Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.49 C 0.34 A 0.15 C Shift Assignments>> CA :: 55.1400 CB :: 34.1400 CG :: 31.1000 CE :: 16.8000 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 :: 3.9500 HB2 :: 2.0600 HB3 :: 2.0600 HG2 :: 2.5990 HG3 :: 2.5540 HE1 :: 2.0600 HE2 :: 2.0600 HE3 :: 2.0600 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.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.26 L 0.25 K 0.16 F 0.09 Y 0.06 N 0.05 C 0.05 R 0.04 C Shift Assignments>> C :: 176.2060 CA :: 54.7000 CB :: 41.6000 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>> HA :: 4.6200 HB2 :: 2.6500 HB3 :: 2.7000 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) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.21 K 0.15 F 0.14 Y 0.11 C 0.06 N 0.04 R 0.01 I 0.01 C Shift Assignments>> C :: 177.7800 CA :: 55.7500 CB :: 41.1560 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 :: 8.5220 HA :: 4.4740 HB2 :: 2.6530 HB3 :: 2.7060 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 :: 122.6050 Ave N Shift Values>> N :: 120.65(3.86) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.6240 CA :: 63.4800 CB :: 37.7200 CG1 :: 27.0700 CG2 :: 17.1800 CD1 :: 13.3200 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 :: 8.2150 HA :: 3.9100 HB :: 1.6770 HG12 :: 0.9510 HG13 :: 0.9510 HG21 :: 0.5950 HG22 :: 0.5950 HG23 :: 0.5950 HD11 :: 0.6860 HD12 :: 0.6860 HD13 :: 0.6860 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 :: 119.5430 Ave N Shift Values>> N :: 121.46(4.28) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.41 C Shift Assignments>> C :: 177.0120 CA :: 59.8000 CB :: 37.7300 CD1 :: 132.5400 CE1 :: 118.6300 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 :: 7.6880 HA :: 4.4100 HB2 :: 3.0700 HB3 :: 2.9370 HD1 :: 6.7830 HE1 :: 7.0350 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 :: 121.0220 Ave N Shift Values>> N :: 120.52(4.2) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.06 C Shift Assignments>> C :: 178.8590 CA :: 59.3300 CB :: 32.3170 CG :: 25.1700 CD :: 29.2670 CE :: 41.8500 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 :: 7.9300 HA :: 3.9700 HB2 :: 1.8500 HB3 :: 1.8500 HG2 :: 1.3100 HG3 :: 1.6000 HD2 :: 1.7160 HD3 :: 1.7280 HE2 :: 2.9900 HE3 :: 2.9900 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 :: 121.0380 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.45 C 0.01 I 0.01 C Shift Assignments>> C :: 179.6730 CA :: 54.4000 CB :: 17.9700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9290 HA :: 4.1580 HB1 :: 1.4000 HB2 :: 1.4000 HB3 :: 1.4000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.3470 Ave N Shift Values>> N :: 123.23(3.54) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.4 C 0.02 I 0.01 C Shift Assignments>> C :: 180.7790 CA :: 54.5000 CB :: 18.3800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5070 HA :: 4.1520 HB1 :: 1.5300 HB2 :: 1.5300 HB3 :: 1.5300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9050 Ave N Shift Values>> N :: 123.23(3.54) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 178.7110 CA :: 65.9420 CB :: 31.7900 CG1 :: 21.9500 CG2 :: 23.2500 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 :: 8.0640 HA :: 3.5960 HB :: 2.2000 HG11 :: 0.9200 HG12 :: 0.9200 HG13 :: 0.9200 HG21 :: 0.9700 HG22 :: 0.9700 HG23 :: 0.9700 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 :: 118.7950 Ave N Shift Values>> N :: 121.14(4.54) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.11 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 177.3440 CA :: 58.1600 CB :: 29.4500 CG :: 36.5000 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 :: 7.8520 HA :: 4.1150 HB2 :: 2.1370 HB3 :: 2.1370 HG2 :: 2.4470 HG3 :: 2.3200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.8580 Ave N Shift Values>> N :: 120.67(3.48) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.27 C 0.23 E 0.08 M 0.05 R 0.02 C Shift Assignments>> C :: 176.8390 CA :: 55.5500 CB :: 29.3000 CG :: 34.0100 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 :: 7.3850 HA :: 4.2900 HB2 :: 2.3200 HB3 :: 2.0500 HG2 :: 2.4750 HG3 :: 2.4750 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 :: 115.0020 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.26 R 0.21 G 0.06 A 0.03 C Shift Assignments>> C :: 178.0150 CA :: 54.9000 CB :: 43.1600 CG :: 26.3600 CD1 :: 27.3000 CD2 :: 23.1500 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 :: 7.3900 HA :: 4.5240 HB2 :: 1.4470 HB3 :: 1.9300 HG :: 2.1440 HD11 :: 0.9670 HD12 :: 0.9670 HD13 :: 0.9670 HD21 :: 0.9180 HD22 :: 0.9180 HD23 :: 0.9180 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 :: 120.7450 Ave N Shift Values>> N :: 121.86(3.9) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 175.6260 CA :: 60.6000 CB :: 70.9200 CG2 :: 21.8400 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 :: 8.8610 HA :: 4.4320 HB :: 4.8130 HG21 :: 1.3890 HG22 :: 1.3890 HG23 :: 1.3890 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 :: 113.7550 Ave N Shift Values>> N :: 115.42(4.75) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 I 0.19 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.7290 CA :: 59.7000 CB :: 29.3000 CG :: 36.1750 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 :: 8.9940 HA :: 3.9600 HB2 :: 2.0500 HB3 :: 2.0500 HG2 :: 2.3860 HG3 :: 2.3470 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 :: 121.7810 Ave N Shift Values>> N :: 120.67(3.48) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.31 E 0.25 K 0.03 HN Overlap>> 1.N18 1.N18 C Shift Assignments>> C :: 179.4860 CA :: 60.1300 CB :: 29.2000 CG :: 36.8500 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 :: 8.5570 HA :: 4.0400 HB2 :: 1.9100 HB3 :: 1.9100 HG2 :: 2.3000 HG3 :: 2.3000 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 :: 117.7610 Ave N Shift Values>> N :: 120.67(3.48) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.23 Q 0.18 K 0.16 M 0.05 I 0.03 HN Overlap>> 1.E59 1.E59 C Shift Assignments>> C :: 178.7640 CA :: 58.6400 CB :: 29.7400 CG :: 