Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.3150 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) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.41 R 0.06 Q 0.04 V 0.01 HN Overlap>> 1.I34 1.I34 C Shift Assignments>> C :: 176.7250 CA :: 56.6990 CB :: 32.9250 CG :: 24.7660 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 :: 8.5490 HA :: 4.2770 HB2 :: 1.8110 HB3 :: 1.7650 HG2 :: 1.4680 HG3 :: 1.4290 HE2 :: 2.9870 HE3 :: 2.9870 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.1460 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.01 C Shift Assignments>> C :: 178.0720 CA :: 53.0180 CB :: 19.1150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4720 HA :: 4.2050 HB1 :: 1.3880 HB2 :: 1.3880 HB3 :: 1.3880 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.4240 Ave N Shift Values>> N :: 123.23(3.54) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.44 R 0.07 C Shift Assignments>> C :: 176.9520 CA :: 57.2970 CB :: 32.9300 CD :: 29.4570 CE :: 42.0750 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 :: 8.3420 HA :: 4.1560 HB2 :: 1.7810 HB3 :: 1.7810 HD2 :: 1.6800 HD3 :: 1.6820 HE2 :: 3.0500 HE3 :: 3.0500 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 :: 120.1770 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.14 C 0.1 Y 0.07 F 0.06 L 0.03 M 0.01 E 0.01 C Shift Assignments>> C :: 175.6810 CA :: 53.1330 CB :: 38.4910 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 :: 8.4410 HA :: 4.7270 HB2 :: 2.9640 HB3 :: 2.7620 HD21 :: 7.7230 HD22 :: 6.9900 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.2250 ND2 :: 112.5390 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 R 0.03 G 0.01 C Shift Assignments>> C :: 178.1020 CA :: 57.3300 CB :: 42.2820 CG :: 27.1280 CD1 :: 24.6560 CD2 :: 24.3740 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 :: 8.1890 HA :: 4.1530 HB2 :: 1.6240 HB3 :: 1.6080 HG :: 1.5280 HD11 :: 0.8530 HD12 :: 0.8530 HD13 :: 0.8530 HD21 :: 0.8410 HD22 :: 0.8410 HD23 :: 0.8410 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.2640 Ave N Shift Values>> N :: 121.86(3.9) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.43 R 0.06 C Shift Assignments>> C :: 177.7150 CA :: 60.1570 CB :: 31.8120 CG :: 25.0290 CD :: 29.4510 CE :: 42.0210 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 :: 8.3630 HA :: 3.7710 HB2 :: 1.7720 HB3 :: 1.7720 HG2 :: 1.3880 HG3 :: 1.3240 HD2 :: 1.6020 HD3 :: 1.6020 HE2 :: 2.9330 HE3 :: 2.8740 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.1620 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 175.9220 CA :: 46.7560 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9090 HA2 :: 3.8420 HA3 :: 3.8110 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.7510 Ave N Shift Values>> N :: 109.67(3.87) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 I 0.08 K 0.06 M 0.04 Q 0.04 C Shift Assignments>> C :: 179.2820 CA :: 58.3940 CB :: 29.9900 CG :: 36.2980 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 :: 7.9270 HA :: 4.1670 HB2 :: 2.0940 HB3 :: 2.0940 HG2 :: 2.3540 HG3 :: 2.2390 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 :: 121.1030 Ave N Shift Values>> N :: 120.67(3.48) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 C Shift Assignments>> C :: 179.2650 CA :: 57.5120 CB :: 41.2190 CG :: 26.5780 CD1 :: 23.3250 CD2 :: 23.3250 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 :: 8.3080 HA :: 4.0600 HB2 :: 1.8230 HB3 :: 1.3230 HG :: 1.9070 HD11 :: 0.8030 HD12 :: 0.8030 HD13 :: 0.8030 HD21 :: 0.8030 HD22 :: 0.8030 HD23 :: 0.8030 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 :: 118.8600 Ave N Shift Values>> N :: 121.86(3.9) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.08 HN Overlap>> 1.D36 1.D36 C Shift Assignments>> C :: 178.4760 CA :: 59.6930 CB :: 31.9630 CG :: 25.1080 CD :: 29.4050 CE :: 42.1060 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 :: 8.0030 HA :: 3.9010 HB2 :: 1.9120 HB3 :: 1.9120 HG2 :: 1.6000 HG3 :: 1.4960 HD2 :: 1.7340 HD3 :: 1.6710 HE2 :: 2.9700 HE3 :: 2.9710 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 :: 117.6370 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 Y 0.14 D 0.14 C 0.13 F 0.12 L 0.04 E 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 175.6960 CA :: 54.5900 CB :: 38.5160 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 :: 7.4820 HA :: 4.6450 HB2 :: 2.9200 HB3 :: 2.9190 HD21 :: 7.7220 HD22 :: 6.9900 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 :: 114.3230 ND2 :: 112.6490 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.38 M 0.15 I 0.01 Q 0.01 C Shift Assignments>> C :: 176.5430 CA :: 56.6440 CB :: 31.2520 CG :: 36.8890 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 :: 7.8100 HA :: 4.3200 HB2 :: 2.2190 HB3 :: 2.0270 HG2 :: 2.4150 HG3 :: 2.2100 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 :: 117.9310 Ave N Shift Values>> N :: 120.67(3.48) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 175.8620 CA :: 63.6300 CB :: 38.4180 CG1 :: 29.7320 CG2 :: 18.0690 CD1 :: 13.6770 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 :: 7.1850 HA :: 3.8390 HB :: 1.7860 HG12 :: 1.9300 HG13 :: 1.9300 HG21 :: 0.6520 HG22 :: 0.6520 HG23 :: 0.6520 HD11 :: 0.6330 HD12 :: 0.6330 HD13 :: 0.6330 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 :: 122.0790 Ave N Shift Values>> N :: 121.46(4.28) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.21 C Shift Assignments>> C :: 172.2530 CA :: 60.3770 CB :: 71.8950 CG2 :: 20.9530 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 :: 8.3730 HA :: 4.8620 HB :: 4.1440 HG1 :: 4.6430 HG21 :: 1.3000 HG22 :: 1.3000 HG23 :: 1.3000 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.4880 Ave N Shift Values>> N :: 115.42(4.75) 1.E16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.19 Q 0.02 K 0.01 C Shift Assignments>> C :: 175.5300 CA :: 55.4720 CB :: 31.1760 CG :: 36.6760 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 :: 8.6400 HA :: 4.9390 HB2 :: 1.9240 HB3 :: 1.4540 HG2 :: 1.5940 HG3 :: 1.4400(S) 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 :: 124.8240 Ave N Shift Values>> N :: 120.67(3.48) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.0260 CA :: 60.4160 CB :: 40.7950 CG1 :: 27.3410 CG2 :: 17.1770 CD1 :: 13.7130 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 :: 9.2350 HA :: 4.1690 HB :: 1.6110 HG12 :: 1.4310 HG13 :: 1.0080 HG21 :: 0.7420 HG22 :: 0.7420 HG23 :: 0.7420 HD11 :: 0.7080 HD12 :: 0.7080 HD13 :: 0.7080 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 :: 128.9980 Ave N Shift Values>> N :: 121.46(4.28) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.18 E 0.1 Y 0.08 M 0.06 F 0.06 D 0.03 K 0.01 C Shift Assignments>> C :: 175.2280 CA :: 53.7090 CB :: 37.1210 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.1580 HA :: 4.2870 HB2 :: 3.1250 HB3 :: 2.6340 HD21 :: 7.6660 HD22 :: 6.7920 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.8750 ND2 :: 112.4940 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G19 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 :: 174.1190 CA :: 45.5250 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6130 HA2 :: 4.0150 HA3 :: 3.5660 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.0130 Ave N Shift Values>> N :: 109.67(3.87) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.9890 CA :: 60.7840 CB :: 40.9330 CG1 :: 27.6620 CG2 :: 18.1970 CD1 :: 14.2930 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 :: 7.9400 HA :: 4.3510 HB :: 2.0550 HG12 :: 1.6220 HG13 :: 0.9340 HG21 :: 0.9770 HG22 :: 0.9770 HG23 :: 0.9770 HD11 :: 0.9210 HD12 :: 0.9210 HD13 :: 0.9210 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 :: 122.9320 Ave N Shift Values>> N :: 121.46(4.28) 1.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 C 0.48 C Shift Assignments>> C :: 172.7810 CA :: 58.3870 CB :: 29.1610 CD2 :: 121.2300 CE1 :: 137.7500 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 :: 8.9510 HA :: 4.9220 HB2 :: 2.6980 HB3 :: 2.4850 HD1 :: 7.0400 HD2 :: 7.0620 HE1 :: 8.4350 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 :: 126.0600 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 F 0.2 Y 0.15 C 0.07 C Shift Assignments>> C :: 174.3920 CA :: 56.3390 CB :: 44.8670 CD1 :: 132.2790 CD2 :: 132.2790 CE1 :: 130.7360 CE2 :: 130.7360 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 :: 9.2080 HA :: 5.9580 HB2 :: 2.9200 HB3 :: 2.7570 HD1 :: 6.9280 HD2 :: 6.9270 HE1 :: 6.8240 HE2 :: 6.8240 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 :: 126.5700 Ave N Shift Values>> N :: 120.45(4.18) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.32 C 0.25 C Shift Assignments>> C :: 171.2530 CA :: 55.2880 CB :: 45.8230 CG :: 27.1440 CD1 :: 23.9360 CD2 :: 23.9360 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 :: 7.3890 HA :: 3.7510 HB2 :: 1.3500 HB3 :: 1.2860 HG :: 0.7600 HD11 :: 0.7740 HD12 :: 0.7740 HD13 :: 0.7740 HD21 :: 0.7740 HD22 :: 0.7740 HD23 :: 0.7740 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 :: 128.2600 Ave N Shift Values>> N :: 121.86(3.9) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 L 0.07 C 0.07 G 0.01 C Shift Assignments>> C :: 176.1270 CA :: 49.6330 CB :: 21.6180 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8610 HA :: 5.5560 HB1 :: 1.1030 HB2 :: 1.1030 HB3 :: 1.1030 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.8110 Ave N Shift Values>> N :: 123.23(3.54) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 R 0.22 K 0.07 G 0.01 C Shift Assignments>> C :: 173.8950 CA :: 55.1880 CB :: 38.2770 CG :: 24.9970 CD :: 29.4140 CE :: 41.9870 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3650 HA :: 4.4850 HB2 :: 1.6840 HB3 :: 1.4900 HG2 :: 1.4830 HG3 :: 1.4470 HD2 :: 1.6730 HD3 :: 1.4900 HE2 :: 2.9670 HE3 :: 2.9670 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.8520 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.32 R 0.26 C Shift Assignments>> C :: 175.9210 CA :: 55.2100 CB :: 33.0380 CG :: 26.1700 CD :: 29.7500 CE :: 42.0170 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 :: 8.8360 HA :: 5.1460 HB2 :: 1.8820 HB3 :: 1.4660 HG2 :: 1.3920 HG3 :: 1.2160 HD2 :: 1.6500 HD3 :: 1.6300 HE2 :: 2.9700 HE3 :: 2.9200 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 :: 127.9600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.15 A 0.01 C Shift Assignments>> C :: 174.6340 CA :: 58.8360 CB :: 35.8520 CG1 :: 21.8080 CG2 :: 19.0860 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 :: 9.1120 HA :: 4.7070 HB :: 1.9010 HG11 :: 0.6990 HG12 :: 0.6990 HG13 :: 0.6990 HG21 :: 0.6460 HG22 :: 0.6460 HG23 :: 0.6460 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 :: 120.1950 Ave N Shift Values>> N :: 121.14(4.54) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.28 L 0.08 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 174.4860 CA :: 52.5560 CB :: 39.7660 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 :: 8.6750 HA :: 4.9570 HB2 :: 2.7460 HB3 :: 2.5220 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.2720 Ave N Shift Values>> N :: 120.65(3.86) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 G 0.28 L 0.27 A 0.02 C Shift Assignments>> C :: 174.3150 CA :: 53.3870 CB :: 47.2660 CG :: 27.0720 CD1 :: 24.8410 CD2 :: 24.4250 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 :: 6.9290 HA :: 4.5050 HB2 :: 1.3950 HB3 :: 1.2180 HG :: 1.5480 HD11 :: 0.6750 HD12 :: 0.6750 HD13 :: 0.6750 HD21 :: 0.7550 HD22 :: 0.7550 HD23 :: 0.7550 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 :: 120.7350 Ave N Shift Values>> N :: 121.86(3.9) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.22 N 0.16 K 0.07 C 0.05 F 0.04 Y 0.02 R 0.02 C Shift Assignments>> C :: 175.5180 CA :: 51.9710 CB :: 41.5930 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 :: 7.7220 HA :: 4.5430 HB2 :: 2.9570 HB3 :: 2.6900 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 :: 117.6490 Ave N Shift Values>> N :: 120.65(3.86) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.29 I 0.07 C 0.05 V 0.01 C Shift Assignments>> C :: 180.8120 CA :: 56.1050 CB :: 18.6520 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5870 HA :: 3.7740 HB1 :: 1.4420 HB2 :: 1.4420 HB3 :: 1.4420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7750 