M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.22 K 0.2 R 0.13 H 0.12 W 0.11 Q 0.09 E 0.08 V 0.02 C Shift Assignments>> C :: 176.720 CA :: 55.770 CB :: 32.320 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.270 HB2 :: 1.880 HB3 :: 1.880 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.18 R 0.12 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.650 CA :: 44.740 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.290 HA2 :: 3.590 HA3 :: 3.760 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.530 Ave N Shift Values>> N :: 109.91(4.29) A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 C Shift Assignments>> C :: 176.400 CA :: 52.440 CB :: 19.250 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.810 HA :: 4.020 HB :: 0.830 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.930 Ave N Shift Values>> N :: 123.23(3.7) N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.25 R 0.15 G 0.07 K 0.07 N 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.060 CA :: 52.380 CB :: 42.850 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.080 HA :: 4.740 HB2 :: 2.540 HB3 :: 2.540 HD21 :: 7.100 HD22 :: 7.580 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.040 ND2 :: 116.500 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.3 G 0.08 D 0.05 K 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 173.160 CA :: 43.380 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.710 HA2 :: 2.860 HA3 :: 4.170 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.590 Ave N Shift Values>> N :: 109.91(4.29) Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.430 CA :: 57.600 CB :: 39.370 CD1 :: 132.470 CD2 :: 132.470 CE1 :: 117.970 CE2 :: 117.970 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.420 HA :: 4.940 HB2 :: 2.980 HB3 :: 3.060 HD1 :: 7.260 HD2 :: 7.260 HE1 :: 7.050 HE2 :: 7.050 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.930 Ave N Shift Values>> N :: 120.79(4.69) K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 A 0.39 R 0.02 G 0.01 C Shift Assignments>> C :: 174.410 CA :: 54.570 CB :: 36.950 CG :: 23.140 CD :: 27.140 CE :: 40.910 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.920 HA :: 4.560 HB2 :: 1.530 HB3 :: 1.570 HG2 :: 0.990 HG3 :: 1.180 HD2 :: 1.270 HD3 :: 1.390 HE2 :: 2.580 HE3 :: 2.500 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 128.860 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.060 CA :: 61.310 CB :: 69.630 CG2 :: 20.460 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.350 HA :: 5.280 HB :: 3.790 HG2 :: 1.120 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.130 Ave N Shift Values>> N :: 115.7(5.05) I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> I79 C Shift Assignments>> C :: 176.130 CA :: 60.170 CB :: 40.500 CG1 :: 26.660 CG2 :: 15.680 CD1 :: 11.970 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.540 HA :: 4.230 HB :: 1.760 HG2 :: 0.800 HG12 :: 0.970 HG13 :: 1.380 HD1 :: 0.600 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.350 Ave N Shift Values>> N :: 121.6(4.72) D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.21 D 0.2 N 0.18 L 0.08 I 0.03 E 0.03 C Shift Assignments>> C :: 176.160 CA :: 55.630 CB :: 39.140 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.300 HA :: 4.220 HB2 :: 2.600 HB3 :: 2.930 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.860 Ave N Shift Values>> N :: 120.73(4.2) N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 Y 0.18 E 0.13 F 0.11 D 0.09 M 0.04 I 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 173.800 CA :: 54.650 CB :: 37.630 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.570 HA :: 4.080 HB2 :: 2.980 HB3 :: 2.980 HD21 :: 6.870 HD22 :: 7.510 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 109.100 ND2 :: 112.900 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 R 0.06 G 0.01 C Shift Assignments>> C :: 173.790 CA :: 54.800 CB :: 35.670 CD :: 27.920 CE :: 41.690 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.910 HA :: 4.400 HB2 :: 1.320 HB3 :: 2.070 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 3.090 HE3 :: 3.090 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.27 L 0.15 F 0.06 K 0.05 Y 0.05 R 0.01 HN Overlap>> T78 C Shift Assignments>> C :: 173.000 CA :: 52.610 CB :: 40.730 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.690 HA :: 5.460 HB2 :: 2.540 HB3 :: 2.540 HD21 :: 6.490 HD22 :: 7.870 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.620 ND2 :: 115.000 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.95 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.530 CA :: 56.620 CB :: 45.500 CD1 :: 129.170 CD2 :: 129.170 CE1 :: 129.870 CE2 :: 129.870 