Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.92 M 0.04 C 0.01 C Shift Assignments>> CA :: 51.7030 CB :: 19.6410 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.1560 HB1 :: 1.5270 HB2 :: 1.5270 HB3 :: 1.5270 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.7560 CB :: 64.3250 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7570 HA :: 4.6960 HB2 :: 4.1150 HB3 :: 3.9070 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.8500 Ave N Shift Values>> N :: 116.28(3.52) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 64.7140 CB :: 68.8640 CG2 :: 22.3490 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 :: 8.8540 HA :: 4.2130 HB :: 4.3300 HG21 :: 1.2650 HG22 :: 1.2650 HG23 :: 1.2650 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.5900 Ave N Shift Values>> N :: 115.42(4.75) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.17 E 0.13 R 0.11 H 0.1 Q 0.08 K 0.05 I 0.04 V 0.04 M 0.03 C Shift Assignments>> CA :: 59.2590 CB :: 30.2710 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 :: 8.5350 HA :: 3.9690 HB2 :: 1.8270 HB3 :: 1.8270 HG2 :: 1.9750 HG3 :: 1.9750 HD2 :: 3.7520 HD3 :: 3.5710 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 :: 122.2400 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.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.19 P 0.16 R 0.06 W 0.06 Q 0.02 E 0.01 H 0.01 K 0.01 L 0.01 C Shift Assignments>> CA :: 61.2240 CB :: 27.2030 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1740 HA :: 4.2470 HB2 :: 2.9870 HB3 :: 2.9870 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.4000 Ave N Shift Values>> N :: 120.17(4.64) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.42 R 0.11 C Shift Assignments>> CA :: 59.6840 CB :: 32.8370 CG :: 25.5890 CD :: 29.3020 CE :: 42.0270 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 :: 8.3953 HA :: 4.0680 HB2 :: 2.0350 HB3 :: 2.0350 HG2 :: 1.6200 HG3 :: 1.4720 HD2 :: 1.6390 HD3 :: 1.6390 HE2 :: 2.8220 HE3 :: 2.8220 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 :: 123.0837 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 L 0.25 R 0.04 A 0.01 HN Overlap>> 1.Q33 1.Q33 C Shift Assignments>> CA :: 58.2380 CB :: 41.4540 CG :: 27.1960 CD1 :: 21.5620 CD2 :: 25.5380 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 :: 8.5460 HA :: 3.9740 HB2 :: 1.7210 HB3 :: 1.3410 HG :: 1.3030 HD11 :: 0.2740 HD12 :: 0.2740 HD13 :: 0.2740 HD21 :: 0.6800 HD22 :: 0.6800 HD23 :: 0.6800 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 :: 120.1100 Ave N Shift Values>> N :: 121.86(3.9) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.36 I 0.05 C 0.04 V 0.01 C Shift Assignments>> CA :: 55.6360 CB :: 18.5750 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0760 HA :: 3.8760 HB1 :: 1.4560 HB2 :: 1.4560 HB3 :: 1.4560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.9100 Ave N Shift Values>> N :: 123.23(3.54) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.43 K 0.05 G 0.05 HN Overlap>> 1.D29 1.D29 C Shift Assignments>> CA :: 58.7100 CB :: 29.7240 CG :: 27.1380 CD :: 43.1740 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 :: 7.5560 HA :: 3.9520 HB2 :: 1.8120 HB3 :: 1.8120 HG2 :: 1.5070 HG3 :: 1.5070 HD2 :: 3.0770 HD3 :: 3.0770 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.7600 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.Y11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> CA :: 61.6980 CB :: 38.3080 CD1 :: 133.2180 CD2 :: 133.2180 CE1 :: 118.1520 CE2 :: 118.1520 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 :: 7.5100 HA :: 4.3470 HB2 :: 3.0310 HB3 :: 3.0310 HD1 :: 7.0430 HD2 :: 7.0430 HE1 :: 6.7590 HE2 :: 6.7590 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.1020 Ave N Shift Values>> N :: 120.52(4.2) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.43 R 0.01 HN Overlap>> 1.E28 1.E28 C Shift Assignments>> CA :: 57.5760 CB :: 40.9460 CG :: 27.0220 CD1 :: 25.7590 CD2 :: 22.8600 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 :: 7.8930 HA :: 3.8970 HB2 :: 1.9630 HB3 :: 1.1400 HG :: 1.7260 HD11 :: 0.7170 HD12 :: 0.7170 HD13 :: 0.7170 HD21 :: 0.1460 HD22 :: 0.1460 HD23 :: 0.1460 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.7910 Ave N Shift Values>> N :: 121.86(3.9) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.24 E 0.08 R 0.06 I 0.02 M 0.01 C Shift Assignments>> CA :: 57.6660 CB :: 28.2530 CG :: 34.1430 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 :: 7.9750 HA :: 3.2480 HB2 :: 1.9150 HB3 :: 1.9150 HG2 :: 2.1350 HG3 :: 2.1000 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 :: 117.8660 Ave N Shift Values>> N :: 120.67(3.48) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.16 C 0.11 Y 0.11 F 0.1 L 0.05 E 0.01 M 0.01 C Shift Assignments>> CA :: 54.1350 CB :: 38.6540 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 :: 7.2930 HA :: 4.6370 HB2 :: 3.0220 HB3 :: 3.0220 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 :: 116.1900 Ave N Shift Values>> N :: 120.65(3.86) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.33 R 0.1 C Shift Assignments>> CA :: 54.6890 CB :: 41.9300 CG :: 26.1620 CD1 :: 24.5960 CD2 :: 27.0770 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 :: 7.3010 HA :: 4.3090 HB2 :: 2.0770 HB3 :: 1.2700 HG :: 1.8130 HD11 :: 0.8170 HD12 :: 0.8170 HD13 :: 0.8170 HD21 :: 0.6820 HD22 :: 0.6820 HD23 :: 0.6820 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 :: 119.5300 Ave N Shift Values>> N :: 121.86(3.9) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.25 C 0.23 E 0.11 M 0.04 R 0.02 C Shift Assignments>> CA :: 55.8060 CB :: 29.2320 CG :: 34.2570 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 :: 8.8370 HA :: 4.5160 HB2 :: 2.4040 HB3 :: 2.0500 HG2 :: 2.5720 HG3 :: 2.5720 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 :: 121.8400 Ave N Shift Values>> N :: 120.67(3.48) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 C 0.13 I 0.12 L 0.06 D 0.04 K 0.04 C Shift Assignments>> CA :: 58.7680 CB :: 40.3580 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 :: 8.9510 HA :: 4.3490 HB2 :: 2.7900 HB3 :: 2.7900 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 :: 122.0700 Ave N Shift Values>> N :: 120.65(3.86) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.E63 1.E63 C Shift Assignments>> CA :: 65.9860 CB :: 31.5430 CG1 :: 20.9520 CG2 :: 21.8320 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 :: 8.6130 HA :: 3.8590 HB :: 2.1550 HG11 :: 0.9710 HG12 :: 0.9710 HG13 :: 0.9710 HG21 :: 1.0600 HG22 :: 1.0600 HG23 :: 1.0600 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.1500 Ave N Shift Values>> N :: 121.14(4.54) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.2 F 0.14 D 0.11 Y 0.1 R 0.08 C 0.06 I 0.01 HN Overlap>> 1.L81 1.L81 C Shift Assignments>> CA :: 56.8200 CB :: 41.8580 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 :: 7.3580 HA :: 4.7060 HB2 :: 2.9110 HB3 :: 2.7170 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.6000 Ave N Shift Values>> N :: 120.65(3.86) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 C Shift Assignments>> CA :: 58.1150 CB :: 40.9190 CG :: 27.0340 CD1 :: 23.6200 CD2 :: 23.6200 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 :: 8.6350 HA :: 4.1470 HB2 :: 2.0780 HB3 :: 1.4570 HG :: 1.5540 HD11 :: 0.8520 HD12 :: 0.8520 HD13 :: 0.8520 HD21 :: 0.8520 HD22 :: 0.8520 HD23 :: 0.8520 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 :: 123.0200 Ave N Shift Values>> N :: 121.86(3.9) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 V 0.23 W 0.09 K 0.09 R 0.06 M 0.05 H 0.05 E 0.04 P 0.04 Q 0.02 C Shift Assignments>> CA :: 60.3400 CB :: 32.2910 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 :: 7.9140 HA :: 4.0320 HB2 :: 2.0100 HB3 :: 2.0100 HG2 :: 1.6790 HG3 :: 1.6790 HD2 :: 1.6790 HD3 :: 1.6790 HE2 :: 2.9970 HE3 :: 2.9970 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 :: 119.1200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 V 0.24 K 0.11 Q 0.09 M 0.06 W 0.04 R 0.03 H 0.02 E 0.01 I 0.01 P 0.01 C Shift Assignments>> CA :: 60.1790 CB :: 33.6150 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 :: 7.7150 HA :: 4.1800 HB2 :: 2.1590 HB3 :: 1.9870 HG2 :: 1.5950 HG3 :: 1.5950 HD2 :: 1.8630 HD3 :: 1.8630 HE2 :: 3.0010 HE3 :: 3.0010 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 :: 118.6600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.4 C 0.17 C Shift Assignments>> CA :: 61.3900 CB :: 40.4530 CE1 :: 131.8820 CE2 :: 131.8820 CZ :: 128.9500 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 :: 9.1480 HA :: 3.9710 HB2 :: 3.6540 HB3 :: 3.1430 HE1 :: 6.9670 HE2 :: 6.9670 HZ :: 6.6040 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 :: 123.3600 Ave N