Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.46 K 0.25 M 0.17 E 0.09 R 0.01 C Shift Assignments>> CA :: 55.0180 CB :: 30.3290 CG :: 33.7460 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.2000 HB2 :: 2.0300 HB3 :: 2.1670 HG2 :: 2.5100 HG3 :: 2.5100 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.K2 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.96 G 0.03 HN Overlap>> 1.A31 1.A31 C Shift Assignments>> C :: 175.8260 CA :: 57.4750 CB :: 34.0090 CG :: 29.7250(S) CD :: 25.7270 CE :: 42.2350 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 :: 9.1670 HA :: 3.9540 HB2 :: 1.0710 HB3 :: 1.4370 HG2 :: 1.6000 HG3 :: 1.7500 HD2 :: 1.4900 HD3 :: 1.6800 HE2 :: 3.0300 HE3 :: 3.0300 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 :: 127.3990 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.22 K 0.09 C Shift Assignments>> C :: 176.7190 CA :: 54.0820 CB :: 32.8160 CG :: 27.2670 CD :: 43.5880 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 :: 7.7050 HA :: 4.7970 HB2 :: 1.3890 HB3 :: 1.4540 HG2 :: 1.1300 HG3 :: 1.2750 HD2 :: 3.0500 HD3 :: 3.0500 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 :: 121.2070 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.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 L 0.25 F 0.17 D 0.16 R 0.08 I 0.01 N 0.01 C Shift Assignments>> C :: 176.1800 CA :: 56.5840 CB :: 41.7580 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 :: 8.9130 HA :: 4.7290 HB2 :: 2.5190 HB3 :: 2.7380 HD2 :: 6.4230 HE2 :: 6.5346 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 :: 124.3800 Ave N Shift Values>> N :: 120.45(4.18) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 L 0.22 N 0.19 F 0.08 K 0.07 C Shift Assignments>> C :: 177.5240 CA :: 53.3440 CB :: 41.0430 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 :: 9.1130 HA :: 4.3900 HB2 :: 2.8600 HB3 :: 3.0600 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 :: 123.3310 Ave N Shift Values>> N :: 120.65(3.86) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.05 G 0.04 A 0.01 C Shift Assignments>> CA :: 55.2600 CB :: 42.6800 CG :: 26.9300 CD1 :: 24.7800 CD2 :: 23.6600 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 :: 8.3050 HA :: 4.3040 HB2 :: 1.4870 HB3 :: 1.5550 HG :: 1.5610 HD11 :: 0.8680 HD12 :: 0.8680 HD13 :: 0.8680 HD21 :: 0.8680 HD22 :: 0.8680 HD23 :: 0.8680 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 :: 122.5400 Ave N Shift Values>> N :: 121.86(3.9) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 R 0.13 C Shift Assignments>> C :: 177.6640 CA :: 56.4631 CB :: 29.3150 CG :: 28.6600 CD :: 45.1130 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 :: 8.2930 HA :: 4.1560 HB2 :: 1.7700 HB3 :: 1.7800 HG2 :: 1.6400 HG3 :: 1.6600 HD2 :: 3.0024 HD3 :: 3.2234 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 :: 121.7150 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.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.8860 CA :: 65.1930 CB :: 31.5660 CG :: 28.1650 CD :: 51.0610 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 :: 4.3650 HB2 :: 2.4380 HB3 :: 1.7010 HG2 :: 1.9400 HG3 :: 2.0400 HD2 :: 3.5564 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.