34.9100 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 :: 7.8220 HA :: 3.8700 HB2 :: 1.6600 HB3 :: 2.3550 HG2 :: 2.3340 HG3 :: 2.2420 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.2620 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K17 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 R 0.14 C Shift Assignments>> C :: 178.7290 CA :: 61.5500 CB :: 32.1800 CG :: 27.0000 CD :: 37.6760(S) CE :: 41.7200 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 :: 8.5340 HA :: 4.0000 HB2 :: 2.0100 HB3 :: 2.0100 HG2 :: 1.7230 HG3 :: 1.4700 HD2 :: 2.5630(S) HD3 :: 2.5030(S) HE2 :: 2.8750 HE3 :: 2.8750 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 :: 118.9330 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 Y 0.19 N 0.16 F 0.14 E 0.13 D 0.04 M 0.04 I 0.03 L 0.01 HN Overlap>> 1.E15 1.M109 1.E15 1.M109 C Shift Assignments>> C :: 178.7140 CA :: 55.7600 CB :: 37.6600 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 :: 8.5430 HA :: 4.5500 HB2 :: 2.8000 HB3 :: 2.9900 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.7330 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.31 I 0.22 K 0.04 Q 0.01 HN Overlap>> 1.A117 1.A117 C Shift Assignments>> C :: 179.0430 CA :: 59.5220 CB :: 29.3500 CG :: 36.7300 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 :: 8.0300 HA :: 4.1730 HB2 :: 2.0200 HB3 :: 1.9000 HG2 :: 2.1600 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 :: 123.4680 Ave N Shift Values>> N :: 120.67(3.48) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 C 0.31 Y 0.28 C Shift Assignments>> C :: 178.7130 CA :: 59.7600 CB :: 37.8900 CD1 :: 130.8120 CE1 :: 130.8200 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 :: 8.3770 HA :: 4.9100 HB2 :: 3.4640 HB3 :: 3.4640 HD1 :: 7.2500 HE1 :: 7.1870 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.6000 Ave N Shift Values>> N :: 120.45(4.18) 1.K21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 R 0.29 K 0.22 C Shift Assignments>> C :: 177.0040 CA :: 58.4500 CB :: 31.6200 CG :: 24.3000 CD :: 26.9500 CE :: 41.9500 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 :: 8.8840 HA :: 4.0100 HB2 :: 2.0500 HB3 :: 1.7620 HG2 :: 1.1740 HG3 :: 1.1740 HD2 :: 1.4720 HD3 :: 0.4090(S) HE2 :: 2.6400 HE3 :: 2.7100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.3870 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.35 I 0.03 C 0.02 C Shift Assignments>> C :: 180.8020 CA :: 54.9200 CB :: 17.6200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8820 HA :: 4.2000 HB1 :: 1.5700 HB2 :: 1.5700 HB3 :: 1.5700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4210 Ave N Shift Values>> N :: 123.23(3.54) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.39 C 0.03 I 0.02 C Shift Assignments>> C :: 178.6260 CA :: 55.0500 CB :: 18.8400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9690 HA :: 4.0990 HB1 :: 1.8700 HB2 :: 1.8700 HB3 :: 1.8700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.0950 Ave N Shift Values>> N :: 123.23(3.54) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.35 C 0.17 C Shift Assignments>> C :: 176.1030 CA :: 62.3700 CB :: 39.8000 CD1 :: 131.5700 CE1 :: 130.4700 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 :: 8.8360 HA :: 3.4500 HB2 :: 3.1830 HB3 :: 2.8450 HD1 :: 7.1630 HE1 :: 7.5500 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.0020 Ave N Shift Values>> N :: 120.45(4.18) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.13 C 0.12 L 0.1 N 0.04 I 0.04 K 0.01 C Shift Assignments>> C :: 179.0710 CA :: 56.8300 CB :: 39.8800 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 :: 8.6400 HA :: 4.2520 HB2 :: 2.7700 HB3 :: 2.5000 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 :: 116.8390 Ave N Shift Values>> N :: 120.65(3.86) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 178.5600 CA :: 62.7500 CB :: 37.6200 CG1 :: 28.7400 CG2 :: 17.7400 CD1 :: 13.0900 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 :: 7.2810 HA :: 3.7830 HB :: 2.0370 HG12 :: 1.2430 HG13 :: 1.7360 HG21 :: 0.8480 HG22 :: 0.8480 HG23 :: 0.8480 HD11 :: 0.8400 HD12 :: 0.8400 HD13 :: 0.8400 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 :: 119.3300 Ave N Shift Values>> N :: 121.46(4.28) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 Y 0.31 C 0.19 C Shift Assignments>> C :: 178.7540 CA :: 60.1200 CB :: 40.0000 CD1 :: 131.6000 CE1 :: 131.0500 CZ :: 128.4000 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 :: 8.0920 HA :: 4.0100 HB2 :: 3.1800 HB3 :: 2.8200 HD1 :: 7.2290 HE1 :: 7.3200 HZ :: 7.1700 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.9550 Ave N Shift Values>> N :: 120.45(4.18) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 176.3850 CA :: 61.1200 CB :: 31.4100 CG1 :: 21.6800 CG2 :: 18.5300 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 :: 7.4960 HA :: 4.0400 HB :: 1.9830 HG11 :: 0.0340 HG12 :: 0.0340 HG13 :: 0.0340 HG21 :: 0.6280 HG22 :: 0.6280 HG23 :: 0.6280 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 :: 106.2330 Ave N Shift Values>> N :: 121.14(4.54) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.37 C Shift Assignments>> C :: 178.6420 CA :: 57.2300 CB :: 41.3400 CG :: 26.5000 CD1 :: 24.8300 CD2 :: 24.2600 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 :: 7.2550 HA :: 4.0870 HB2 :: 1.5810 HB3 :: 1.7750 HG :: 1.8100 HD11 :: 0.9390 HD12 :: 0.9390 HD13 :: 0.9390 HD21 :: 0.8780 HD22 :: 0.8780 HD23 :: 0.8780 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.6640 Ave N Shift Values>> N :: 121.86(3.9) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.1620 CA :: 45.2450 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8810 HA2 :: 4.1000 HA3 :: 3.7400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.5670 Ave N Shift Values>> N :: 109.67(3.87) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.05 C 0.02 L 0.01 C Shift Assignments>> C :: 179.2370 CA :: 51.9900 CB :: 19.7600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0280 HA :: 4.4510 HB1 :: 1.5090 HB2 :: 1.5090 HB3 :: 