Ave N Shift Values>> N :: 123.23(3.54) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 175.9530 CA :: 47.0190 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6220 HA2 :: 3.8050 HA3 :: 3.8050 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.9410 Ave N Shift Values>> N :: 109.67(3.87) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 HN Overlap>> 1.V82 1.V82 C Shift Assignments>> C :: 177.1430 CA :: 47.0170 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1800 HA2 :: 3.8610 HA3 :: 3.6370 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.4450 Ave N Shift Values>> N :: 109.67(3.87) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 HN Overlap>> 1.K2 1.K2 C Shift Assignments>> C :: 177.2980 CA :: 65.7270 CB :: 38.6660 CG1 :: 30.8200 CG2 :: 18.9520 CD1 :: 13.6640 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 :: 8.4700 HA :: 3.3180 HB :: 1.7820 HG12 :: 1.6920 HG13 :: 0.3010 HG21 :: 0.9220 HG22 :: 0.9220 HG23 :: 0.9220 HD11 :: 0.5240 HD12 :: 0.5240 HD13 :: 0.5240 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 :: 123.1040 Ave N Shift Values>> N :: 121.46(4.28) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.38 R 0.03 C Shift Assignments>> C :: 177.9550 CA :: 61.0860 CB :: 31.5880 CG :: 24.4800 CD :: 29.6280 CE :: 41.9300 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 :: 8.0600 HA :: 3.7660 HB2 :: 1.9720 HB3 :: 1.9610 HG2 :: 1.0290 HG3 :: 1.0100 HD2 :: 1.5320 HD3 :: 1.5330 HE2 :: 2.6520 HE3 :: 2.5100 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 :: 123.0930 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.12 D 0.1 L 0.09 I 0.06 N 0.02 K 0.02 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> C :: 178.9080 CA :: 57.4360 CB :: 40.0430 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 :: 8.0840 HA :: 4.2920 HB2 :: 2.6500 HB3 :: 2.6480 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 :: 117.6940 Ave N Shift Values>> N :: 120.65(3.86) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.48 C Shift Assignments>> C :: 178.5400 CA :: 58.0110 CB :: 39.8920 CG :: 26.7120 CD1 :: 25.8650 CD2 :: 23.2870 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 :: 7.8830 HA :: 4.0540 HB2 :: 1.7820 HB3 :: 1.4550 HG :: 1.4310 HD11 :: 0.3390 HD12 :: 0.3390 HD13 :: 0.3390 HD21 :: 0.7270 HD22 :: 0.7270 HD23 :: 0.7270 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 :: 121.4460 Ave N Shift Values>> N :: 121.86(3.9) 1.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.53 I 0.36 C 0.09 C Shift Assignments>> C :: 176.0520 CA :: 64.1750 CB :: 26.6420 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4060 HA :: 3.7540 HB2 :: 3.3150 HB3 :: 2.2750 HG :: 1.8340 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 :: 116.3640 Ave N Shift Values>> N :: 120.17(4.64) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.36 C 0.22 C Shift Assignments>> C :: 178.9800 CA :: 61.4370 CB :: 38.1260 CD1 :: 131.8190 CD2 :: 131.8190 CE1 :: 130.9470 CE2 :: 130.9470 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 :: 7.8700 HA :: 3.7570 HB2 :: 3.0430 HB3 :: 2.9490 HD1 :: 7.4730 HD2 :: 7.4740 HE1 :: 6.9680 HE2 :: 6.9680 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.7200 Ave N Shift Values>> N :: 120.45(4.18) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.33 I 0.17 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 180.6980 CA :: 59.7940 CB :: 29.6120 CG :: 36.1970 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 :: 8.3780 HA :: 4.1280 HB2 :: 2.1520 HB3 :: 1.9720 HG2 :: 2.3040 HG3 :: 2.0940 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 :: 122.3670 Ave N Shift Values>> N :: 120.67(3.48) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.47 HN Overlap>> 1.A60 1.A60 C Shift Assignments>> C :: 179.6200 CA :: 58.1790 CB :: 41.7780 CG :: 26.1730 CD1 :: 22.9040 CD2 :: 22.9190 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 :: 8.5600 HA :: 4.0950 HB2 :: 1.8410 HB3 :: 1.1830 HG :: 0.8690 HD11 :: 0.8840 HD12 :: 0.8840 HD13 :: 0.8840 HD21 :: 0.8830 HD22 :: 0.8830 HD23 :: 0.8830 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 :: 121.4860 Ave N Shift Values>> N :: 121.86(3.9) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 174.9020 CA :: 47.0280 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3930 HA2 :: 3.8400 HA3 :: 3.5690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.8840 Ave N Shift Values>> N :: 109.67(3.87) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7050 CA :: 60.2530 CB :: 63.7660 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4350 HA :: 4.4820 HB2 :: 4.0710 HB3 :: 4.0700 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 :: 114.0200 Ave N Shift Values>> N :: 116.28(3.52) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.24 M 0.19 K 0.15 E 0.1 HN Overlap>> 1.A117 1.A117 C Shift Assignments>> C :: 174.5280 CA :: 55.7050 CB :: 30.4110 CG :: 34.1000 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 :: 7.6800 HA :: 4.2970 HB2 :: 1.9500 HB3 :: 1.8380 HG2 :: 2.2560 HG3 :: 2.1370 HE21 :: 7.1790 HE22 :: 6.8250 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 :: 118.7100 NE2 :: 110.7000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 Y 0.19 C 0.12 C Shift Assignments>> C :: 174.5430 CA :: 57.13 CB :: 44.7400 CD1 :: 133.5790 CD2 :: 133.5790 CE1 :: 117.3950 CE2 :: 117.3950 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 :: 7.4680 HA :: 4.7870 HB2 :: 2.9800 HB3 :: 2.6150 HD1 :: 6.9590 HD2 :: 6.9590 HE1 :: 6.3370 HE2 :: 6.3380 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 :: 116.3310 Ave N Shift Values>> N :: 120.52(4.2) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.27 K 0.12 R 0.07 N 0.07 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.4900 CA :: 53.1850 CB :: 42.0850 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 :: 8.5330 HA :: 4.9200 HB2 :: 2.8120 HB3 :: 2.6820 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 :: 117.5630 Ave N Shift Values>> N :: 120.65(3.86) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.11 C 0.1 Y 0.06 F 0.06 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 