :: 117.7070 Ave N Shift Values>> N :: 120.65(3.86) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.25 A 0.11 C Shift Assignments>> C :: 178.8630 CA :: 56.8210 CB :: 41.4800 CG :: 27.0810 CD1 :: 20.8250 CD2 :: 24.2960 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 :: 7.8060 HA :: 4.1730 HB2 :: 1.3880 HB3 :: 2.1050 HD11 :: 0.8320 HD12 :: 0.8320 HD13 :: 0.8320 HD21 :: 0.9500 HD22 :: 0.9500 HD23 :: 0.9500 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 :: 122.3080 Ave N Shift Values>> N :: 121.86(3.9) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.08 I 0.07 N 0.02 K 0.01 C Shift Assignments>> C :: 179.2070 CA :: 57.4660 CB :: 39.8540 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2970 HA :: 4.3150 HB2 :: 2.6220 HB3 :: 2.8330 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 :: 120.9430 Ave N Shift Values>> N :: 120.65(3.86) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.14 K 0.08 Q 0.04 M 0.01 C Shift Assignments>> C :: 178.6950 CA :: 59.1840 CB :: 29.3840 CG :: 36.1220 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 :: 7.8640 HA :: 4.0120 HB2 :: 2.1220 HB3 :: 2.1220 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 :: 119.5530 Ave N Shift Values>> N :: 120.67(3.48) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 R 0.03 C Shift Assignments>> C :: 178.7160 CA :: 57.1260 CB :: 41.9370 CG :: 27.1970 CD1 :: 24.1200 CD2 :: 24.9900 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 :: 7.4770 HA :: 4.0940 HB2 :: 1.8270 HB3 :: 1.8260 HD11 :: 0.9130 HD12 :: 0.9130 HD13 :: 0.9130 HD21 :: 0.9500 HD22 :: 0.9500 HD23 :: 0.9500 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 :: 118.9190 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>> C 0.29 Q 0.26 K 0.25 E 0.09 R 0.04 M 0.02 I 0.02 C Shift Assignments>> C :: 177.3230 CA :: 58.2140 CB :: 28.8450 CG :: 34.0680 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 :: 8.0300 HA :: 4.0380 HB2 :: 2.1730 HB3 :: 2.1730 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 :: 116.6840 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.42 R 0.13 C Shift Assignments>> C :: 176.3110 CA :: 58.0490 CB :: 33.3070 CG :: 25.3310 CD :: 29.4680 CE :: 42.0800 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 :: 7.4470 HA :: 4.1140 HB2 :: 1.9190 HB3 :: 1.9190 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.0090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 C 0.16 R 0.15 M 0.12 W 0.11 Q 0.11 E 0.06 K 0.05 C Shift Assignments>> C :: 170.5970 CA :: 52.9790 CB :: 30.5810 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 :: 7.6720 HA :: 4.6600 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 :: 119.4500 Ave N Shift Values>> N :: 120.67(3.48) 1.P135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.9040 CA :: 63.7890 CB :: 31.8300 CG :: 27.8110 CD :: 49.8830 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 :: 4.5300 HB2 :: 1.7250 HB3 :: 2.2590 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.Q136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.16 M 0.15 C 0.15 W 0.1 Q 0.09 K 0.07 E 0.07 C Shift Assignments>> C :: 171.9320 CA :: 53.5340 CB :: 30.9650 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 :: 8.3120 HA :: 4.8470 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 :: 119.8160 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 174.1420 CA :: 62.5910 CB :: 33.0370 CG :: 27.7420 CD :: 51.0430 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 :: 4.4650 HB2 :: 1.7680 HB3 :: 2.0120 HG2 :: 2.1870 HG3 :: 2.1870 HD2 :: 3.6180 HD3 :: 3.7510 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.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.22 A 0.2 L 0.05 C Shift Assignments>> C :: 173.6430 CA :: 53.3970 CB :: 47.6490 CD1 :: 23.1470 CD2 :: 26.1330 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 :: 7.8250 HA :: 4.6780 HB2 :: 0.5660 HB3 :: 1.0260 HD11 :: 0.6670 HD12 :: 0.6670 HD13 :: 0.6670 HD21 :: 0.4330 HD22 :: 0.4330 HD23 :: 0.4330 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 :: 117.3570 Ave N Shift Values>> N :: 121.86(3.9) 1.V139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 HN Overlap>> 1.K49 1.K49 C Shift Assignments>> C :: 173.7260 CA :: 59.6240 CB :: 34.5930 CG1 :: 22.0100 CG2 :: 23.1080 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 :: 8.3720 HA :: 4.9800 HB :: 1.6900 HG11 :: 0.8300 HG12 :: 0.8300 HG13 :: 0.8300 HG21 :: 0.9200 HG22 :: 0.9200 HG23 :: 0.9200 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 :: 117.5990 Ave N Shift Values>> N :: 121.14(4.54) 1.F140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.21 D 0.15 K 0.13 F 0.07 C 0.04 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 176.5610 CA :: 55.2280 CB :: 42.7290 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.1250 HA :: 5.8550 HB2 :: 2.9510 HB3 :: 2.9510 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.2620 Ave N Shift Values>> N :: 120.45(4.18) 1.V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 176.4230 CA :: 62.0060 CB :: 33.2700 CG1 :: 21.6980 CG2 :: 22.1000 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 :: 9.5340 HA :: 5.2950 HB :: 1.9500 HG11 :: 0.8480 HG12 :: 0.8480 HG13 :: 0.8480 HG21 :: 