1.5090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1750 Ave N Shift Values>> N :: 123.23(3.54) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.13 K 0.05 M 0.02 Q 0.02 C Shift Assignments>> C :: 177.3460 CA :: 58.9200 CB :: 29.7800 CG :: 36.5000 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 :: 9.1440 HA :: 4.0830 HB2 :: 2.0460 HB3 :: 2.0460 HG2 :: 2.3300 HG3 :: 2.3300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.8180 Ave N Shift Values>> N :: 120.67(3.48) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.21 N 0.16 K 0.07 F 0.06 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 177.8100 CA :: 52.9400 CB :: 41.2600 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 :: 8.1720 HA :: 4.7600 HB2 :: 2.9300 HB3 :: 2.6150 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 :: 115.9210 Ave N Shift Values>> N :: 120.65(3.86) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 172.8150 CA :: 46.4500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6220 HA2 :: 3.9800 HA3 :: 3.9000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.6730 Ave N Shift Values>> N :: 109.67(3.87) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 171.9190 CA :: 57.1700 CB :: 66.0000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6110 HA :: 4.9600 HB2 :: 3.4900 HB3 :: 3.6300 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.3630 Ave N Shift Values>> N :: 116.28(3.52) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 175.0430 CA :: 62.6000 CB :: 39.4250 CG1 :: 28.5000 CG2 :: 18.0600 CD1 :: 14.8000 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 :: 8.8630 HA :: 3.7900 HB :: 1.9880 HG12 :: 1.4500 HG13 :: 0.2000 HG21 :: 0.8330 HG22 :: 0.8330 HG23 :: 0.8330 HD11 :: 0.2700 HD12 :: 0.2700 HD13 :: 0.2700 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 :: 119.4570 Ave N Shift Values>> N :: 121.46(4.28) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.65 T 0.34 C Shift Assignments>> C :: 175.8310 CA :: 56.9200 CB :: 67.0500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.5300 HA :: 5.1500 HB2 :: 4.2230 HB3 :: 4.5670 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 :: 126.3670 Ave N Shift Values>> N :: 116.28(3.52) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 177.1460 CA :: 66.4250 CB :: 68.0630 CG2 :: 22.6690 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 :: 8.8690 HA :: 3.7140 HB :: 4.2320 HG21 :: 1.2980 HG22 :: 1.2980 HG23 :: 1.2980 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.6760 Ave N Shift Values>> N :: 115.42(4.75) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.05 C Shift Assignments>> C :: 178.8060 CA :: 59.5130 CB :: 32.1800 CG :: 24.7100 CD :: 29.2750 CE :: 41.8070 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 :: 8.0300 HA :: 4.0400 HB2 :: 1.8400 HB3 :: 1.7200 HG2 :: 1.4710 HG3 :: 1.3000 HE2 :: 3.0040 HE3 :: 3.0040 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 :: 123.2980 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.45 E 0.03 C Shift Assignments>> C :: 178.7000 CA :: 61.0000 CB :: 30.0000 CG :: 38.8000 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 :: 7.6840 HA :: 4.1550 HB2 :: 2.4950 HB3 :: 2.3550 HG2 :: 2.5940 HG3 :: 2.3240 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 :: 119.6630 Ave N Shift Values>> N :: 120.67(3.48) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.36 R 0.16 G 0.02 C Shift Assignments>> C :: 178.5460 CA :: 57.7500 CB :: 42.4500 CG :: 26.8000 CD1 :: 23.2500 CD2 :: 26.7000 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 :: 8.3400 HA :: 4.2050 HB2 :: 1.3200 HB3 :: 1.6800 HG :: 1.6800 HD11 :: 0.6900 HD12 :: 0.6900 HD13 :: 0.6900 HD21 :: 0.7670 HD22 :: 0.7670 HD23 :: 0.7670 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 :: 119.1620 Ave N Shift Values>> N :: 121.86(3.9) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 P 0.21 C 0.1 A 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 174.9540 CA :: 48.0200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4910 HA2 :: 3.5000 HA3 :: 3.9400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.9500 Ave N Shift Values>> N :: 109.67(3.87) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.45 R 0.05 C Shift Assignments>> C :: 179.4750 CA :: 59.8930 CB :: 32.2670 CG :: 25.0550 CD :: 29.3580 CE :: 41.8530 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 :: 7.3210 HA :: 3.9800 HB2 :: 1.9900 HB3 :: 1.9900 HG2 :: 1.3600 HG3 :: 1.6240 HD2 :: 1.7610 HD3 :: 1.7610 HE2 :: 2.9700 HE3 :: 2.9700 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.8460 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.7150 CA :: 66.1800 CB :: 31.6600 CG1 :: 20.8600 CG2 :: 22.9100 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 :: 7.5840 HA :: 3.6500 HB :: 1.7800 HG11 :: 0.5600 HG12 :: 0.5600 HG13 :: 0.5600 HG21 :: 0.4100 HG22 :: 0.4100 HG23 :: 0.4100 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.5210 Ave N Shift Values>> N :: 121.14(4.54) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.33 A 0.01 I 0.01 C Shift Assignments>> C :: 179.0900 CA :: 58.2660 CB :: 30.9700 CG :: 33.4000 CE :: 17.7700 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 :: 8.4250 HA :: 4.1330 HB2 :: 1.5800 HB3 :: 1.5800 HG2 :: 2.4100 HG3 :: 2.4100 HE1 :: 1.7600 HE2 :: 1.7600 HE3 :: 1.7600 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 :: 116.9660 Ave N Shift Values>> N :: 120.09(3.57) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.33 K 0.08 G 0.07 C Shift Assignments>> C :: 181.5380 CA :: 59.2000 CB :: 29.8500 CG :: 28.7000 CD :: 43.3000 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 :: 8.1240 HA :: 4.6330 HB2 :: 1.8700 HB3 :: 1.9400 HG2 :: 1.7640 HG3 :: 1.9190 HD2 :: 3.1450 HD3 :: 3.2900 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 :: 118.6600 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.