173.1420 CA :: 52.9610 CB :: 38.2590 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 :: 8.5770 HA :: 4.6510 HB2 :: 3.0870 HB3 :: 2.9140 HD21 :: 7.7240 HD22 :: 6.9900 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 :: 118.7370 ND2 :: 112.5350 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.27 C 0.25 A 0.03 C Shift Assignments>> C :: 173.2940 CA :: 54.6560 CB :: 46.0250 CG :: 26.8900 CD1 :: 23.2320 CD2 :: 23.2520 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 :: 9.0130 HA :: 5.0210 HB2 :: 2.0610 HB3 :: 1.2380 HG :: 0.6940 HD11 :: 0.4630 HD12 :: 0.4630 HD13 :: 0.4630 HD21 :: 0.4650 HD22 :: 0.4650 HD23 :: 0.4650 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.2620 Ave N Shift Values>> N :: 121.86(3.9) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 C 0.35 Y 0.19 G 0.02 C Shift Assignments>> C :: 173.3660 CA :: 54.7100 CB :: 42.0110 CD1 :: 130.6150 CD2 :: 130.6150 CE1 :: 128.3560 CE2 :: 128.3560 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 :: 9.0680 HA :: 5.5390 HB2 :: 3.2920 HB3 :: 2.7430 HD1 :: 7.0840 HD2 :: 7.0840 HE1 :: 6.8230 HE2 :: 6.8230 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.4570 Ave N Shift Values>> N :: 120.45(4.18) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.18 L 0.13 C Shift Assignments>> C :: 175.3740 CA :: 51.8230 CB :: 46.5020 CG :: 27.6810 CD1 :: 25.5760 CD2 :: 25.5550 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 :: 9.3120 HA :: 5.0050 HB2 :: 1.7440 HB3 :: 0.9720 HG :: 0.8580 HD11 :: 0.7300 HD12 :: 0.7300 HD13 :: 0.7300 HD21 :: 0.7370 HD22 :: 0.7370 HD23 :: 0.7370 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 :: 124.3480 Ave N Shift Values>> N :: 121.86(3.9) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.19 R 0.04 L 0.02 A 0.02 C Shift Assignments>> C :: 173.7280 CA :: 53.1600 CB :: 45.2740 CG :: 27.4260 CD1 :: 29.0970 CD2 :: 23.7190 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 :: 8.1410 HA :: 4.9800 HB2 :: 1.6100 HB3 :: 1.0670 HG :: 1.2330 HD11 :: 0.8120 HD12 :: 0.8120 HD13 :: 0.8120 HD21 :: 0.7500 HD22 :: 0.7500 HD23 :: 0.7500 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 :: 122.2960 Ave N Shift Values>> N :: 121.86(3.9) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.29 C 0.11 G 0.06 C Shift Assignments>> C :: 176.0290 CA :: 54.7940 CB :: 42.9370 CD1 :: 131.7930 CD2 :: 131.7930 CE1 :: 130.6020 CE2 :: 130.6020 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 :: 8.9070 HA :: 6.0150 HB2 :: 2.9720 HB3 :: 2.5440 HD1 :: 7.1550 HD2 :: 7.1550 HE1 :: 7.0500 HE2 :: 7.0500 HZ :: 6.8100 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.6650 Ave N Shift Values>> N :: 120.45(4.18) 1.G53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 L 0.29 G 0.09 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 170.8370 CA :: 43.5040 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7180 HA2 :: 5.7730(S) HA3 :: 3.2450 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6610 Ave N Shift Values>> N :: 109.67(3.87) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 K 0.17 C 0.16 A 0.03 P 0.01 R 0.01 C Shift Assignments>> C :: 174.7550 CA :: 52.0220 CB :: 24.2570 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9560 HA :: 4.8570 HB1 :: 1.5030 HB2 :: 1.5030 HB3 :: 1.5030 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.0810 Ave N Shift Values>> N :: 123.23(3.54) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 M 0.38 E 0.16 Q 0.02 C Shift Assignments>> C :: 175.1410 CA :: 54.0510 CB :: 32.6770 CG :: 35.9380 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 :: 9.1580 HA :: 5.2750 HB2 :: 1.8980 HB3 :: 1.7560 HG2 :: 2.0550 HG3 :: 2.0550 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 :: 121.2450 Ave N Shift Values>> N :: 120.67(3.48) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.24 K 0.11 N 0.1 F 0.05 C 0.04 Y 0.04 R 0.03 C Shift Assignments>> C :: 174.7440 CA :: 53.1330 CB :: 41.6500 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 :: 8.4940 HA :: 4.8640 HB2 :: 2.6890 HB3 :: 2.5770 HD21 :: 7.6050 HD22 :: 6.9530 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.6910 ND2 :: 112.6640 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 F 0.16 N 0.16 Y 0.15 L 0.13 C 0.09 I 0.01 K 0.01 C Shift Assignments>> C :: 175.5910 CA :: 55.2200 CB :: 39.9280 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 :: 9.5170 HA :: 4.3350 HB2 :: 2.9860 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 :: 127.3420 Ave N Shift Values>> N :: 120.65(3.86) 1.G58 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 :: 173.5610 CA :: 45.5270 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9100 HA2 :: 4.1850 HA3 :: 3.6810 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.5390 Ave N Shift Values>> N :: 109.67(3.87) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.33 R 0.11 C Shift Assignments>> C :: 175.1410 CA :: 54.6860 CB :: 34.1030 CG :: 25.3340 CD :: 28.8440 CE :: 41.9170 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 :: 7.9320 HA :: 4.6930 HB2 :: 2.0540 HB3 :: 1.9410 HG2 :: 1.4900 HG3 :: 1.4580 HD2 :: 1.7650 HD3 :: 1.7050 HE2 :: 3.0250 HE3 :: 3.0430 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.5300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.37 C 0.18 K 0.02 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 175.8870 CA :: 50.2480 CB :: 23.0020 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4890 HA :: 5.0770 HB1 :: 1.0580 HB2 :: 1.0580 HB3 :: 1.0580 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.5340 Ave N Shift Values>> N :: 123.23(3.54) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.28 L 0.28 C Shift Assignments>> C :: 175.7070 CA :: 54.4690 CB :: 46.2230 CG :: 27.1670 CD1 :: 26.1690 CD2 :: 24.3370 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 :: 9.0740 HA :: 5.2400 HB2 :: 1.6630 HB3 :: 1.5550 HG :: 1.5190 HD11 :: 0.8600 HD12 :: 0.8600 HD13 :: 0.8600 HD21 :: 0.9520 HD22 :: 0.9520 HD23 :: 0.9520 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 :: 124.3890 Ave N Shift Values>> N :: 121.86(3.9) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.26 