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.05 C Shift Assignments>> C :: 178.8970 CA :: 54.8780 CB :: 41.2220 CG :: 26.9210 CD1 :: 23.1560 CD2 :: 23.1560 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 :: 7.3100 HA :: 4.1750 HB2 :: 1.7540 HB3 :: 1.6020 HG :: 1.4370 HD11 :: 1.0200 HD12 :: 1.0200 HD13 :: 1.0200 HD21 :: 0.9000 HD22 :: 0.9000 HD23 :: 0.9000 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.1070 Ave N Shift Values>> N :: 121.86(3.9) 1.K10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 178.8050 CA :: 57.6930 CB :: 34.1245 CG :: 23.8971 CD :: 27.1145 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 :: 8.1320 HA :: 3.8230 HB2 :: 1.6500 HB3 :: 1.8000 HG2 :: 0.3900(S) HG3 :: 0.6000 HD2 :: 1.7891 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 :: 116.5630 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.14 C Shift Assignments>> C :: 178.8770 CA :: 53.2920 CB :: 19.3100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2390 HA :: 4.3990 HB1 :: 1.4810 HB2 :: 1.4810 HB3 :: 1.4810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1340 Ave N Shift Values>> N :: 123.23(3.54) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 P 0.06 A 0.05 L 0.04 N 0.01 C Shift Assignments>> C :: 178.6140 CA :: 47.6400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1860 HA2 :: 3.5820 HA3 :: 4.5450 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6610 Ave N Shift Values>> N :: 109.67(3.87) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.2345 CA :: 60.5000 CB :: 36.9700 CG1 :: 27.9800 CD1 :: 12.6880 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 :: 8.3090 HA :: 4.1500 HB :: 2.3000 HG12 :: 1.9560 HG13 :: 2.0170 HG21 :: 0.6870 HG22 :: 0.6870 HG23 :: 0.6870 HD11 :: 0.4420 HD12 :: 0.4420 HD13 :: 0.4420 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 :: 123.4648 Ave N Shift Values>> N :: 121.46(4.28) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 F 0.05 V 0.03 C Shift Assignments>> C :: 179.3010 CA :: 63.8830 CB :: 37.6080 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 :: 7.8010 HA :: 3.3540 HB2 :: 2.3650 HB3 :: 2.6520 HD1 :: 6.5270 HE1 :: 7.1250 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.5600 Ave N Shift Values>> N :: 120.45(4.18) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 E 0.24 K 0.18 Q 0.15 R 0.02 HN Overlap>> 1.I43 1.R16 1.I43 1.R16 C Shift Assignments>> C :: 181.4280 CA :: 60.5790 CB :: 28.1580 CG :: 35.1100 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 :: 8.3310 HA :: 4.2600 HB2 :: 1.9000 HB3 :: 2.0690 HG2 :: 2.1890 HG3 :: 2.3640 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 :: 121.5670 Ave N Shift Values>> N :: 120.67(3.48) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 R 0.44 L 0.08 G 0.01 HN Overlap>> 1.E15 1.I43 1.E15 1.I43 C Shift Assignments>> C :: 179.4180 CA :: 56.8770 CB :: 29.3970 CG :: 26.2500 CD :: 42.3690 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 :: 8.2400 HA :: 4.1040 HB2 :: 1.6900 HB3 :: 1.7770 HG2 :: 1.5400 HG3 :: 1.5400 HD2 :: 3.0800 HD3 :: 3.4500 HE :: 7.2610 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 :: 121.6020 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.L17 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 G 0.22 A 0.03 C Shift Assignments>> C :: 179.1360 CA :: 59.1040 CB :: 42.7700 CG :: 25.4400 CD1 :: 18.0000(S) CD2 :: 14.8000(S) 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 :: 8.1340 HA :: 3.6190 HB2 :: 1.1450 HB3 :: 1.4620 HG :: 1.4300 HD11 :: 0.3100 HD12 :: 0.3100 HD13 :: 0.3100 HD21 :: 0.0100 HD22 :: 0.0100 HD23 :: 0.0100 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 :: 119.7690 Ave N Shift Values>> N :: 121.86(3.9) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.24 K 0.17 Q 0.12 M 0.01 C Shift Assignments>> C :: 179.6430 CA :: 59.9290 CB :: 29.1700 CG :: 35.5820 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 :: 7.6740 HA :: 3.8890 HB2 :: 2.2800 HB3 :: 2.2700 HG2 :: 2.4000 HG3 :: 2.4000 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.5470 Ave N Shift Values>> N :: 120.67(3.48) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.17 M 0.07 K 0.07 Q 0.05 C Shift Assignments>> C :: 180.3740 CA :: 59.4410 CB :: 30.2690 CG :: 36.2010 