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.44 C Shift Assignments>> C :: 177.6770 CA :: 58.8600 CB :: 32.5500 CG :: 31.7200 CE :: 16.7500 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.8550 HA :: 4.1850 HB2 :: 2.3800 HB3 :: 2.2640 HG2 :: 2.7300 HG3 :: 2.6100 HE1 :: 2.0100 HE2 :: 2.0100 HE3 :: 2.0100 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 :: 122.4280 Ave N Shift Values>> N :: 120.09(3.57) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.23 A 0.04 R 0.02 C Shift Assignments>> C :: 177.2380 CA :: 54.4400 CB :: 41.5400 CG :: 26.4000 CD1 :: 26.0000 CD2 :: 23.2000 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 :: 7.5100 HA :: 4.3900 HB2 :: 1.9200 HB3 :: 1.8560 HG :: 1.8680 HD11 :: 0.8400 HD12 :: 0.8400 HD13 :: 0.8400 HD21 :: 0.8260 HD22 :: 0.8260 HD23 :: 0.8260 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.6600 Ave N Shift Values>> N :: 121.86(3.9) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.3890 CA :: 45.7200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8510 HA2 :: 4.1920 HA3 :: 3.8080 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.4770 Ave N Shift Values>> N :: 109.67(3.87) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 Q 0.26 C 0.24 K 0.06 E 0.03 HN Overlap>> 1.Q110 1.Q110 C Shift Assignments>> C :: 174.0790 CA :: 53.8940 CB :: 31.1300 CG :: 33.6100 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 :: 8.0560 HA :: 4.5040 HB2 :: 2.1000 HB3 :: 1.6200 HG2 :: 2.1800 HG3 :: 2.1800 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 :: 118.2930 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.16 C 0.08 L 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 51.0200 CB :: 39.0700 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 :: 8.6630 HA :: 5.1550 HB2 :: 2.7620 HB3 :: 2.5160 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 :: 116.6160 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 177.0820 CA :: 62.0800 CB :: 32.0600 CG :: 27.7400 CD :: 49.7800 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 :: 4.7700 HB2 :: 2.1460 HB3 :: 1.8900 HG2 :: 1.8600 HG3 :: 1.7700 HD2 :: 3.2550 HD3 :: 3.5700 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.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.23 S 0.01 C Shift Assignments>> CA :: 60.0200 CB :: 68.1600 CG2 :: 22.0300 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 :: 8.9430 HA :: 4.6150 HB :: 4.8050 HG21 :: 1.3780 HG22 :: 1.3780 HG23 :: 1.3780 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 :: 114.0980 Ave N Shift Values>> N :: 115.42(4.75) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.14 C Shift Assignments>> C :: 179.6270 CA :: 66.1000 CB :: 31.7600 CG :: 28.2600 CD :: 50.3350 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 :: 4.1660 HB2 :: 2.4430 HB3 :: 1.9230 HG2 :: 2.2440 HG3 :: 2.0150 HD2 :: 3.9200 HD3 :: 3.9200 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.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.37 E 0.16 K 0.01 C Shift Assignments>> C :: 179.4970 CA :: 60.4130 CB :: 28.7000 CG :: 37.2500 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 :: 8.7600 HA :: 4.0230 HB2 :: 1.9400 HB3 :: 2.0500 HG2 :: 2.4420 HG3 :: 2.2460 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 :: 117.3450 Ave N Shift Values>> N :: 120.67(3.48) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.26 I 0.22 M 0.01 K 0.01 C Shift Assignments>> C :: 179.7200 CA :: 59.1670 CB :: 30.0000 CG :: 37.6600 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 :: 7.7980 HA :: 3.9650 HB2 :: 1.8000 HB3 :: 2.3730 HG2 :: 2.2400 HG3 :: 2.3260 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.6090 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 0.5 C 0.35 R 0.11 G 0.02 HN Overlap>> 1.V82 1.V82 C Shift Assignments>> C :: 178.2850 CA :: 57.6000 CB :: 42.6300 CG :: 27.0000 CD1 :: 25.9000 CD2 :: 23.7000 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 :: 8.1270 HA :: 4.0200 HB2 :: 1.1150 HB3 :: 2.1000 HG :: 1.7000 HD11 :: 0.8540 HD12 :: 0.8540 HD13 :: 0.8540 HD21 :: 0.6900 HD22 :: 0.6900 HD23 :: 0.6900 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.4170 Ave N Shift Values>> N :: 121.86(3.9) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.26 Q 0.26 R 0.09 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 177.7900 CA :: 58.1100 CB :: 28.3800 CG :: 33.5000 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 :: 7.9470 HA :: 3.6960 HB2 :: 2.1500 HB3 :: 2.1500 HG2 :: 2.4900 HG3 :: 2.3770 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 :: 117.9870 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.34 I 0.17 K 0.04 Q 0.02 M 0.01 HN Overlap>> 1.Q16 1.Q16 C Shift Assignments>> C :: 178.7950 CA :: 59.5080 CB :: 29.6970 CG :: 36.5000 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 :: 7.8990 HA :: 4.0450 HB2 :: 2.1850 HB3 :: 2.0570 HG2 :: 2.4400 HG3 :: 2.2400 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 :: 119.2190 Ave N Shift Values>> N :: 120.67(3.48) 1.M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 M 0.37 HN Overlap>> 1.D75 1.D75 C Shift Assignments>> C :: 178.4690 CA :: 59.4320 CB :: 33.7800 CG :: 32.9000 CE :: 17.2500 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.7500 HA :: 4.0050 HB2 :: 1.9530 HB3 :: 2.2700 HG2 :: 2.7780 HG3 :: 2.7780 HE1 :: 1.7970 HE2 :: 1.7970 HE3 :: 1.7970 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 :: 117.7020 Ave N Shift Values>> N :: 120.09(3.57) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 177.8240 CA :: 63.8400 CB :: 37.0000 CG1 :: 28.5900 CG2 :: 15.7900 CD1 :: 12.1500 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 :: 7.4170 HA :: 3.5000 HB :: 2.0220 HG12 :: 1.5530 HG13 :: 1.1450 HG21 :: 0.7090 HG22 :: 0.7090 HG23 :: 0.7090 HD11 :: 0.6760 HD12 :: 0.6760 HD13 :: 0.6760 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 :: 118.1710 Ave N Shift Values>> N :: 121.46(4.28) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.12 C 0.11 D 0.11 I 0.05 K 0.05 N 0.02 C Shift Assignments>> C :: 178.5200 CA :: 57.3900 CB :: 40.3900 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 :: 8.7380 HA :: 4.3200 HB2 :: 2.7800 HB3 :: 2.6700 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 :: 119.3710 Ave