C 0.25 A 0.05 C Shift Assignments>> C :: 175.9710 CA :: 53.4010 CB :: 46.6010 CG :: 26.5360 CD1 :: 23.5200 CD2 :: 23.4960 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 :: 8.9140 HA :: 5.4710 HB2 :: 1.4920 HB3 :: 1.2240 HG :: 0.6640 HD11 :: 0.8330 HD12 :: 0.8330 HD13 :: 0.8330 HD21 :: 0.8330 HD22 :: 0.8330 HD23 :: 0.8330 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 :: 122.5150 Ave N Shift Values>> N :: 121.86(3.9) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 171.0800 CA :: 57.7470 CB :: 65.9630 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1340 HA :: 5.1370 HB2 :: 3.8230 HB3 :: 3.6120 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 :: 117.4460 Ave N Shift Values>> N :: 116.28(3.52) 1.C64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.18 C 0.14 M 0.13 E 0.12 Q 0.12 K 0.09 HN Overlap>> 1.K68 1.K68 C Shift Assignments>> C :: 170.9470 CA :: 55.5050 CB :: 30.8810 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.7190 HA :: 5.3900 HB2 :: 2.3220 HB3 :: 2.1110 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 :: 125.1850 Ave N Shift Values>> N :: 120.17(4.64) 1.Y65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 Y 0.37 C 0.15 C Shift Assignments>> C :: 173.1020 CA :: 55.9050 CB :: 44.1270 CD1 :: 133.1700 CD2 :: 133.1700 CE1 :: 117.3900 CE2 :: 117.3900 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 :: 8.9990 HA :: 5.4570 HB2 :: 2.9050 HB3 :: 2.8680 HD1 :: 6.6830 HD2 :: 6.6740 HE1 :: 6.3380 HE2 :: 6.3370 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 :: 129.9970 Ave N Shift Values>> N :: 120.52(4.2) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.15 C Shift Assignments>> C :: 174.9490 CA :: 59.9280 CB :: 35.7950 CG1 :: 23.8250 CG2 :: 21.9900 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0840 HA :: 4.8030 HB :: 1.8710 HG11 :: 0.8660 HG12 :: 0.8660 HG13 :: 0.8660 HG21 :: 0.5670 HG22 :: 0.5670 HG23 :: 0.5670 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 :: 127.8890 Ave N Shift Values>> N :: 121.14(4.54) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7970 CA :: 60.6860 CB :: 64.5340 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9170 HA :: 4.2200 HB2 :: 4.5010 HB3 :: 3.7020 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.1900 Ave N Shift Values>> N :: 116.28(3.52) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.44 R 0.04 HN Overlap>> 1.C64 1.C64 C Shift Assignments>> C :: 178.5760 CA :: 60.6640 CB :: 32.3400 CG :: 25.1860 CD :: 29.3450 CE :: 41.7440 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 :: 8.7770 HA :: 3.9170 HB2 :: 1.7940 HB3 :: 1.7940 HG2 :: 1.3350 HG3 :: 1.3090 HD2 :: 1.5440 HD3 :: 1.5440 HE2 :: 2.6140 HE3 :: 2.6140 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.2160 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.36 E 0.2 K 0.02 C Shift Assignments>> C :: 179.0290 CA :: 60.1970 CB :: 28.6100 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 :: 9.7770 HA :: 4.1720 HB2 :: 2.4320 HB3 :: 2.0500 HG2 :: 2.5770 HG3 :: 2.4140 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 :: 118.6050 Ave N Shift Values>> N :: 120.67(3.48) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.35 R 0.13 G 0.01 C Shift Assignments>> C :: 179.5880 CA :: 56.9500 CB :: 42.3810 CG :: 27.6900 CD1 :: 25.5760 CD2 :: 24.4560 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 :: 7.4430 HA :: 4.2180 HB2 :: 2.0010 HB3 :: 1.6670 HG :: 1.6810 HD11 :: 0.9920 HD12 :: 0.9920 HD13 :: 0.9920 HD21 :: 0.9860 HD22 :: 0.9860 HD23 :: 0.9860 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 :: 119.2150 Ave N Shift Values>> N :: 121.86(3.9) 1.V71 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 :: 179.7700 CA :: 65.8030 CB :: 32.3400 CG1 :: 21.6470 CG2 :: 20.8690 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 :: 7.7990 HA :: 4.0190 HB :: 2.4140 HG11 :: 0.8940 HG12 :: 0.8940 HG13 :: 0.8940 HG21 :: 0.9460 HG22 :: 0.9460 HG23 :: 0.9460 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 :: 123.0610 Ave N Shift Values>> N :: 121.14(4.54) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.09 K 0.05 M 0.04 Q 0.04 C Shift Assignments>> C :: 178.6240 CA :: 59.0360 CB :: 30.0460 CG :: 36.2050 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 :: 7.7140 HA :: 4.0870 HB2 :: 2.0980 HB3 :: 2.0970 HG2 :: 2.4350 HG3 :: 2.3260 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.4450 Ave N Shift Values>> N :: 120.67(3.48) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.37 K 0.1 G 0.07 C Shift Assignments>> C :: 177.9890 CA :: 58.5030 CB :: 31.7040 CG :: 27.9530 CD :: 43.5120 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 :: 8.3210 HA :: 4.3060 HB2 :: 1.9820 HB3 :: 1.8850 HG2 :: 1.7190 HG3 :: 1.7180 HD2 :: 3.2290 HD3 :: 3.2290 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 :: 115.7020 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.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.4 R 0.06 C Shift Assignments>> C :: 176.9280 CA :: 54.6800 CB :: 34.4300 CG :: 25.6000 CD :: 28.2150 CE :: 41.4360 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 :: 8.0070 HA :: 4.6860 HB2 :: 2.0360 HB3 :: 1.7970 HG2 :: 1.4700 HG3 :: 1.4250 HD2 :: 2.0940 HD3 :: 1.9400 HE2 :: 2.9780 HE3 :: 2.9470 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 :: 114.3640 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.8450 CA :: 46.4490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5320 HA2 :: 3.9870 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 :: 108.5970 Ave N Shift Values>> N :: 109.67(3.87) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.25 G 0.23 R 0.08 A 0.01 C Shift Assignments>> C :: 175.0980 CA :: 55.0490 CB :: 44.2950 CG :: 27.8910 CD1 :: 25.4860 CD2 :: 23.5900 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 :: 6.5180 HA :: 4.2300 HB2 :: 1.2700 HB3 :: 1.0740 HG :: 1.4360 HD11 :: 0.7600 HD12 :: 0.7600 HD13 :: 0.7600 HD21 :: 0.7790 HD22 :: 0.7790 HD23 :: 0.7790 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 :: 119.1770 Ave N Shift Values>> N :: 121.86(3.9) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.33 