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 :: 7.7820 HA :: 4.0470 HB2 :: 2.1600 HB3 :: 2.1320 HG2 :: 2.3800 HG3 :: 2.3800 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.2110 Ave N Shift Values>> N :: 120.67(3.48) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 G 0.03 A 0.03 V 0.01 C Shift Assignments>> C :: 181.6660 CA :: 57.8620 CB :: 42.1110 CG :: 26.6510 CD1 :: 22.0010 CD2 :: 22.0010 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 :: 8.5070 HA :: 3.7610 HB2 :: 1.6200 HB3 :: 1.7800 HG :: 1.5310 HD11 :: 0.5350 HD12 :: 0.5350 HD13 :: 0.5350 HD21 :: 0.3900 HD22 :: 0.3900 HD23 :: 0.3900 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 :: 119.2640 Ave N Shift Values>> N :: 121.86(3.9) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 181.6960 CA :: 65.1740 CB :: 38.4200 CG1 :: 27.6600 CD1 :: 13.9900 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 :: 7.7500 HA :: 3.6970 HB :: 1.6170 HG12 :: 1.8300 HG13 :: 1.8300 HG21 :: 0.8730 HG22 :: 0.8730 HG23 :: 0.8730 HD11 :: 0.4140 HD12 :: 0.4140 HD13 :: 0.4140 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.8790 Ave N Shift Values>> N :: 121.46(4.28) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.21 K 0.08 Q 0.06 M 0.05 C Shift Assignments>> C :: 180.4240 CA :: 59.8640 CB :: 30.0470 CG :: 36.0530 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 :: 8.2030 HA :: 3.8910 HB2 :: 2.1740 HB3 :: 2.1740 HG2 :: 2.4000 HG3 :: 2.4000 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 :: 116.6560 Ave N Shift Values>> N :: 120.67(3.48) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.36 G 0.01 C Shift Assignments>> C :: 180.6390 CA :: 57.9520 CB :: 34.6550 CG :: 25.8610 CD :: 29.1100 CE :: 42.2170 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 :: 8.7130 HA :: 4.3920 HB2 :: 1.9600 HB3 :: 1.9290 HG2 :: 1.4900 HG3 :: 1.4900 HD2 :: 1.6900 HD3 :: 1.6900 HE2 :: 3.0300 HE3 :: 3.0300 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 :: 113.4260 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.22 Q 0.07 K 0.05 I 0.02 C Shift Assignments>> C :: 177.4070 CA :: 56.2410 CB :: 30.6640 CG :: 36.3200 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 :: 8.2250 HA :: 4.7300 HB2 :: 1.9760 HB3 :: 2.6330 HG2 :: 2.3300 HG3 :: 2.1200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.9430 Ave N Shift Values>> N :: 120.67(3.48) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.46 C Shift Assignments>> C :: 177.2860 CA :: 55.0220 CB :: 37.4160 CG :: 32.6310 CE :: 17.2400 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 :: 6.8600 HA :: 4.8320 HB2 :: 2.0670 HB3 :: 2.3540 HG2 :: 2.4300 HG3 :: 2.4300 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 :: 115.0750 Ave N Shift Values>> N :: 120.09(3.57) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.34 R 0.15 M 0.08 P 0.02 E 0.01 C Shift Assignments>> C :: 175.7180 CA :: 52.9090 CB :: 28.4170 CG :: 33.1450 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 :: 9.2640 HA :: 4.3450 HB2 :: 1.8720 HB3 :: 1.9900 HG2 :: 2.3230 HG3 :: 2.3230 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 :: 122.8010 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.4500 CA :: 64.9080 CB :: 31.2650 CG :: 28.4740 CD :: 49.7860 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 :: 3.9150 HB2 :: 2.4460 HB3 :: 1.9190 HG2 :: 1.7100 HG3 :: 2.2600 HD2 :: 3.6700 HD3 :: 3.6700 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.