N Shift Values>> N :: 120.65(3.86) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.38 I 0.08 M 0.06 K 0.02 Q 0.01 C Shift Assignments>> C :: 177.6810 CA :: 58.8930 CB :: 30.5280 CG :: 36.6330 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 :: 7.5800 HA :: 4.0300 HB2 :: 2.2130 HB3 :: 2.0270 HG2 :: 2.4720 HG3 :: 2.2780 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 :: 116.1560 Ave N Shift Values>> N :: 120.67(3.48) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 175.6370 CA :: 60.5500 CB :: 32.6500 CG1 :: 21.9600 CG2 :: 20.2000 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 :: 7.2190 HA :: 4.4900 HB :: 2.3900 HG11 :: 0.7500 HG12 :: 0.7500 HG13 :: 0.7500 HG21 :: 0.9240 HG22 :: 0.9240 HG23 :: 0.9240 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 :: 108.3550 Ave N Shift Values>> N :: 121.14(4.54) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.19 L 0.18 F 0.07 Y 0.05 C 0.05 K 0.05 C Shift Assignments>> C :: 176.8040 CA :: 53.4000 CB :: 40.8400 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 :: 7.6370 HA :: 4.5880 HB2 :: 2.7800 HB3 :: 2.5340 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 :: 121.9330 Ave N Shift Values>> N :: 120.65(3.86) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.37 M 0.12 Q 0.04 I 0.03 K 0.02 C Shift Assignments>> C :: 177.1190 CA :: 58.2400 CB :: 30.9500 CG :: 36.1500 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 :: 8.3800 HA :: 4.2120 HB2 :: 2.1960 HB3 :: 2.0760 HG2 :: 2.3900 HG3 :: 2.3100 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 :: 128.1700 Ave N Shift Values>> N :: 120.67(3.48) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.33 L 0.12 C 0.06 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 177.6590 CA :: 52.4680 CB :: 40.2930 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 :: 8.0190 HA :: 4.7280 HB2 :: 2.7420 HB3 :: 3.1350 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.7290 Ave N Shift Values>> N :: 120.65(3.86) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 175.2880 CA :: 46.9800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7440 HA2 :: 3.9060 HA3 :: 3.7900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9860 Ave N Shift Values>> N :: 109.67(3.87) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.9640 CA :: 60.0600 CB :: 64.6300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5200 HA :: 4.2300 HB2 :: 4.2300 HB3 :: 4.0150 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 :: 116.8000 Ave N Shift Values>> N :: 116.28(3.52) 1.G70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 172.5130 CA :: 45.4800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.7900(S) HA2 :: 3.5100 HA3 :: 4.2400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.3950 Ave N Shift Values>> N :: 109.67(3.87) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 T 0.11 A 0.02 C Shift Assignments>> C :: 173.3440 CA :: 58.1000 CB :: 73.6000 CG2 :: 22.4550 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 :: 7.6260 HA :: 4.9680 HB :: 3.8940 HG21 :: 1.0620 HG22 :: 1.0620 HG23 :: 1.0620 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 :: 107.4040 Ave N Shift Values>> N :: 115.42(4.75) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 175.2760 CA :: 61.5300 CB :: 33.7900 CG1 :: 21.5800 CG2 :: 23.3700 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 :: 9.7600 HA :: 5.0400 HB :: 2.2400 HG11 :: 1.2400 HG12 :: 1.2400 HG13 :: 1.2400 HG21 :: 0.9400 HG22 :: 0.9400 HG23 :: 0.9400 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 :: 127.2080 Ave N Shift Values>> N :: 121.14(4.54) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.14 K 0.08 C 0.05 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> C :: 175.9100 CA :: 52.3300 CB :: 41.6000 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 :: 8.8470 HA :: 5.1000 HB2 :: 2.6600 HB3 :: 3.2400 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 :: 129.0620 Ave N Shift Values>> N :: 120.65(3.86) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 C 0.26 Y 0.22 C Shift Assignments>> C :: 176.1160 CA :: 61.2300 CB :: 38.4000 CD1 :: 132.1100 CE1 :: 130.2900 CZ :: 129.5600 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 :: 8.5580 HA :: 3.3440 HB2 :: 2.1800 HB3 :: 2.4800 HD1 :: 6.7300 HE1 :: 7.1800 HZ :: 7.4900 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 :: 118.2450 Ave N Shift Values>> N :: 120.45(4.18) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.12 L 0.09 D 0.08 I 0.08 K 0.03 N 0.01 HN Overlap>> 1.M60 1.M60 C Shift Assignments>> C :: 179.5910 CA :: 57.8200 CB :: 40.2000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.6760 HA :: 3.9800 HB2 :: 2.6900 HB3 :: 2.5200 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 :: 117.6820 Ave N Shift Values>> N :: 120.65(3.86) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.39 I 0.09 K 0.04 M 0.04 Q 0.01 HN Overlap>> 1.R83 1.S104 1.R83 1.S104 C Shift Assignments>> C :: 178.4990 CA :: 58.2200 CB :: 30.0000 CG :: 36.7400 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 :: 8.2920 HA :: 3.9900 HB2 :: 2.4500 HB3 :: 2.0300 HG2 :: 2.8700 HG3 :: 2.4550 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 :: 120.3560 Ave N Shift Values>> N :: 120.67(3.48) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.36 C 0.18 C Shift Assignments>> C :: 177.1480 CA :: 60.7500 CB :: 39.7900 CD1 :: 131.7560 CE1 :: 131.4980 CZ :: 129.4100 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 :: 8.9290 HA :: 3.8800 HB2 :: 3.3110 HB3 :: 3.0800 HD1 :: 6.9650 HE1 :: 7.3390 HZ :: 7.2600 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 :: 123.3480 Ave N Shift Values>> N :: 120.45(4.18) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 HN Overlap>> 1.F93 1.F93 C Shift Assignments>> C :: 178.6890 CA :: 57.9000 CB :: 41.4300 CG :: 25.7500 CD1 :: 25.8000 CD2 :: 24.3000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1450 HA :: 3.2950 HB2 :: 1.0630 HB3 :: 1.6700 HG :: 1.0360 HD11 :: 0.5850 HD12 :: 0.5850 HD13 :: 0.5850 HD21 :: 0.6550 HD22 :: 0.6550 HD23 :: 0.6550 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 :: 119.2320 Ave N Shift Values>> N :: 121.86(3.9) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.4530 CA :: 66.7100 CB :: 31.1800 CG1 :: 21.6900 CG2 :: 23.4300 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 :: 7.1540 HA :: 3.2300 HB :: 2.1400 HG11 :: 0.6520 HG12 :: 0.6520 HG13 :: 0.6520 HG21 :: 0.9700 HG22 :: 0.9700 HG23 :: 0.9700 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 :: 117.9470 Ave N Shift Values>> N :: 121.14(4.54) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.4 C Shift Assignments>> C :: 178.7640 CA :: 59.1600 CB :: 32.6900 CG :: 31.1500 CE :: 17.3350 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.8050 HA :: 3.5400 HB2 :: 1.9620 HB3 :: 1.8160 HG2 :: 2.1000 HG3 :: 2.4750 HE1 :: 1.4940 HE2 :: 1.4940 HE3 :: 1.4940 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.7890 Ave N Shift Values>> N :: 120.09(3.57) 1.M81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.45 C 0.41 A 0.13 C Shift Assignments>> C :: 179.3310 CA :: 56.2400 CB :: 31.5500 CG :: 31.6000 CE :: 18.1780 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.9730 HA :: 3.9900 HB2 :: 1.0100 HB3 :: 1.3700 HG2 :: 1.0700(S) HG3 :: 1.4200 HE1 :: 1.5320 HE2 :: 1.5320 HE3 :: 1.5320 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 :: 117.4380 Ave N Shift Values>> N :: 120.09(3.57) 1.V82 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.L57 1.L57 C Shift Assignments>> C :: 179.0680 CA :: 65.9300 CB :: 31.7000 CG1 :: 21.8000 CG2 :: 22.4000 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 :: 8.1850 HA :: 3.8800 HB :: 2.1500 HG11 :: 0.9600 HG12 :: 0.9600 HG13 :: 0.9600 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 :: 118.3230 Ave N Shift Values>> N :: 121.14(4.54) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.41 G 0.09 K 0.02 HN Overlap>> 1.E76 1.E76 1.S104 1.S104 C Shift Assignments>> C :: 178.1130 CA :: 59.2400 CB :: 30.1000 CG :: 27.6400 CD :: 43.5900 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 :: 8.2650 HA :: 3.8250 HB2 :: 1.5500 HB3 :: 1.6700 HG2 :: 1.0260 HG3 :: 1.4230 HD2 :: 2.7100 HD3 :: 2.7100 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.3750 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.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7040 CA :: 60.2600 CB :: 63.5000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6730 HA :: 4.3470 HB2 :: 3.9700 HB3 :: 3.9700 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.7260 Ave N Shift Values>> N :: 116.28(3.52) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.48 A 0.02 C Shift Assignments>> C :: 176.9630 CA :: 57.3400 CB :: 33.8340 CG :: 32.2500 CE :: 16.8500 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.8570 HA :: 4.3500 HB2 :: 2.1300 HB3 :: 2.2360 HG2 :: 2.6200 HG3 :: 2.8200 HE1 :: 2.1100 HE2 :: 2.1100 HE3 :: 2.1100 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 :: 120.5010 Ave N Shift Values>> N :: 120.09(3.57) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.47 C Shift Assignments>> C :: 176.5820 CA :: 56.7970 CB :: 32.9210 CG :: 24.7660 CD :: 28.9060 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 :: 7.8940 HA :: 4.3700 HB2 :: 1.8820 HB3 :: 1.9430 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 :: 119.5370 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 K 0.12 F 0.1 N 0.08 Y 0.08 C 0.05 R 0.01 HN Overlap>> 1.R99 1.R99 C Shift Assignments>> C :: 176.4810 CA :: 54.7000 CB :: 41.2000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2560 HA :: 4.6350 HB2 :: 2.7670 HB3 :: 2.7670 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 :: 121.4910 Ave N Shift Values>> N :: 120.65(3.86) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.11 F 0.09 N 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 177.0780 CA :: 54.4400 CB :: 41.2200 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 :: 8.3260 HA :: 4.6750 HB2 :: 2.7400 HB3 :: 2.7400 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 :: 122.1820 Ave N Shift Values>> N :: 120.65(3.86) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1600 CA :: 59.5200 CB :: 63.5100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3210 HA :: 4.3500 HB2 :: 3.9560 HB3 :: 3.9680 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 :: 116.2090 Ave N Shift Values>> N :: 116.28(3.52) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.11 C Shift Assignments>> C :: 177.2370 CA :: 56.4600 CB :: 32.9000 CG :: 24.7630 CD :: 28.8800 CE :: 41.8770 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 :: 8.1970 HA :: 4.3350 HB2 :: 1.8600 HB3 :: 1.9380 HG2 :: 1.4900 HG3 :: 1.4900 HD2 :: 1.6840 HD3 :: 1.6840 HE2 :: 2.9900 HE3 :: 2.9900 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 :: 121.3690 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 HN Overlap>> 1.G119 1.G119 C Shift Assignments>> C :: 174.3820 CA :: 45.4600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2400 HA2 :: 3.9230 HA3 :: 3.9230 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9270 Ave N Shift Values>> N :: 109.67(3.87) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.41 R 0.11 HN Overlap>> 1.V101 1.V101 C Shift Assignments>> C :: 176.4490 CA :: 56.6800 CB :: 32.7800 CG :: 24.6000 CD :: 28.9100 CE :: 41.8600 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 :: 8.0740 HA :: 4.1680 HB2 :: 1.6110 HB3 :: 1.6110 HG2 :: 1.2400 HG3 :: 1.1800 HD2 :: 1.5800 HD3 :: 1.5800 HE2 :: 2.9150 HE3 :: 2.9150 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.5390 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.39 C 0.2 HN Overlap>> 1.L78 1.L78 C Shift Assignments>> C :: 175.5020 CA :: 57.2300 CB :: 39.4200 CD1 :: 131.9360 CD2 :: 131.9360 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 :: 8.1290 HA :: 4.6480 HB2 :: 3.2080 HB3 :: 2.9770 HD1 :: 7.2530 HD2 :: 7.2600 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 :: 119.3060 Ave N Shift Values>> N :: 120.45(4.18) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.11 