L 0.11 C 0.06 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 174.4840 CA :: 52.0690 CB :: 40.3030 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 :: 7.7250 HA :: 4.7550 HB2 :: 2.8350 HB3 :: 2.5690 HD21 :: 7.9990 HD22 :: 7.0080 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 :: 116.9670 ND2 :: 113.8840 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.33 I 0.05 C 0.03 C Shift Assignments>> C :: 178.0130 CA :: 55.5310 CB :: 18.1870 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.5200 HA :: 3.6910 HB1 :: 0.9970 HB2 :: 0.9970 HB3 :: 0.9970 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.2420 Ave N Shift Values>> N :: 123.23(3.54) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 174.4190 CA :: 47.0190 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.2490 HA2 :: 3.4810 HA3 :: 3.1140 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.8080 Ave N Shift Values>> N :: 109.67(3.87) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.27 Q 0.23 R 0.12 M 0.03 E 0.01 HN Overlap>> 1.R83 1.R83 C Shift Assignments>> C :: 178.2560 CA :: 58.1370 CB :: 28.3290 CG :: 33.0580 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 :: 7.2300 HA :: 3.9240 HB2 :: 2.1690 HB3 :: 1.9870 HG2 :: 2.3390 HG3 :: 2.2700 HE21 :: 7.7430 HE22 :: 6.9440 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 :: 120.9410 NE2 :: 111.7340 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 178.4110 CA :: 65.7720 CB :: 37.6690 CG1 :: 28.3790 CG2 :: 16.8280 CD1 :: 13.9080 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 :: 3.4110 HB :: 1.5860 HG12 :: 1.3740 HG13 :: -0.2130(S) HG21 :: 0.6300 HG22 :: 0.6300 HG23 :: 0.6300 HD11 :: 0.2480 HD12 :: 0.2480 HD13 :: 0.2480 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 :: 120.7710 Ave N Shift Values>> N :: 121.46(4.28) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.G33 1.G33 C Shift Assignments>> C :: 177.5520 CA :: 65.7850 CB :: 30.5050 CG1 :: 22.3310 CG2 :: 20.4040 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 :: 8.1730 HA :: 3.7290 HB :: 1.9450 HG11 :: 0.6420 HG12 :: 0.6420 HG13 :: 0.6420 HG21 :: 0.7180 HG22 :: 0.7180 HG23 :: 0.7180 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 :: 111.4290 Ave N Shift Values>> N :: 121.14(4.54) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.35 G 0.13 K 0.02 HN Overlap>> 1.Q80 1.Q80 C Shift Assignments>> C :: 179.5070 CA :: 59.6670 CB :: 30.0890 CG :: 28.0010 CD :: 43.7560 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 :: 7.2290 HA :: 3.9290 HB2 :: 1.9300 HB3 :: 1.9290 HG2 :: 1.7970 HG3 :: 1.5540 HD2 :: 3.2410 HD3 :: 3.1320 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.9530 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.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.21 K 0.05 Q 0.02 C Shift Assignments>> C :: 179.8070 CA :: 59.3380 CB :: 29.1850 CG :: 36.5550 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 :: 7.9710 HA :: 4.0620 HB2 :: 2.3170 HB3 :: 2.1200 HG2 :: 2.5480 HG3 :: 2.3260 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.3720 Ave N Shift Values>> N :: 120.67(3.48) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.32 R 0.21 A 0.01 C Shift Assignments>> C :: 178.7860 CA :: 56.2430 CB :: 42.0220 CG :: 26.2080 CD1 :: 27.9160 CD2 :: 23.3730 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 :: 8.7920 HA :: 4.4680 HB2 :: 1.6960 HB3 :: 1.5090 HG :: 2.3140 HD11 :: 0.9260 HD12 :: 0.9260 HD13 :: 0.9260 HD21 :: 1.1570 HD22 :: 1.1570 HD23 :: 1.1570 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 :: 117.6060 Ave N Shift Values>> N :: 121.86(3.9) 1.G86 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>> C :: 175.6390 CA :: 45.8850 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0060 HA2 :: 3.5960 HA3 :: 3.4030 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.1830 Ave N Shift Values>> N :: 109.67(3.87) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.4 R 0.12 C Shift Assignments>> C :: 179.8770 CA :: 59.1710 CB :: 31.4740 CG :: 23.9840 CD :: 29.0610 CE :: 41.9990 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 :: 7.4250 HA :: 4.1620 HB2 :: 1.6260 HB3 :: 1.5880 HG2 :: 1.2040 HG3 :: 1.0190 HD2 :: 1.4830 HD3 :: 1.4810 HE2 :: 2.7290 HE3 :: 2.7290 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 :: 120.1580 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.38 C 0.18 C Shift Assignments>> C :: 177.8370 CA :: 61.3570 CB :: 39.4180 CD1 :: 131.8110 CD2 :: 131.8110 CE1 :: 131.7640 CE2 :: 131.7640 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 :: 7.5750 HA :: 4.3820 HB2 :: 3.4670 HB3 :: 2.9120 HD1 :: 7.4970 HD2 :: 7.4970 HE1 :: 7.3750 HE2 :: 7.3750 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 :: 116.5570 Ave N Shift Values>> N :: 120.45(4.18) 1.I89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.0350 CA :: 59.9760 CB :: 37.5520 CG1 :: 27.5020 CG2 :: 17.2000 CD1 :: 14.1760 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 :: 6.8570 HA :: 4.9370 HB :: 1.9340 HG12 :: 1.2660 HG13 :: 0.9300 HG21 :: 0.6120 HG22 :: 0.6120 HG23 :: 0.6120 HD11 :: 0.5090 HD12 :: 0.5090 HD13 :: 0.5090 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 :: 105.7390(S) Ave N Shift Values>> N :: 121.46(4.28) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.28 R 0.15 K 0.12 E 0.04 I 0.01 C Shift Assignments>> C :: 175.5560 CA :: 56.8980 CB :: 27.0380 CG :: 33.9530 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 :: 7.9040 HA :: 4.0170 HB2 :: 2.2390 HB3 :: 2.0440 HG2 :: 2.4740 HG3 :: 2.3190 HE21 :: 7.5540 HE22 :: 6.8300 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 :: 120.7600 NE2 :: 110.9600 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G91 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>> C :: 172.7720 CA :: 45.7730 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8760 HA2 :: 4.5550 HA3 :: 4.4340 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6760 Ave N Shift Values>> N :: 109.67(3.87) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.1770 CA :: 44.9980 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1180 HA2 :: 4.1410 HA3 :: 