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 F 0.26 D 0.24 L 0.1 I 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 179.4210 CA :: 55.3680 CB :: 38.9670 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 :: 8.4580 HA :: 4.4750 HB2 :: 3.0930 HB3 :: 3.0930 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.9950 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.34 I 0.01 Q 0.01 C Shift Assignments>> C :: 175.8830 CA :: 56.8760 CB :: 31.8630 CG :: 37.0190 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 :: 8.2940 HA :: 4.2910 HB2 :: 2.0900 HB3 :: 2.2700 HG2 :: 2.5200 HG3 :: 2.5200 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 :: 123.1280 Ave N Shift Values>> N :: 120.67(3.48) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.2010 CA :: 60.5620 CB :: 33.4190 CG1 :: 22.3200 CG2 :: 22.3200 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0670 HA :: 5.2930 HB :: 1.8900 HG11 :: 0.9040 HG12 :: 0.9040 HG13 :: 0.9040 HG21 :: 0.9040 HG22 :: 0.9040 HG23 :: 0.9040 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 :: 123.6350 Ave N Shift Values>> N :: 121.14(4.54) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 P 0.17 K 0.17 R 0.03 A 0.01 Q 0.01 H 0.01 HN Overlap>> 1.K2 1.K2 C Shift Assignments>> C :: 176.1790 CA :: 51.4700 CB :: 24.7720 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0860 HA :: 4.9190 HB1 :: 1.3060 HB2 :: 1.3060 HB3 :: 1.3060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.3910 Ave N Shift Values>> N :: 123.23(3.54) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.3000 CA :: 59.6040 CB :: 41.4160 CG1 :: 28.8410 CG2 :: 17.3520 CD1 :: 14.1190 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 :: 8.1750 HA :: 5.1020 HB :: 1.5700 HG12 :: 0.9440 HG13 :: 0.9440 HG21 :: 0.7850 HG22 :: 0.7850 HG23 :: 0.7850 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.4680 Ave N Shift Values>> N :: 121.46(4.28) 1.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 L 0.25 F 0.19 D 0.17 R 0.06 I 0.01 N 0.01 C Shift Assignments>> C :: 176.6950 CA :: 56.6270 CB :: 41.5830 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 :: 9.2770 HA :: 5.4070 HB2 :: 2.7400 HB3 :: 3.1200 HD1 :: 7.0750 HD2 :: 7.0750 HE1 :: 7.1245 HE2 :: 7.1245 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 :: 123.9260 Ave N Shift Values>> N :: 120.45(4.18) 1.M34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.38 Q 0.05 K 0.03 C Shift Assignments>> C :: 177.1230 CA :: 53.5150 CB :: 36.4470 CG :: 30.9610 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 :: 8.6060 HA :: 5.5170 HB2 :: 1.9300 HB3 :: 1.8960 HG2 :: 2.4560 HG3 :: 2.4315 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.5190 Ave N Shift Values>> N :: 120.09(3.57) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.24 D 0.22 F 0.17 R 0.04 N 0.03 I 0.01 C Shift Assignments>> C :: 175.1880 CA :: 56.1000 CB :: 41.4500 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 :: 8.8320 HA :: 4.6420 HB2 :: 2.9430 HB3 :: 3.5380 HD1 :: 7.0300 HD2 :: 7.0300 HE1 :: 7.1200 HE2 :: 7.1200 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.1190 Ave N Shift Values>> N :: 120.45(4.18) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.7 M 0.18 I 0.06 K 0.02 Q 0.01 C Shift Assignments>> C :: 179.2580 CA :: 57.1840 CB :: 30.8440 CG :: 37.1260 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 :: 9.4210 HA :: 4.8900 HB2 :: 2.0900 HB3 :: 2.0900 HG2 :: 2.4400 HG3 :: 2.2800 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 :: 120.5980 Ave N Shift Values>> N :: 120.67(3.48) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.5500 CA :: 65.9230 CG1 :: 21.1300 CG2 :: 20.4400 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 :: 9.0050 HA :: 4.2300 HG11 :: 0.9130 HG12 :: 0.9130 HG13 :: 0.9130 HG21 :: 0.8800 HG22 :: 0.8800 HG23 :: 0.8800 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.8170 Ave N Shift Values>> N :: 121.14(4.54) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.24 R 0.11 F 0.03 D 0.02 C Shift Assignments>> C :: 173.8600 CA :: 