Shift Values>> N :: 120.45(4.18) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.37 C 0.29 P 0.07 K 0.06 W 0.04 Q 0.03 M 0.03 R 0.02 H 0.01 I 0.01 E 0.01 C Shift Assignments>> CA :: 61.2150 CB :: 33.3070 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 :: 8.7500 HA :: 3.7750 HB2 :: 2.0400 HB3 :: 1.7740 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 :: 117.6600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.31 Q 0.08 K 0.02 C Shift Assignments>> CA :: 59.2610 CB :: 32.2760 CG :: 31.7530 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 :: 8.0050 HA :: 3.9550 HB2 :: 2.1180 HB3 :: 2.1180 HG2 :: 2.6370 HG3 :: 2.3970 HE1 :: 2.0930 HE2 :: 2.0930 HE3 :: 2.0930 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.1400 Ave N Shift Values>> N :: 120.09(3.57) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.34 H 0.27 C Shift Assignments>> CA :: 59.2080 CB :: 29.5720 CD2 :: 120.0100 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.7790 HA :: 4.3210 HB2 :: 3.1590 HB3 :: 3.1590 HD2 :: 7.2260 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 :: 114.6100 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 G 0.04 R 0.01 C Shift Assignments>> CA :: 57.7460 CB :: 42.9060 CG :: 26.6250 CD1 :: 24.3140 CD2 :: 24.3140 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 :: 7.9540 HA :: 4.0010 HB2 :: 1.9660 HB3 :: 1.4850 HG :: 0.9690 HD11 :: 0.7350 HD12 :: 0.7350 HD13 :: 0.7350 HD21 :: 0.7350 HD22 :: 0.7350 HD23 :: 0.7350 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 :: 119.4600 Ave N Shift Values>> N :: 121.86(3.9) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.25 K 0.22 E 0.16 R 0.03 I 0.02 M 0.01 HN Overlap>> 1.L12 1.L12 C Shift Assignments>> CA :: 57.2400 CB :: 28.5010 CG :: 34.6390 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 :: 7.8700 HA :: 4.3030 HB2 :: 2.0410 HB3 :: 2.0410 HG2 :: 2.5920 HG3 :: 2.3230 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 :: 116.8100 Ave N Shift Values>> N :: 120.67(3.48) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.17 C 0.08 F 0.04 Y 0.04 L 0.04 HN Overlap>> 1.R10 1.R10 C Shift Assignments>> CA :: 52.1270 CB :: 38.9300 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 :: 7.5480 HA :: 4.8680 HB2 :: 2.8560 HB3 :: 2.6330 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 :: 116.7320 Ave N Shift Values>> N :: 120.65(3.86) 1.Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> CA :: 58.7500 CB :: 39.0490 CD1 :: 133.4660 CD2 :: 133.4660 CE1 :: 118.2750 CE2 :: 118.2750 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 :: 6.8370 HA :: 4.3340 HB2 :: 3.1640 HB3 :: 2.6520 HD1 :: 6.9600 HD2 :: 6.9600 HE1 :: 6.4830 HE2 :: 6.4830 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 :: 125.4600 Ave N Shift Values>> N :: 120.52(4.2) 1.P31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 63.3220 CB :: 31.3290 CG :: 27.5460 CD :: 50.7450 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 :: 4.5330 HB2 :: 2.1560 HB3 :: 1.9660 HG2 :: 1.9660 HG3 :: 1.9660 HD2 :: 3.7500 HD3 :: 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.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.23 K 0.22 E 0.13 M 0.09 R 0.01 HN Overlap>> 1.L8 1.L8 C Shift Assignments>> CA :: 56.0120 CB :: 29.7300 CG :: 34.2900 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 :: 8.4530 HA :: 4.2870 HB2 :: 2.0060 HB3 :: 2.0060 HG2 :: 2.2730 HG3 :: 2.2730 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 :: 120.0600 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 M 0.14 K 0.14 R 0.13 H 0.11 W 0.11 E 0.09 Q 0.05 V 0.02 C Shift Assignments>> CA :: 57.2480 CB :: 31.8370 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 :: 8.3760 HA :: 4.1270 HB2 :: 1.8440 HB3 :: 1.8440 HG2 :: 1.2740 HG3 :: 1.2740 HD2 :: 1.4780 HD3 :: 1.4780 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.0200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G35 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>> CA :: 45.9990 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6300 HA2 :: 3.7680 HA3 :: 3.7680 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.3700 Ave N Shift Values>> N :: 109.67(3.87) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.14 R 0.11 H 0.11 Q 0.1 K 0.09 M 0.03 I 0.03 V 0.01 C Shift Assignments>> CA :: 58.4920 CB :: 29.9190 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.8550 