4.1400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6460 Ave N Shift Values>> N :: 109.67(3.87) 1.G93 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>> C :: 171.6940 CA :: 45.8570 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0960 HA2 :: 4.5140 HA3 :: 4.1580 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.5420 Ave N Shift Values>> N :: 109.67(3.87) 1.G94 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 :: 172.0490 CA :: 44.9860 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1310 HA2 :: 4.2810 HA3 :: 3.8550 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.8710 Ave N Shift Values>> N :: 109.67(3.87) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.1990 CA :: 46.1510 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4920 HA2 :: 4.4370 HA3 :: 3.9940 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3430 Ave N Shift Values>> N :: 109.67(3.87) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.27 C 0.22 E 0.06 M 0.05 R 0.03 C Shift Assignments>> C :: 174.8100 CA :: 54.1220 CB :: 29.2220 CG :: 33.9700 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 :: 8.1350 HA :: 4.6590 HB2 :: 1.9480 HB3 :: 1.5690 HG2 :: 2.5280 HG3 :: 2.5280 HE21 :: 7.7380 HE22 :: 7.0760 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.1010 NE2 :: 112.7650 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 175.8530 CA :: 64.9600 CB :: 32.7170 CG :: 28.1800 CD :: 50.7610 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 :: 4.2470 HB2 :: 2.3170 HB3 :: 1.6580 HG2 :: 2.0970 HG3 :: 1.9320 HD2 :: 3.8880 HD3 :: 3.6410 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.F98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> F 0.45 Y 0.4 C 0.13 C Shift Assignments>> C :: 174.8170 CA :: 54.4190 CB :: 40.4130 CD1 :: 131.9830 CD2 :: 131.9830 CE1 :: 131.7600 CE2 :: 131.7600 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 :: 6.0740 HA :: 5.0320 HB2 :: 3.3940 HB3 :: 2.9150 HD1 :: 7.2570 HD2 :: 7.2770 HE1 :: 7.6300 HE2 :: 7.6300 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 :: 106.0000(S) Ave N Shift Values>> N :: 120.45(4.18) 1.F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.42 C 0.13 C Shift Assignments>> C :: 173.1370 CA :: 55.9230 CB :: 41.2930 CD1 :: 132.1870 CD2 :: 132.1870 CE1 :: 131.6570 CE2 :: 131.6570 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 :: 6.3440 HA :: 5.6340 HB2 :: 3.5510 HB3 :: 2.7140 HD1 :: 7.4070 HD2 :: 7.3790 HE1 :: 7.0940 HE2 :: 7.0940 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 :: 117.6370 Ave N Shift Values>> N :: 120.45(4.18) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 A 0.23 C 0.17 K 0.05 C Shift Assignments>> C :: 173.6180 CA :: 51.0040 CB :: 23.2590 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2530 HA :: 4.4970 HB1 :: 1.0110 HB2 :: 1.0110 HB3 :: 1.0110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.5670 Ave N Shift Values>> N :: 123.23(3.54) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 C 0.49 C Shift Assignments>> C :: 172.5680 CA :: 59.6570 CB :: 72.8900 CG2 :: 21.7580 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 :: 7.7250 HA :: 5.3690 HB :: 4.0600 HG1 :: 5.4360 HG21 :: 1.1260 HG22 :: 1.1260 HG23 :: 1.1260 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 :: 109.5920 Ave N Shift Values>> N :: 115.42(4.75) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 A 0.29 C 0.17 K 0.04 C Shift Assignments>> C :: 175.2810 CA :: 50.7230 CB :: 23.1220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.2260 HA :: 4.8940 HB1 :: 1.0040 HB2 :: 1.0040 HB3 :: 1.0040 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.1450 Ave N Shift Values>> N :: 123.23(3.54) 1.G103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.34 L 0.3 G 0.15 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.5130 CA :: 43.7320 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0970 HA2 :: 5.3020(S) HA3 :: 3.7710 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.4810 Ave N Shift Values>> N :: 109.67(3.87) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.0880 CA :: 46.2380 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5350 HA2 :: 4.6660 HA3 :: 3.7410 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.5510 Ave N Shift Values>> N :: 109.67(3.87) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.4 R 0.09 C Shift Assignments>> C :: 175.3920 CA :: 56.4040 CB :: 33.9510 CG :: 24.8330 CD :: 29.4980 CE :: 42.0420 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 :: 7.3490 HA :: 4.7590 HB2 :: 2.1130 HB3 :: 1.9590 HG2 :: 1.6390 HG3 :: 1.5990 HD2 :: 1.8120 HD3 :: 1.7760 HE2 :: 3.0550 HE3 :: 3.0560 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 :: 116.9260 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.24 C 0.08 L 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.3560 CA :: 50.0540 CB :: 39.9160 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 :: 8.1070 HA :: 5.5410 HB2 :: 2.5340 HB3 :: 2.5330 HD21 :: 7.3230 HD22 :: 7.2310 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.7800 ND2 :: 111.8700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P107 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 :: 177.3950 CA :: 64.7090 CB :: 31.7620 CG :: 27.4090 CD :: 51.2130 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 :: 4.1300 HB2 :: 2.0640 HB3 :: 1.9540 HG2 :: 2.0280 HG3 :: 1.6150 HD2 :: 4.1090 HD3 :: 3.4170 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.