44.5600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4400 HA2 :: 3.8900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.6600 Ave N Shift Values>> N :: 109.67(3.87) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 E 0.2 F 0.11 M 0.1 D 0.05 K 0.02 I 0.01 L 0.01 C Shift Assignments>> C :: 177.5500 CA :: 54.4200 CB :: 37.1500 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 :: 8.3300 HA :: 4.9100 HB2 :: 2.3500 HB3 :: 2.8700 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 :: 119.4400 Ave N Shift Values>> N :: 120.65(3.86) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 M 0.19 K 0.08 F 0.07 N 0.06 Q 0.05 I 0.03 C Shift Assignments>> CA :: 56.2500 CB :: 36.1500 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 :: 7.9490 HA :: 4.6200 HB3 :: 3.1000 HD2 :: 6.8900 HE2 :: 7.1100 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 :: 123.3610 Ave N Shift Values>> N :: 120.45(4.18) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5540 CA :: 59.6600 CB :: 63.2200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5190 HA :: 4.4920 HB2 :: 3.7800 HB3 :: 3.7800 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 :: 121.4830 Ave N Shift Values>> N :: 116.28(3.52) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.13 F 0.09 L 0.03 E 0.03 M 0.02 C Shift Assignments>> CA :: 53.4900 CB :: 38.1200 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 :: 8.3300 HA :: 4.9100 HB2 :: 2.5000 HB3 :: 3.1600 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 :: 118.9200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E15 1.E15 1.R16 1.R16 C Shift Assignments>> CA :: 60.1100 CB :: 38.4400 CG1 :: 28.4400 CD1 :: 13.4613 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 :: 8.2930 HA :: 4.1800 HB :: 1.8900 HG12 :: 1.3300 HD11 :: 0.8760 HD12 :: 0.8760 HD13 :: 0.8760 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.5400 Ave N Shift Values>> N :: 121.46(4.28) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> C :: 176.4650 CA :: 65.3580 CB :: 30.4410 CG :: 27.8690 CD :: 49.2240 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 :: 4.4610 HB2 :: 2.3330 HB3 :: 1.9620 HG2 :: 1.9100 HD2 :: 3.5400 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.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.13 C Shift Assignments>> C :: 181.4670 CA :: 59.7120 CB :: 33.2810 CG :: 25.5420 CD :: 28.9870 CE :: 41.7480 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 :: 7.2700 HA :: 4.1280 HB2 :: 1.7500 HB3 :: 1.9200 HG2 :: 1.2300 HG3 :: 1.2300 HD2 :: 1.5800 HD3 :: 1.5800 HE2 :: 2.7000 HE3 :: 2.7000 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 :: 116.2360 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.4320 CA :: 63.2020 CB :: 62.1180 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2930 HA :: 4.0800 HB2 :: 3.7300 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 :: 116.0590 Ave N Shift Values>> N :: 116.28(3.52) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.06 C Shift Assignments>> C :: 181.5280 CA :: 55.7040 CB :: 18.3260 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.9900 HA :: 4.1280 HB1 :: 1.5900 HB2 :: 1.5900 HB3 :: 1.5900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.5790 Ave N Shift Values>> N :: 123.23(3.54) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.35 E 0.11 M 0.09 I 0.02 R 0.02 C Shift Assignments>> C :: 180.8220 CA :: 59.1000 CB :: 29.7700 CG :: 33.7410 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 :: 7.8630 HA :: 4.0620 HB2 :: 2.0900 HB3 :: 2.0920 HG2 :: 2.2580 HG3 :: 2.3770 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 :: 117.9800 Ave N Shift Values>> N :: 120.67(3.48) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 F 0.25 L 0.19 D 0.09 R 