HA :: 4.6840 HB2 :: 2.8050 HB3 :: 2.6000 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 :: 117.8500 Ave N Shift Values>> N :: 120.17(4.64) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.42 A 0.01 C Shift Assignments>> CA :: 58.2430 CB :: 39.3280 CG1 :: 26.8600 CG2 :: 17.3150 CD1 :: 12.9320 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 :: 9.3620 HA :: 4.6040 HB :: 1.8900 HG12 :: 1.5120 HG13 :: 1.1990 HG21 :: 1.0450 HG22 :: 1.0450 HG23 :: 1.0450 HD11 :: 0.8980 HD12 :: 0.8980 HD13 :: 0.8980 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.5400 Ave N Shift Values>> N :: 121.46(4.28) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.33 R 0.05 K 0.04 Q 0.01 I 0.01 C Shift Assignments>> CA :: 62.2450 CB :: 32.4600 CG :: 27.7530 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 :: 4.3500 HB2 :: 2.2610 HB3 :: 1.8570 HG2 :: 1.9630 HG3 :: 1.9630 HD2 :: 3.8440 HD3 :: 3.7140 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.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.44 R 0.09 C Shift Assignments>> CA :: 52.3530 CB :: 41.3780 CG :: 29.0200 CD1 :: 25.6340 CD2 :: 25.3740 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 :: 7.5030 HA :: 3.8900 HB2 :: 1.2280 HB3 :: 1.1220 HG :: 1.3470 HD11 :: 0.6960 HD12 :: 0.6960 HD13 :: 0.6960 HD21 :: 0.5800 HD22 :: 0.5800 HD23 :: 0.5800 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 :: 120.9500 Ave N Shift Values>> N :: 121.86(3.9) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> CA :: 62.3010 CB :: 32.2480 CG :: 27.2600 CD :: 50.7800 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 :: 4.3500 HB2 :: 2.2960 HB3 :: 1.9580 HG2 :: 1.8490 HG3 :: 1.8490 HD2 :: 3.8440 HD3 :: 3.7140 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.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.39 G 0.07 K 0.02 C Shift Assignments>> CA :: 60.7040 CB :: 30.2810 CG :: 27.1090 CD :: 43.2290 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 :: 8.9970 HA :: 3.8280 HB2 :: 1.7830 HB3 :: 1.7830 HG2 :: 1.5460 HG3 :: 1.5460 HD2 :: 3.1600 HD3 :: 3.1600 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 :: 127.0300 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.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.09 L 0.04 P 0.03 A 0.03 C Shift Assignments>> CA :: 47.5050 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8200 HA2 :: 3.7290 HA3 :: 3.7290 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.7700 Ave N Shift Values>> N :: 109.67(3.87) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.22 Q 0.2 K 0.16 M 0.05 I 0.03 C Shift Assignments>> CA :: 58.6970 CB :: 29.8200 CG :: 34.7830 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 :: 7.7240 HA :: 4.0140 HB2 :: 2.0430 HB3 :: 1.7630 HG2 :: 2.3990 HG3 :: 2.3990 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 :: 118.0700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 67.7810 CB :: 67.7810 CG2 :: 22.1870 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 :: 7.6410 HA :: 4.2200 HB :: 4.2200 HG21 :: 1.2750 HG22 :: 1.2750 HG23 :: 1.2750 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.6700 Ave N Shift Values>> N :: 115.42(4.75) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 I 0.18 K 0.07 Q 0.04 M 0.01 C Shift Assignments>> CA :: 59.8290 CB :: 29.3250 CG :: 36.0400 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 :: 8.4120 HA :: 3.7500 HB2 :: 2.0530 HB3 :: 1.8270 HG2 :: 2.3790 HG3 :: 2.3790 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 :: 119.3400 Ave N Shift Values>> N :: 120.67(3.48) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 M 0.18 Q 0.18 C 0.18 R 0.07 H 0.06 W 0.05 E 0.03 V 0.02 C Shift Assignments>> CA :: 56.8370 CB :: 33.2810 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 :: 7.2890 HA :: 4.1720 HB2 :: 1.7960 HB3 :: 1.7960 HE2 :: 2.9910 HE3 :: 2.9910 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.7000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.09 C 0.02 L 0.01 C Shift Assignments>> CA :: 53.1010 CB :: 19.6760 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.0720 HA :: 4.2870 HB1 :: 1.3900 HB2 :: 1.3900 HB3 :: 1.3900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.8800 Ave N Shift Values>> N :: 123.23(3.54) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.26 L 0.07 