HN Overlap>> 1.R95 1.R95 C Shift Assignments>> C :: 175.9990 CA :: 56.4000 CB :: 32.9300 CG :: 24.8000 CD :: 28.9690 CE :: 41.9900 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 :: 8.2350 HA :: 4.2600 HB2 :: 1.7970 HB3 :: 1.7300 HG2 :: 1.4000 HG3 :: 1.4000 HD2 :: 1.7150 HE2 :: 2.9800 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.4520 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 C 0.28 G 0.09 K 0.03 HN Overlap>> 1.K94 1.K94 C Shift Assignments>> CA :: 53.9800 CB :: 30.2670 CG :: 27.0000 CD :: 43.3000 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 :: 8.2490 HA :: 4.6100 HB2 :: 1.8720 HB3 :: 1.7650 HG2 :: 1.6900 HG3 :: 1.6900 HD2 :: 3.2100 HD3 :: 3.2100 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 :: 122.5610 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.0420 CA :: 63.5950 CB :: 32.0000 CG :: 27.4550 CD :: 50.6700 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 :: 4.4700 HB2 :: 1.9560 HB3 :: 2.3000 HG2 :: 2.0300 HG3 :: 2.0300 HD2 :: 3.7000 HD3 :: 3.8200 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.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.5600 CA :: 61.9000 CB :: 69.6300 CG2 :: 21.7410 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 :: 8.0670 HA :: 4.2880 HB :: 4.2140 HG21 :: 1.2000 HG22 :: 1.2000 HG23 :: 1.2000 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 :: 113.7570 Ave N Shift Values>> N :: 115.42(4.75) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.28 R 0.05 A 0.01 G 0.01 C Shift Assignments>> C :: 177.0640 CA :: 55.2000 CB :: 42.2700 CG :: 27.3300 CD1 :: 25.1000 CD2 :: 23.7000 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 :: 8.1950 HA :: 4.3450 HB2 :: 1.6100 HB3 :: 1.6100 HG :: 1.5900 HD11 :: 0.8800 HD12 :: 0.8800 HD13 :: 0.8800 HD21 :: 0.8420 HD22 :: 0.8420 HD23 :: 0.8420 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 :: 123.8670 Ave N Shift Values>> N :: 121.86(3.9) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 H 0.18 E 0.14 C 0.14 Q 0.12 M 0.11 K 0.09 HN Overlap>> 1.D87 1.D87 C Shift Assignments>> CA :: 56.1610 CB :: 30.7350 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 :: 8.2740 HA :: 4.2300 HB3 :: 1.7000 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 :: 121.4730 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.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.47 C 0.39 K 0.07 G 0.06 C Shift Assignments>> C :: 176.2320 CA :: 56.5760 CB :: 30.7800 CG :: 27.3000 CD :: 43.3170 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> HA :: 4.2570 HB2 :: 1.8450 HB3 :: 1.8450 HG2 :: 1.6350 HG3 :: 1.6350 HD2 :: 3.1870 HD3 :: 3.1870 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 HN Overlap>> 1.K92 1.K92 C Shift Assignments>> C :: 175.1180 CA :: 62.0500 CB :: 32.5000 CG1 :: 21.5300 CG2 :: 21.0570 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 :: 8.0730 HA :: 4.1300 HB :: 2.0300 HG11 :: 0.8680 HG12 :: 0.8680 HG13 :: 0.8680 HG21 :: 0.9020 HG22 :: 0.9020 HG23 :: 0.9020 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.5320 Ave N Shift Values>> N :: 121.14(4.54) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.36 K 0.08 G 0.06 C Shift Assignments>> C :: 175.5880 CA :: 55.7500 CB :: 31.4670 CG :: 27.2290 CD :: 43.2900 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 :: 8.2270 HA :: 4.4230 HB2 :: 1.8380 HB3 :: 1.7500 HG2 :: 1.5980 HG3 :: 1.5980 HD2 :: 3.1800 HD3 :: 3.1800 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.3700 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.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 174.9520 CA :: 60.1000 CB :: 39.8800 CG1 :: 27.7500 CG2 :: 17.4700 CD1 :: 13.6000 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 :: 8.0620 HA :: 4.2700 HB :: 1.8000 HG12 :: 1.1400 HG13 :: 1.5200 HG21 :: 0.9100 HG22 :: 0.9100 HG23 :: 0.9100 HD11 :: 0.8200 HD12 :: 0.8200 HD13 :: 0.8200 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 :: 120.7870 Ave N Shift Values>> N :: 121.46(4.28) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E76 1.R83 1.E76 1.R83 C Shift Assignments>> C :: 174.9500 CA :: 57.0100 CB :: 64.0000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2330 HA :: 4.5800 HB2 :: 4.1710 HB3 :: 3.9720 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.4260 Ave N Shift Values>> N :: 116.28(3.52) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.34 I 0.05 C 0.04 V 0.01 C Shift Assignments>> C :: 179.0440 CA :: 55.8000 CB :: 18.6200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7290 HA :: 4.0100 HB1 :: 1.5000 HB2 :: 1.5000 HB3 :: 1.5000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.9350 Ave N Shift Values>> N :: 123.23(3.54) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.14 D 0.12 K 0.1 C 0.1 I 0.04 N 0.01 C Shift Assignments>> C :: 178.4540 CA :: 57.2890 CB :: 40.7500 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 :: 8.4600 HA :: 4.3530 HB2 :: 2.6360 HB3 :: 2.6360 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 :: 116.2750 Ave N Shift Values>> N :: 120.65(3.86) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.44 C 0.02 I 0.02 C Shift Assignments>> C :: 179.8610 CA :: 54.7880 CB :: 18.3600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8180 HA :: 4.1300 HB1 :: 1.5200 HB2 :: 1.5200 HB3 :: 1.5200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6540 Ave N Shift Values>> N :: 123.23(3.54) 1.M108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.42 C Shift Assignments>> C :: 177.6000 CA :: 59.2440 CB :: 32.9400 CG :: 32.0600 CE :: 17.7600 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 :: 8.2910 HA :: 4.0000 HB2 :: 2.2170 HB3 :: 2.2650 HG2 :: 2.5000 HG3 :: 2.5700 HE1 :: 2.1500 HE2 :: 2.1500 HE3 :: 2.1500 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 :: 118.6570 Ave N Shift Values>> N :: 120.09(3.57) 1.M109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.44 A 0.03 HN Overlap>> 1.N18 1.N18 C Shift Assignments>> C :: 179.0600 CA :: 57.6000 CB :: 31.4000 CG :: 32.7600 CE :: 17.6900 