0.08 I 0.04 C Shift Assignments>> C :: 179.5800 CA :: 57.8130 CB :: 41.6950 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 :: 8.3410 HA :: 4.1170 HB2 :: 3.1200 HB3 :: 3.0890 HD2 :: 7.1250 HE2 :: 7.2380 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 :: 122.1790 Ave N Shift Values>> N :: 120.45(4.18) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.6980 CA :: 62.8840 CB :: 36.6690 CG1 :: 27.6820 CG2 :: 18.4470 CD1 :: 11.8690 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 :: 8.3220 HA :: 3.5330 HB :: 1.6200 HG12 :: 1.3250 HG13 :: 1.3250 HG21 :: 0.8600 HG22 :: 0.8600 HG23 :: 0.8600 HD11 :: 0.6842 HD12 :: 0.6842 HD13 :: 0.6842 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.4690 Ave N Shift Values>> N :: 121.46(4.28) 1.Q51 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.31 E 0.19 I 0.07 R 0.05 M 0.01 C Shift Assignments>> C :: 182.6270(A) CA :: 58.8620 CB :: 28.4510 CG :: 34.5160 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 :: 7.8870 HA :: 4.2610 HB2 :: 2.1800 HB3 :: 2.1540 HG2 :: 2.4200 HG3 :: 2.5800 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 :: 117.1900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.4010 CB :: 62.6150 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5560 HA :: 4.1370 HB2 :: 4.0000 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 :: 117.6700 Ave N Shift Values>> N :: 116.28(3.52) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 K 0.46 A 0.02 G 0.01 C Shift Assignments>> C :: 177.9110 CA :: 54.6620 CB :: 32.6520 CG :: 23.7550 CD :: 27.4930 CE :: 42.2900 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 :: 7.0640 HA :: 4.1700 HB2 :: 1.5800 HB3 :: 1.8500 HG2 :: 0.9000 HG3 :: 0.9900 HD2 :: 1.2900 HD3 :: 1.3700 HE2 :: 2.4200 HE3 :: 2.6300 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 :: 119.0080 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 175.5280 CA :: 45.1180 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5480 HA2 :: 3.6600 HA3 :: 3.9200 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.1880 Ave N Shift Values>> N :: 109.67(3.87) 1.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 H 0.18 R 0.17 K 0.12 W 0.11 E 0.09 Q 0.09 C Shift Assignments>> C :: 175.2400 CA :: 54.8470 CB :: 31.3150 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 :: 6.9980 HA :: 4.9470 HB2 :: 2.6590 HB3 :: 3.4250 HD1 :: 8.9910 HE1 :: 8.1150 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 :: 118.2940 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 E 0.37 Q 0.02 HN Overlap>> 1.S60 1.S60 C Shift Assignments>> C :: 176.7660 CA :: 55.1620 CB :: 33.1100 CG :: 36.3890 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 :: 8.5090 HA :: 4.6660 HB2 :: 2.0500 HB3 :: 2.0190 HG2 :: 2.3010 HG3 :: 2.3010 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 :: 118.2050 Ave N Shift Values>> N :: 120.67(3.48) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 G 0.06 R 0.01 K 0.01 C Shift Assignments>> C :: 177.8540 CA :: 53.7800 CB :: 42.6760 CG :: 25.4650 CD1 :: 25.3300 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 :: 8.9780 HA :: 4.7860 HB2 :: 1.3100 HB3 :: 1.2850 HG :: 1.5170 HD11 :: 0.8720 HD12 :: 0.8720 HD13 :: 0.8720 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.7690 Ave N Shift Values>> N :: 121.86(3.9) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.24 R 0.19 F 0.12 D 0.12 C Shift Assignments>> C :: 179.4690 CA :: 56.5340 CB :: 42.3710 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 :: 9.1280 HA :: 4.4020 HB2 :: 1.5300 HB3 :: 1.5070 HD11 :: 0.8620 HD12 :: 0.8620 HD13 :: 0.8620 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 :: 128.3640 Ave N Shift Values>> N :: 121.86(3.9) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.27 