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> CA :: 52.0460 CB :: 39.7030 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 :: 8.6540 HA :: 4.6630 HB2 :: 3.2210 HB3 :: 2.8720 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.4400 Ave N Shift Values>> N :: 120.65(3.86) 1.H49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 W 0.39 H 0.2 C Shift Assignments>> CA :: 60.2760 CB :: 28.7410 CD2 :: 120.7820 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 :: 8.3160 HA :: 3.9720 HB2 :: 3.2810 HB3 :: 3.0390 HD2 :: 7.4170 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 :: 112.5400 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> CA :: 65.8230 CB :: 31.8030 CG1 :: 20.9510 CG2 :: 22.2540 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 :: 7.6100 HA :: 3.6770 HB :: 2.0170 HG11 :: 0.8350 HG12 :: 0.8350 HG13 :: 0.8350 HG21 :: 0.7720 HG22 :: 0.7720 HG23 :: 0.7720 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.4600 Ave N Shift Values>> N :: 121.14(4.54) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.25 C 0.13 D 0.13 L 0.08 N 0.07 I 0.04 C Shift Assignments>> CA :: 56.5920 CB :: 39.4150 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 :: 8.4900 HA :: 4.4350 HB2 :: 2.7050 HB3 :: 2.7050 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.4300 Ave N Shift Values>> N :: 120.65(3.86) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.28 C Shift Assignments>> CA :: 57.6770 CB :: 41.7080 CD1 :: 23.9060 CD2 :: 23.9060 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 :: 8.6490 HA :: 3.9670 HB2 :: 1.7250 HB3 :: 1.4790 HD11 :: 0.9080 HD12 :: 0.9080 HD13 :: 0.9080 HD21 :: 0.9080 HD22 :: 0.9080 HD23 :: 0.9080 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 :: 121.0300 Ave N Shift Values>> N :: 121.86(3.9) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.3 I 0.05 C 0.03 C Shift Assignments>> CA :: 55.5980 CB :: 18.0940 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4230 HA :: 3.9350 HB1 :: 1.4470 HB2 :: 1.4470 HB3 :: 1.4470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4400 Ave N Shift Values>> N :: 123.23(3.54) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 66.8640 CB :: 68.8680 CG2 :: 21.9900 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 :: 7.6830 HA :: 3.7120 HB :: 4.3530 HG21 :: 1.2090 HG22 :: 1.2090 HG23 :: 1.2090 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.2100 Ave N Shift Values>> N :: 115.42(4.75) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.36 G 0.06 C Shift Assignments>> CA :: 58.4030 CB :: 43.0380 CD1 :: 25.1290 CD2 :: 23.6170 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3140 HA :: 4.1740 HB2 :: 1.8300 HB3 :: 1.6090 HD11 :: 0.7910 HD12 :: 0.7910 HD13 :: 0.7910 HD21 :: 0.7820 HD22 :: 0.7820 HD23 :: 0.7820 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 :: 122.8000 Ave N Shift Values>> N :: 121.86(3.9) 1.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 M 0.15 C Shift Assignments>> CA :: 60.8490 CB :: 34.6680 CG :: 33.7000 CE :: 17.6000 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 :: 8.3790 HA :: 3.8310 HB2 :: 2.2690 HB3 :: 2.0990 HG2 :: 2.9090 HG3 :: 2.9090 HE1 :: 2.0610 HE2 :: 2.0610 HE3 :: 2.0610 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 :: 115.7900 Ave N Shift Values>> N :: 120.09(3.57) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 HN Overlap>> 1.A69 1.A69 C Shift Assignments>> CA :: 64.8500 CB :: 38.3520 CG1 :: 30.2630 CG2 :: 17.7400 CD1 :: 13.7900 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 :: 8.0070 HA :: 3.4370 HB :: 1.8630 HG12 :: 1.7790 HG13 :: 0.7870 HG21 :: 0.9030 HG22 :: 0.9030 HG23 :: 0.9030 HD11 :: 0.8790 HD12 :: 0.8790 HD13 :: 0.8790 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 :: 120.3700 Ave N Shift Values>> N :: 121.46(4.28) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.21 F 0.18 E 0.1 N 0.08 I 0.06 D 0.04 M 0.03 L 0.02 C Shift Assignments>> CA :: 56.6620 CB :: 37.9100 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 :: 9.2710 HA :: 4.3470 HB2 :: 3.0970 HB3 :: 2.7230 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 :: 122.5690 Ave N Shift Values>> N :: 120.65(3.86) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.23 C Shift Assignments>> CA :: 61.3760 CB :: 40.5300 CD1 :: 131.8660 CD2 :: 131.8660 CE1 :: 130.0380 CE2 :: 130.0380 CZ :: 128.4740 