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 :: 8.4860 HA :: 4.3860 HB2 :: 2.3300 HB3 :: 2.3300 HG2 :: 2.7900 HG3 :: 2.7900 HE1 :: 1.9900 HE2 :: 1.9900 HE3 :: 1.9900 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 :: 117.6470 Ave N Shift Values>> N :: 120.09(3.57) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.24 R 0.07 E 0.06 I 0.02 M 0.01 HN Overlap>> 1.Q50 1.Q50 C Shift Assignments>> C :: 178.6400 CA :: 58.6000 CB :: 28.3500 CG :: 33.8600 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 :: 8.0920 HA :: 4.0090 HB2 :: 2.1290 HB3 :: 2.1290 HG2 :: 2.4740 HG3 :: 2.3900 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 :: 118.2030 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.4 C 0.02 I 0.02 C Shift Assignments>> CA :: 54.7400 CB :: 18.5900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8550 HA :: 4.1200 HB1 :: 1.4900 HB2 :: 1.4900 HB3 :: 1.4900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2980 Ave N Shift Values>> N :: 123.23(3.54) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.33 R 0.17 G 0.02 A 0.01 C Shift Assignments>> C :: 178.0800 CA :: 57.0000 CB :: 42.7000 CG :: 27.2000 CD1 :: 26.1700 CD2 :: 22.6900 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 :: 8.0610 HA :: 4.2050 HB2 :: 1.5200 HB3 :: 1.9100 HG :: 1.8550 HD11 :: 0.9150 HD12 :: 0.9150 HD13 :: 0.9150 HD21 :: 0.6840 HD22 :: 0.6840 HD23 :: 0.6840 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 :: 116.4030 Ave N Shift Values>> N :: 121.86(3.9) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.27 R 0.12 A 0.03 G 0.02 C Shift Assignments>> C :: 179.0360 CA :: 55.5800 CB :: 42.5500 CG :: 27.1400 CD1 :: 25.9000 CD2 :: 22.7500 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 :: 8.2190 HA :: 4.3700 HB2 :: 1.8950 HB3 :: 1.5200 HG :: 1.7300 HD11 :: 0.9770 HD12 :: 0.9770 HD13 :: 0.9770 HD21 :: 0.8450 HD22 :: 0.8450 HD23 :: 0.8450 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 :: 116.4440 Ave N Shift Values>> N :: 121.86(3.9) 1.G114 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.5600 CA :: 46.0570 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8680 HA2 :: 3.9960 HA3 :: 43.9930(A) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.5220 Ave N Shift Values>> N :: 109.67(3.87) SRO Rule Breaks>> (H > HA3 : 0.9991) 1.A115 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Suspicious PRTL>> A 0.79 M 0.17 C 0.01 C Shift Assignments>> C :: 178.2900 CA :: 53.0900 CB :: 18.7700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 23.1280(A) HA :: 4.2400 HB1 :: 1.4100 HB2 :: 1.4100 HB3 :: 1.4100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 85.3350(S) Ave N Shift Values>> N :: 123.23(3.54) 1.R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 G 0.06 K 0.05 C Shift Assignments>> C :: 176.5900 CA :: 56.5000 CB :: 30.5000 CG :: 27.2000 CD :: 43.3070 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 :: 7.9770 HA :: 4.2330 HB2 :: 1.8850 HB3 :: 1.7960 HG2 :: 1.6350 HG3 :: 1.6800 HD2 :: 3.1690 HD3 :: 3.1690 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 :: 118.1200 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.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.13 C 0.01 HN Overlap>> 1.E19 1.E19 C Shift Assignments>> C :: 177.8200 CA :: 52.6000 CB :: 18.9000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0120 HA :: 4.2550 HB1 :: 1.3800 HB2 :: 1.3800 HB3 :: 1.3800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4690 Ave N Shift Values>> N :: 123.23(3.54) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.4 R 0.12 C Shift Assignments>> C :: 177.2900 CA :: 56.6770 CB :: 32.9510 CG :: 24.9980 CD :: 29.0560 CE :: 42.2030 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 :: 8.2170 HA :: 4.2600 HB3 :: 1.8220 HG3 :: 1.4630 HD2 :: 1.6660 HE2 :: 2.9920 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 :: 119.9920 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 HN Overlap>> 1.G91 1.G91 C Shift Assignments>> CA :: 45.2230 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3070 HA2 :: 3.8970 HA3 :: 3.8970 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0110 Ave N Shift Values>> N :: 109.67(3.87) 1.H120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 C 0.14 E 0.13 M 0.13 Q 0.1 K 0.1 V 0.01 C Shift Assignments>> CA :: 56.3000 CB :: 31.0350 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 :: 8.1140 HA :: 4.5150 HB2 :: 2.9500 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 :: 118.9640 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H122 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H123 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.CA1 Overall Status: Residue type CA not supported. 3.V8Y1 Overall Status: Residue type V8Y not supported. ########################################################################### Overall Results: #Consistent: 119 #Clerical: 0 #Suspicious: 3 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 119 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 124 #Suspicious: 1 C Shift Results: #Consistent: 504 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 792 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 2 N Shift Results: #Consistent: 113 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K17 Typing: Mistyped 1.K17 CD = 37.6760(S), Expected = 28.96, Std = 1.0800, ChiSquare = 7.0085e-16 1.K17 HD2 = 2.5630(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.4788e-05 1.K17 HD3 = 2.5030(S), Expected = 1.60, Std = 0.2200, ChiSquare = 4.0511e-05 1.K21 HD3 = 0.4090(S), Expected = 1.60, Std = 0.2200, ChiSquare = 6.1758e-08 1.G70 H = 10.7900(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.5395e-04 1.M81 HG2 = 1.0700(S), Expected = 2.42, Std = 0.3500, ChiSquare = 1.1472e-04 1.G114 HA3 = 43.9930(A), Expected = 3.90, Std = 0.3700, ChiSquare = 0.0000e+00 1.G114 SRO Rule Break>> H > HA3 : 0.99905303030303 1.A115 H = 23.1280(A), Expected = 8.20, Std = 0.6000, ChiSquare = 0.0000e+00 1.A115 N = 85.3350(S), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6637e-27