N 0.12 K 0.1 R 0.05 F 0.05 C Shift Assignments>> C :: 175.5600 CA :: 52.3890 CB :: 41.8870 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 :: 7.5740 HA :: 4.9180 HB2 :: 2.4760 HB3 :: 2.6480 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 :: 113.6220 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E56 1.E56 C Shift Assignments>> CA :: 56.9250 CB :: 63.6490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4360 HA :: 4.0450 HB2 :: 3.5620 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 :: 118.1340 Ave N Shift Values>> N :: 116.28(3.52) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.38 R 0.19 C Shift Assignments>> CA :: 55.1060 CB :: 44.5770 CG :: 26.2230 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 :: 8.7250 HA :: 4.2190 HB2 :: 1.3770 HB3 :: 1.4950 HG :: 1.6520 HD11 :: 0.7270 HD12 :: 0.7270 HD13 :: 0.7270 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 :: 128.2660 Ave N Shift Values>> N :: 121.86(3.9) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 K 0.41 M 0.08 Q 0.03 C Shift Assignments>> C :: 176.5600 CA :: 57.2900 CB :: 30.8280 CG :: 28.4400 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 :: 7.3030 HA :: 4.3120 HB2 :: 1.7920 HB3 :: 1.7630 HG2 :: 1.3860 HG3 :: 1.3860 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 :: 122.3830 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 F 0.34 C Shift Assignments>> CA :: 61.3770 CB :: 39.9080 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 :: 8.3210 HA :: 4.6130 HB2 :: 2.4830 HB3 :: 2.9100 HD2 :: 6.8910 HE2 :: 7.1800 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.5600 Ave N Shift Values>> N :: 120.45(4.18) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 E 0.08 F 0.08 D 0.07 M 0.05 L 0.01 C Shift Assignments>> C :: 176.6420 CA :: 53.4650 CB :: 37.4500 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 :: 8.1010 HA :: 4.3770 HB2 :: 2.8800 HB3 :: 2.8750 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.6160 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.32 E 0.2 I 0.08 R 0.04 M 0.01 C Shift Assignments>> C :: 178.4110 CA :: 59.1270 CB :: 28.6500 CG :: 34.4980 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 :: 8.3300 HA :: 4.2750 HB2 :: 2.1910 HB3 :: 2.1910 HG2 :: 2.4150 HG3 :: 2.5760 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.5480 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 L 0.31 C Shift Assignments>> C :: 178.8930 CA :: 52.7510 CB :: 21.7050 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3460 HA :: 4.6520 HB1 :: 1.4430 HB2 :: 1.4430 HB3 :: 1.4430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.8020 Ave N Shift Values>> N :: 123.23(3.54) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.22 R 0.04 D 0.02 F 0.01 C Shift Assignments>> C :: 175.6390 CA :: 54.7260 CB :: 45.1520 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 :: 8.1170 HA :: 4.6120 HB2 :: 2.6830 HB3 :: 2.6830 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 :: 118.9090 Ave N Shift Values>> N :: 120.65(3.86) 1.W68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.27 M 0.26 K 0.22 R 0.06 H 0.06 W 0.04 E 0.03 V 0.02 C Shift Assignments>> CA :: 56.2530 CB :: 33.7190 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 :: 8.3100 HA :: 4.4770 HB3 :: 2.6340 HD1 :: 7.2130 HE1 :: 9.8100 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) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 176.0050 CA :: 58.8550 CB :: 72.7550 CG2 :: 22.7950 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 :: 7.9850 HA :: 5.6050 HB :: 3.7500 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.4950 Ave N Shift Values>> N :: 115.42(4.75) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 