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.43 I 0.02 C 0.01 C Shift Assignments>> C :: 179.1970 CA :: 54.5490 CB :: 17.6810 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9990 HA :: 4.2200 HB1 :: 1.5140 HB2 :: 1.5140 HB3 :: 1.5140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.0370 Ave N Shift Values>> N :: 123.23(3.54) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.4020 CA :: 45.2520 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6790 HA2 :: 4.3330 HA3 :: 4.0490 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.2840 Ave N Shift Values>> N :: 109.67(3.87) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.7820 CA :: 66.3060 CB :: 37.5140 CG1 :: 31.4290 CG2 :: 17.2580 CD1 :: 14.2960 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 :: 7.5930 HA :: 3.2240 HB :: 1.8980 HG12 :: 1.8400 HG13 :: 0.7750 HG21 :: 0.7520 HG22 :: 0.7520 HG23 :: 0.7520 HD11 :: 0.9490 HD12 :: 0.9490 HD13 :: 0.9490 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 :: 120.3980 Ave N Shift Values>> N :: 121.46(4.28) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.22 I 0.07 C 0.02 C Shift Assignments>> C :: 180.3980 CA :: 55.9420 CB :: 17.8190 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2090 HA :: 3.8650 HB1 :: 1.4330 HB2 :: 1.4330 HB3 :: 1.4330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.7000 Ave N Shift Values>> N :: 123.23(3.54) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.34 I 0.18 K 0.03 M 0.01 C Shift Assignments>> C :: 178.6900 CA :: 59.0450 CB :: 29.7710 CG :: 37.0250 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 :: 7.7430 HA :: 3.7760 HB2 :: 1.8950 HB3 :: 1.5970 HG2 :: 2.1040 HG3 :: 1.8800 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 :: 117.7690 Ave N Shift Values>> N :: 120.67(3.48) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.41 C 0.03 I 0.02 C Shift Assignments>> C :: 178.1300 CA :: 55.0130 CB :: 18.6940 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6280 HA :: 3.6330 HB1 :: 1.4820 HB2 :: 1.4820 HB3 :: 1.4820 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.4480 Ave N Shift Values>> N :: 123.23(3.54) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 L 0.31 A 0.02 C Shift Assignments>> C :: 179.6410 CA :: 57.8270 CB :: 40.0580 CG :: 25.9080 CD1 :: 26.4950 CD2 :: 21.7460 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 :: 8.1120 HA :: 3.8360 HB2 :: 1.8660 HB3 :: 1.2280 HG :: 1.9940 HD11 :: 0.6480 HD12 :: 0.6480 HD13 :: 0.6480 HD21 :: 0.4640 HD22 :: 0.4640 HD23 :: 0.4640 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 113.5580 Ave N Shift Values>> N :: 121.86(3.9) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.31 Q 0.13 K 0.13 M 0.05 I 0.04 C Shift Assignments>> C :: 179.4510 CA :: 58.2570 CB :: 29.7680 CG :: 35.4260 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 :: 7.3100 HA :: 4.0980 HB2 :: 1.9550 HB3 :: 1.9550 HG2 :: 2.2710 HG3 :: 2.2300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.1480 Ave N Shift Values>> N :: 120.67(3.48) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.26 C 0.02 C Shift Assignments>> C :: 179.5340 CA :: 54.1540 CB :: 18.9610 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9850 HA :: 4.0420 HB1 :: 1.3880 HB2 :: 1.3880 HB3 :: 1.3880 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.8020 Ave N Shift Values>> N :: 123.23(3.54) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.29 C 0.03 I 0.01 HN Overlap>> 1.Q44 1.Q44 C Shift Assignments>> C :: 177.5960 CA :: 54.3540 CB :: 18.9280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6140 HA :: 4.2510 HB1 :: 1.6770 HB2 :: 1.6770 HB3 :: 1.6770 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.6940 Ave N Shift Values>> N :: 123.23(3.54) 1.K118 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 C Shift Assignments>> C :: 178.7950 CA :: 58.9030 CB :: 32.0410 CG :: 26.2660 CD :: 29.4830 CE :: 42.2880 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 :: 7.2560 HA :: 3.4390 HB2 :: 1.6870 HB3 :: 1.6870 HG2 :: 1.5080 HG3 :: 1.0930 HD2 :: 1.6520 HD3 :: 1.6100 HE2 :: 2.9710 HE3 :: 2.9450 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 :: 112.8600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.42 R 0.08 C Shift Assignments>> C :: 177.6200 CA :: 58.0860 CB :: 31.3520 CG :: 23.9660 CD :: 28.9650 CE :: 41.4700 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 :: 7.7090 HA :: 3.9350 HB2 :: 1.6610 HB3 :: 1.5470 HG2 :: 1.1900 HG3 :: 0.9540 HD2 :: 1.4840 HD3 :: 1.4840 HE2 :: 2.7840 HE3 :: 2.7830 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.1840 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y120 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 :: 175.2130 CA :: 59.8600 CB :: 37.5310 CD1 :: 133.0910 CD2 :: 133.0910 CE1 :: 118.1740 CE2 :: 118.1740 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 :: 7.3200 HA :: 4.2500 HB2 :: 3.1350 HB3 :: 2.6830 HD1 :: 7.4520 HD2 :: 7.4520 HE1 :: 6.7740 HE2 :: 6.7860 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.9060 Ave N Shift Values>> N :: 120.52(4.2) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.23 A 0.05 C Shift Assignments>> C :: 175.9060 CA :: 54.5000 CB :: 41.3980 CG :: 26.7670 CD1 :: 24.7960 CD2 :: 22.9030 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 :: 7.1530 HA :: 4.1330 HB2 :: 1.5670 HB3 :: 1.3950 HG :: 1.1820 HD11 :: 0.0620 HD12 :: 0.0620 HD13 :: 0.0620 HD21 :: 0.4480 HD22 :: 0.4480 HD23 :: 0.4480 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 :: 117.1240 Ave N Shift Values>> N :: 121.86(3.9) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 180.8200 CA :: 63.6580 CB :: 32.9550 CG1 :: 21.5550 CG2 :: 19.8700 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 :: 6.7890 HA :: 3.8420 HB :: 2.0510 HG11 :: 0.8210 HG12 :: 0.8210 HG13 :: 0.8210 HG21 :: 0.8200 HG22 :: 0.8200 HG23 :: 0.8200 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 :: 120.8380 Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 116 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 121 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 122 #Suspicious: 0 C Shift Results: #Consistent: 530 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 856 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 128 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.E16 HG3 = 1.4400(S), Expected = 2.25, Std = 0.2200, ChiSquare = 2.3158e-04 1.G53 HA2 = 5.7730(S), Expected = 3.97, Std = 0.3700, ChiSquare = 1.0993e-06 1.I81 HG13 = -0.2130(S), Expected = 1.19, Std = 0.4100, ChiSquare = 6.2173e-04 1.I89 N = 105.7390(S), Expected = 121.46, Std = 4.2800, ChiSquare = 2.3960e-04 1.F98 N = 106.0000(S), Expected = 120.45, Std = 4.1800, ChiSquare = 5.4635e-04 1.G103 HA2 = 5.3020(S), Expected = 3.97, Std = 0.3700, ChiSquare = 3.1822e-04