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 :: 8.0250 HA :: 4.2240 HB2 :: 2.9710 HB3 :: 2.8440 HD1 :: 7.1500 HD2 :: 7.1500 HE1 :: 7.1660 HE2 :: 7.1660 HZ :: 6.6780 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 :: 114.3400 Ave N Shift Values>> N :: 120.45(4.18) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.24 D 0.16 K 0.09 F 0.05 C 0.04 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> CA :: 54.6140 CB :: 42.9600 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 :: 7.6010 HA :: 4.1320 HB2 :: 2.7670 HB3 :: 2.5280 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 :: 112.8300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.7420 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6260 HA2 :: 3.9880 HA3 :: 3.9880 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.8400 Ave N Shift Values>> N :: 109.67(3.87) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.31 E 0.17 K 0.01 M 0.01 C Shift Assignments>> CA :: 61.7390 CB :: 30.2480 CG :: 36.6300 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 :: 8.8410 HA :: 3.9320 HB2 :: 2.1640 HB3 :: 2.1640 HG2 :: 2.5600 HG3 :: 2.3580 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 :: 117.9900 Ave N Shift Values>> N :: 120.67(3.48) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.18 K 0.12 E 0.11 Q 0.1 R 0.01 HN Overlap>> 1.V18 1.V18 C Shift Assignments>> CA :: 60.7520 CB :: 28.3240 CG :: 34.8700 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 :: 8.5350 HA :: 4.0280 HB2 :: 2.1340 HB3 :: 2.1340 HG2 :: 2.4720 HG3 :: 2.4720 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.0900 Ave N Shift Values>> N :: 120.67(3.48) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.35 R 0.15 I 0.01 C Shift Assignments>> CA :: 59.1840 CB :: 31.7580 CE :: 41.9000 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 :: 9.1070 HA :: 4.0820 HB2 :: 2.0330 HB3 :: 1.7900 HG2 :: 1.4660 HG3 :: 1.4660 HD2 :: 1.6280 HD3 :: 1.6280 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 :: 119.7200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.42 M 0.33 C 0.09 V 0.04 I 0.04 L 0.03 T 0.01 C Shift Assignments>> CA :: 55.9340 CB :: 19.5890 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1790 HA :: 3.9180 HB1 :: 1.3640 HB2 :: 1.3640 HB3 :: 1.3640 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.0300 Ave N Shift Values>> N :: 123.23(3.54) 1.W66 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.N77 1.N77 C Shift Assignments>> CA :: 61.3020 CB :: 28.9550 CD1 :: 126.7890 CE3 :: 120.7820 CZ2 :: 110.2390(S) CH2 :: 119.8290 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 :: 7.9000 HA :: 3.9740 HB2 :: 3.3440 HB3 :: 3.3440 HD1 :: 7.1440 HE3 :: 7.4170 HZ2 :: 7.5130 HH2 :: 7.4130 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.2100 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.3 I 0.05 C 0.03 C Shift Assignments>> CA :: 55.6120 CB :: 18.1060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7540 HA :: 4.0310 HB1 :: 1.5390 HB2 :: 1.5390 HB3 :: 1.5390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.6400 Ave N Shift Values>> N :: 123.23(3.54) 1.M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.28 Q 0.13 E 0.12 K 0.01 C Shift Assignments>> CA :: 58.6470 CB :: 34.3690 CG :: 31.9500 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 :: 8.5000 HA :: 4.2620 HB2 :: 1.8690 HB3 :: 1.5520 HG2 :: 2.4100 HG3 :: 2.4400 HE1 :: 1.9630 HE2 :: 1.9630 HE3 :: 1.9630 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.2600 Ave N Shift Values>> N :: 120.09(3.57) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.25 I 0.05 C 0.02 HN Overlap>> 1.I57 1.I57 C Shift Assignments>> CA :: 55.6290 CB :: 17.7130 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9220 HA :: 3.5730 HB1 :: 1.0620 HB2 :: 1.0620 HB3 :: 1.0620 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.3580 Ave N Shift Values>> N :: 123.23(3.54) 1.V70 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>> CA :: 67.9340 CB :: 32.2880 CG1 :: 23.1600 CG2 :: 23.1600 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.2020 HA :: 3.4030 HB :: 2.1320 HG11 :: 0.9160 HG12 :: 0.9160 HG13 :: 0.9160 HG21 :: 0.9160 HG22 :: 0.9160 HG23 :: 0.9160 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.9160 Ave N Shift Values>> N :: 121.14(4.54) 1.W71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 C 0.38 C Shift