G 0.01 C Shift Assignments>> C :: 175.7510 CA :: 59.6370 CB :: 41.6890 CG1 :: 26.3840 CG2 :: 17.6830 CD1 :: 12.6000 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 :: 8.8070 HA :: 5.3840 HB :: 2.1200 HG13 :: 1.4370 HG21 :: 0.8170 HG22 :: 0.8170 HG23 :: 0.8170 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 :: 114.4480 Ave N Shift Values>> N :: 121.46(4.28) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.6250 CA :: 61.6470 CB :: 32.4820 CG1 :: 21.8540 CG2 :: 19.8580 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 :: 8.5000 HA :: 5.0120 HB :: 1.9400 HG11 :: 0.8690 HG12 :: 0.8690 HG13 :: 0.8690 HG21 :: 0.6910 HG22 :: 0.6910 HG23 :: 0.6910 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 :: 124.0840 Ave N Shift Values>> N :: 121.14(4.54) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 I 0.03 A 0.01 L 0.01 C Shift Assignments>> C :: 175.4440 CA :: 60.2520 CB :: 37.4250 CG1 :: 22.1870 CG2 :: 20.4710 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 :: 9.2800 HA :: 5.1470 HB :: 2.1000 HG11 :: 1.0330 HG12 :: 1.0330 HG13 :: 1.0330 HG21 :: 0.8740 HG22 :: 0.8740 HG23 :: 0.8740 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 :: 127.7530 Ave N Shift Values>> N :: 121.14(4.54) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 G 0.36 K 0.12 C Shift Assignments>> C :: 177.9810 CA :: 53.7880 CB :: 33.8550 CG :: 26.4980 CD :: 43.5920 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.1940 HA :: 5.4580 HB2 :: 1.5620 HB3 :: 1.9650 HG2 :: 1.3550 HG3 :: 1.4750 HD2 :: 3.2490 HD3 :: 3.2490 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.8390 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.63 K 0.31 G 0.05 C Shift Assignments>> C :: 178.3400 CA :: 55.9830 CB :: 33.1030 CG :: 26.3460 CD :: 30.0180 CE :: 42.9800 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 10.9300(S) HA :: 4.3230 HB2 :: 1.4800 HB3 :: 2.1700 HG2 :: 1.1530 HG3 :: 1.4970 HD2 :: 1.7200 HD3 :: 1.7200 HE2 :: 2.8930 HE3 :: 2.8930 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 :: 129.5220 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.91 L 0.05 A 0.02 C Shift Assignments>> CA :: 55.9270 CB :: 29.7300 CG :: 23.8710 CD :: 28.2340 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 :: 10.8730(S) HA :: 4.4890 HB2 :: 1.8780 HB3 :: 1.8780 HG2 :: 1.3560 HG3 :: 1.3560 HD2 :: 1.6032 HD3 :: 1.6032 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 :: 131.8170 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.04 L 0.01 C Shift Assignments>> CA :: 51.7860 CB :: 19.7470 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2770 HA :: 4.3360 HB1 :: 1.4120 HB2 :: 1.4120 HB3 :: 1.4120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.3720 Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 70 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 74 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 76 #Suspicious: 0 C Shift Results: #Consistent: 297 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 H Shift Results: #Consistent: 504 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 71 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K2 Typing: Suspicious 1.K2 CG = 29.7250(S), Expected = 24.89, Std = 1.1300, ChiSquare = 1.8794e-05 1.K10 HG2 = 0.3900(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.6375e-04 1.L17 Typing: Mistyped 1.L17 CD1 = 18.0000(S), Expected = 24.72, Std = 1.5900, ChiSquare = 2.3744e-05 1.L17 CD2 = 14.8000(S), Expected = 24.05, Std = 1.7000, ChiSquare = 5.2930e-08 1.Q51 C = 182.6270(A), Expected = 176.31, Std = 1.9500, ChiSquare = 1.1974e-03 1.K74 H = 10.9300(S), Expected = 8.19, Std = 0.6000, ChiSquare = 4.9554e-06 1.K75 H = 10.8730(S), Expected = 8.19, Std = 0.6000, ChiSquare = 7.7612e-06