0.9650 HG22 :: 0.9650 HG23 :: 0.9650 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.3660 Ave N Shift Values>> N :: 121.14(4.54) 1.I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.32 G 0.01 C Shift Assignments>> C :: 173.4150 CA :: 60.0180 CB :: 41.8070 CG2 :: 18.1590 CD1 :: 12.8200 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.4550 HA :: 5.2640 HB :: 1.9160 HG21 :: 0.9320 HG22 :: 0.9320 HG23 :: 0.9320 HD11 :: 0.4950 HD12 :: 0.4950 HD13 :: 0.4950 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.3490 Ave N Shift Values>> N :: 121.46(4.28) 1.E143 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 M 0.36 E 0.09 Q 0.02 C Shift Assignments>> C :: 175.4810 CA :: 53.5730 CB :: 33.4370 CG :: 35.7430 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 :: 8.9680 HA :: 5.6420(S) HB2 :: 1.9800 HB3 :: 1.9090 HG2 :: 2.0800 HG3 :: 2.0800 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 :: 127.3320 Ave N Shift Values>> N :: 120.67(3.48) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.38 R 0.06 K 0.01 C Shift Assignments>> C :: 176.0810 CA :: 55.4700 CB :: 40.9760 CG :: 28.7400 CD1 :: 26.0900 CD2 :: 25.4000 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 :: 8.1220 HA :: 4.5680 HB2 :: 1.4010 HB3 :: 2.4480 HG :: 1.3870 HD11 :: 0.8260 HD12 :: 0.8260 HD13 :: 0.8260 HD21 :: 1.0600 HD22 :: 1.0600 HD23 :: 1.0600 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 :: 128.1020 Ave N Shift Values>> N :: 121.86(3.9) 1.L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 C 0.34 R 0.25 G 0.03 A 0.01 C Shift Assignments>> C :: 177.2310 CA :: 56.6290 CB :: 42.9720 CG :: 28.2010 CD1 :: 25.7720 CD2 :: 22.8850 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 :: 9.0650 HA :: 4.5310 HB2 :: 1.5050 HB3 :: 1.5050 HG :: 1.7810 HD11 :: 0.7220 HD12 :: 0.7220 HD13 :: 0.7220 HD21 :: 0.8620 HD22 :: 0.8620 HD23 :: 0.8620 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 :: 128.1100 Ave N Shift Values>> N :: 121.86(3.9) 1.Q146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.34 Q 0.2 E 0.04 K 0.02 C Shift Assignments>> C :: 172.4670 CA :: 56.5670 CB :: 31.8970 CG :: 33.5630 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 :: 7.7310 HA :: 4.2650 HB2 :: 1.6130 HB3 :: 2.2410 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 :: 116.1340 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 174.7330 CA :: 61.3460 CB :: 34.5460 CG1 :: 23.1660 CG2 :: 20.4010 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 :: 8.4830 HA :: 4.9780 HB :: 1.7250 HG11 :: 0.8690 HG12 :: 0.8690 HG13 :: 0.8690 HG21 :: 0.5940 HG22 :: 0.5940 HG23 :: 0.5940 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.6700 Ave N Shift Values>> N :: 121.14(4.54) 1.D148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.19 D 0.17 G 0.16 C 0.04 F 0.02 K 0.02 N 0.01 Y 0.01 C Shift Assignments>> C :: 175.3300 CA :: 52.6060 CB :: 43.4450 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 :: 9.4940 HA :: 5.0770 HB2 :: 2.5610 HB3 :: 2.7320 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 :: 127.8930 Ave N Shift Values>> N :: 120.65(3.86) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 175.8730 CA :: 50.4830 CB :: 17.5120 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5240 HA :: 4.5400 HB1 :: 1.3640 HB2 :: 1.3640 HB3 :: 1.3640 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.4390 Ave N Shift Values>> N :: 123.23(3.54) 1.P150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.6050 CA :: 63.3520 CB :: 31.9260 CG :: 27.3670 CD :: 49.9610 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 :: 4.4120 HB2 :: 1.9760 HB3 :: 2.2050 HD2 :: 3.4910 HD3 :: 3.5660 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.S151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.4650 CA :: 58.1500 CB :: 64.3280 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3610 HA :: 4.4080 HB2 :: 3.8270 HB3 :: 3.8270 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.2340 Ave N Shift Values>> N :: 116.28(3.52) 1.D152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.21 D 0.14 R 0.13 F 0.1 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 180.8160 CA :: 56.0430 CB :: 42.2230 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9710 HA :: 4.3500 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 :: 127.7450 Ave N Shift Values>> N :: 120.65(3.86) 2.5U01 Overall Status: Residue type 5U0 not supported. ########################################################################### Overall Results: #Consistent: 148 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 127 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 25 Shift Relative Order (SRO) Results: #Consistent: 152 #Suspicious: 0 C Shift Results: #Consistent: 504 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 734 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 113 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D58 CB = 46.4070(S), Expected = 40.88, Std = 1.6200, ChiSquare = 6.4552e-04 1.P66 HB2 = 0.8440(S), Expected = 2.08, Std = 0.3500, ChiSquare = 4.1332e-04 1.T85 HA = 2.8300(S), Expected = 4.46, Std = 0.4800, ChiSquare = 6.8420e-04 1.E143 HA = 5.6420(S), Expected = 4.25, Std = 0.4100, ChiSquare = 6.8598e-04