Assignments>> CA :: 62.2620 CB :: 29.2420 CD1 :: 126.9390 CE3 :: 123.7320 CZ2 :: 114.5610 CZ3 :: 121.9970 CH2 :: 124.6160 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 :: 7.8060 HA :: 4.1370 HB2 :: 3.6710 HB3 :: 3.3600 HD1 :: 7.1850 HE3 :: 6.9470 HZ2 :: 7.3610 HZ3 :: 7.0050 HH2 :: 7.0950 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.4000 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 I 0.07 C Shift Assignments>> CA :: 65.8630 CB :: 36.6700 CG1 :: 30.1900 CG2 :: 21.9900 CD1 :: 13.7900 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 :: 8.6540 HA :: 3.1220 HB :: 1.3670 HG12 :: 2.4890 HG13 :: 0.5250 HG21 :: 0.3990 HG22 :: 0.3990 HG23 :: 0.3990 HD11 :: 0.2020 HD12 :: 0.2020 HD13 :: 0.2020 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.4300 Ave N Shift Values>> N :: 121.46(4.28) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.21 I 0.19 F 0.14 E 0.14 M 0.02 C Shift Assignments>> CA :: 59.1540 CB :: 37.3210 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 :: 9.0150 HA :: 4.5140 HB2 :: 3.4700 HB3 :: 3.2900 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 :: 118.7600 Ave N Shift Values>> N :: 120.45(4.18) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.26 I 0.03 C 0.01 C Shift Assignments>> CA :: 55.1620 CB :: 17.1510 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3630 HA :: 3.6610 HB1 :: 0.9000 HB2 :: 0.9000 HB3 :: 0.9000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.1900 Ave N Shift Values>> N :: 123.23(3.54) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.4 I 0.02 C 0.01 C Shift Assignments>> CA :: 54.6260 CB :: 17.5770 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6400 HA :: 3.7350 HB1 :: 0.5890 HB2 :: 0.5890 HB3 :: 0.5890 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.9200 Ave N Shift Values>> N :: 123.23(3.54) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.49 C Shift Assignments>> CA :: 60.6780 CB :: 37.3920 CG1 :: 25.5000 CG2 :: 17.3100 CD1 :: 15.5500 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 :: 7.9010 HA :: 4.4960 HB :: 2.3350 HG12 :: 1.8990 HG13 :: 1.4160 HG21 :: 0.7330 HG22 :: 0.7330 HG23 :: 0.7330 HD11 :: 1.0950 HD12 :: 1.0950 HD13 :: 1.0950 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 :: 108.8500 Ave N Shift Values>> N :: 121.46(4.28) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.2 N 0.19 Y 0.12 M 0.09 F 0.08 D 0.02 K 0.02 I 0.01 HN Overlap>> 1.W66 1.W66 C Shift Assignments>> CA :: 55.0700 CB :: 36.9180 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 :: 7.8650 HA :: 4.2580 HB2 :: 3.2770 HB3 :: 2.7700 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 :: 116.2320 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 G 0.3 C 0.17 R 0.06 K 0.01 C Shift Assignments>> CA :: 50.9230 CB :: 26.6170 CG :: 27.3910 CD :: 43.1790 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 :: 8.3250 HA :: 4.9680 HB2 :: 1.7300 HB3 :: 1.7300 HG2 :: 1.9490 HG3 :: 1.9490 HD2 :: 3.0930 HD3 :: 3.0930 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.8100 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.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.16 E 0.13 K 0.1 H 0.09 R 0.09 Q 0.09 I 0.07 M 0.02 V 0.02 C Shift Assignments>> CA :: 59.1940 CB :: 29.5580 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 :: 8.1710 HA :: 3.9110 HB2 :: 1.8950 HB3 :: 1.8950 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 :: 122.2700 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.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.2 C 0.18 N 0.13 D 0.08 E 0.05 I 0.04 L 0.03 M 0.02 C Shift Assignments>> CA :: 56.1650 CB :: 38.3720 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 :: 9.1240 HA :: 3.8590 HB2 :: 2.4850 HB3 :: 2.8710 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 :: 117.1800 Ave N Shift Values>> N :: 120.65(3.86) 1.L81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 L 0.34 A 0.05 HN Overlap>> 1.D19 1.D19 C Shift Assignments>> CA :: 56.7630 CB :: 40.2890 CG :: 26.6400 CD1 :: 21.9900 CD2 :: 26.0400 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 :: 7.2670 HA :: 3.8390 HB2 :: 1.0330 HB3 :: 0.1440(S) HG :: 1.3580 HD11 :: 0.5880 HD12 :: 0.5880 HD13 :: 0.5880 HD21 :: 0.3740 HD22 :: 0.3740 HD23 :: 0.3740 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 :: 120.5400 Ave N Shift Values>> N :: 121.86(3.9) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> CA :: 62.2390 CB :: 38.6910 CD1 :: 133.1520 CD2 :: 133.1520 CE1 :: 118.1970 CE2 :: 118.1970 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 :: 8.0410 HA :: 4.1590 HB2 :: 3.2250 HB3 :: 2.9710 HD1 :: 7.0410 HD2 :: 7.0410 HE1 :: 6.7760 HE2 :: 6.7760 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.1400 Ave N Shift Values>> N :: 120.52(4.2) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.19 Q 0.19 E 0.19 I 0.05 M 0.01 R 0.01 C Shift Assignments>> CA :: 59.0800 CB :: 29.1370 CG :: 34.7760 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 :: 8.1940 HA :: 3.6960 HB2 :: 2.0710 HB3 :: 2.0710 HG2 :: 2.6080 HG3 :: 2.6080 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 :: 115.6200 Ave N Shift Values>> N :: 120.67(3.48) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.44 R 0.03 C Shift Assignments>> CA :: 59.7640 CB :: 33.3740 CG :: 24.9530 CE :: 41.9340 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 :: 7.4460 HA :: 3.9170 HB2 :: 2.0950 HB3 :: 1.6690 HG2 :: 1.3890 HG3 :: 1.3890 HD2 :: 1.5150 HD3 :: 1.5150 HE2 :: 2.9230 HE3 :: 2.9230 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 :: 118.0800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.43 I 0.03 C 0.03 C Shift Assignments>> CA :: 55.1100 CB :: 18.3820 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6510 HA :: 4.1230 HB1 :: 1.1770 HB2 :: 1.1770 HB3 :: 1.1770 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4700 Ave N Shift Values>> N :: 123.23(3.54) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.29 R 0.15 Q 0.08 M 0.05 C Shift Assignments>> CA :: 59.1690 CB :: 31.7910 CD :: 28.7510 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 :: 8.0590 HA :: 4.0100 HB2 :: 1.5930 HB3 :: 1.5930 HG2 :: 1.2630 HG3 :: 1.2630 HD2 :: 1.5930 HD3 :: 1.5930 HE2 :: 2.8130 HE3 :: 2.8130 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 :: 117.6100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.4 K 0.09 G 0.05 C Shift Assignments>> CA :: 57.7000 CB :: 30.3160 CD :: 43.2330 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 :: 7.1960 HA :: 4.1650 HB2 :: 1.9050 HB3 :: 1.9050 HD2 :: 3.1140 HD3 :: 3.1140 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.9000 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.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.25 R 0.13 K 0.12 F 0.05 C 0.04 N 0.04 Y 0.03 G 0.01 C Shift Assignments>> CA :: 53.6690 CB :: 42.4190 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 :: 7.5070 HA :: 4.6940 HB2 :: 2.8170 HB3 :: 2.6800 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.2900 Ave N Shift Values>> N :: 120.65(3.86) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.22 R 0.14 M 0.05 E 0.01 C Shift Assignments>> CA :: 54.4350 CB :: 28.2210 CG :: 33.1200 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 :: 7.3370 HA :: 3.4040 HB2 :: 1.9850 HB3 :: 1.9040 HG2 :: 2.4440 HG3 :: 2.3600 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 :: 119.9700 Ave N Shift Values>> N :: 120.67(3.48) 1.P90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 63.2560 CB :: 31.7930 CG :: 27.2600 CD :: 50.1000 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 :: 4.2060 HB2 :: 2.0760 HB3 :: 1.8160 HG2 :: 1.7480 HG3 :: 1.6590 HD2 :: 2.9660 HD3 :: 2.6260 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.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.48 C Shift Assignments>> CA :: 57.3730 CB :: 33.3490 CG :: 24.9850 CD :: 29.0820 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 :: 8.0110 HA :: 4.2240 HB2 :: 1.7850 HB3 :: 1.7850 HG2 :: 1.4160 HG3 :: 1.4160 HD2 :: 1.6290 HD3 :: 1.6290 HE2 :: 2.9540 HE3 :: 2.9540 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 :: 124.7010 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 89 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 88 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 91 #Suspicious: 0 C Shift Results: #Consistent: 288 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 613 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 84 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.W66 Typing: Suspicious 1.W66 CZ2 = 110.2390(S), Expected = 114.26, Std = 1.1200, ChiSquare = 3.3045e-04 1.L81 HB3 = 0.1440(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.3225e-04