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.660 HA :: 4.940 HB2 :: 2.300 HB3 :: 2.490 HD1 :: 6.680 HD2 :: 6.680 HE1 :: 6.880 HE2 :: 6.880 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.330 Ave N Shift Values>> N :: 120.69(4.18) Y15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.580 CA :: 57.450 CB :: 38.540 CD1 :: 130.870 CD2 :: 130.870 CE1 :: 117.270 CE2 :: 117.270 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 10.150 HA :: 4.230 HB2 :: 0.890(S) HB3 :: 1.960 HD1 :: 6.060 HD2 :: 6.060 HE1 :: 6.500 HE2 :: 6.500 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.750 Ave N Shift Values>> N :: 120.79(4.69) F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 Y 0.3 C Shift Assignments>> C :: 177.730 CA :: 57.370 CB :: 41.190 CD1 :: 129.370 CD2 :: 129.370 CE1 :: 129.770 CE2 :: 129.770 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.260 HA :: 4.590 HB2 :: 2.500 HB3 :: 2.570 HD1 :: 6.690 HD2 :: 6.690 HE1 :: 6.870 HE2 :: 6.870 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.010 Ave N Shift Values>> N :: 120.69(4.18) R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.33 G 0.06 C Shift Assignments>> C :: 176.190 CA :: 55.860 CB :: 32.490 CG :: 26.930 CD :: 42.970 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.660 HA :: 4.700 HB2 :: 1.470 HB3 :: 1.740 HG2 :: 1.450 HG3 :: 1.580 HD2 :: 3.160 HD3 :: 3.160 HE :: 7.150 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.380 NE :: 84.230 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 Y 0.13 E 0.11 D 0.08 F 0.07 M 0.05 K 0.01 L 0.01 I 0.01 C Shift Assignments>> C :: 175.250 CA :: 53.820 CB :: 37.320 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.410 HA :: 4.200 HB2 :: 2.750 HB3 :: 3.050 HD21 :: 6.900 HD22 :: 7.600 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.810 ND2 :: 112.600 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 173.500 CA :: 45.570 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.090 HA2 :: 3.580 HA3 :: 4.210 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.140 Ave N Shift Values>> N :: 109.91(4.29) L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.32 A 0.31 C Shift Assignments>> C :: 175.390 CA :: 50.860 CB :: 43.300 CG :: 25.670 CD1 :: 21.970 CD2 :: 23.970 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.750 HA :: 5.000 HB2 :: 1.390 HB3 :: 1.560 HG :: 1.560 HD1 :: 0.860 HD2 :: 0.920 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.640 Ave N Shift Values>> N :: 121.98(4.07) P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.100 CA :: 62.820 CB :: 32.330 CG :: 26.160 CD :: 50.480 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.800 HB2 :: 1.850 HB3 :: 2.050 HG2 :: 1.420 HG3 :: 1.930 HD2 :: 3.550 HD3 :: 3.550 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 H 0.16 K 0.16 R 0.13 W 0.1 Q 0.05 E 0.05 P 0.01 C Shift Assignments>> C :: 174.920 CA :: 53.140 CB :: 32.110 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.690 HA :: 4.430 HB2 :: 1.640 HB3 :: 2.060 HE21 :: 6.940 HE22 :: 7.170 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.440 NE2 :: 116.900 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 A 0.03 C Shift Assignments>> C :: 176.890 CA :: 58.280 CB :: 38.920 CG1 :: 27.450 CG2 :: 17.100 CD1 :: 12.380 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.110 HA :: 4.650 HB :: 1.820 HG2 :: 0.990 HG12 :: 1.100 HG13 :: 1.390 HD1 :: 0.710 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.840 Ave N Shift Values>> N :: 121.6(4.72) G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.29 G 0.25 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.480 CA :: 43.980 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.650 HA2 :: 3.440 HA3 :: 4.150 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.220 Ave N Shift Values>> N :: 109.91(4.29) V25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 175.650 CA :: 60.480 CB :: 31.880 CG1 :: 19.290 CG2 :: 19.290 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.470 HA :: 5.090 HB :: 1.080 HG1 :: -0.290(S) HG2 :: 0.360 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.410 Ave N Shift Values>> N :: 121.02(4.96) F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 Y 0.37 G 0.03 HN Overlap>> R51 C Shift Assignments>> C :: 174.120 CA :: 55.330 CB :: 42.320 CD1 :: 131.370 CD2 :: 131.370 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.080 HA :: 4.990 HB2 :: 2.020 HB3 :: 2.020 HD1 :: 6.860 HD2 :: 6.860 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.930 Ave N Shift Values>> N :: 120.69(4.18) K27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.66 R 0.26 M 0.05 HN Overlap>> Y64 C Shift Assignments>> C :: 176.300 CA :: 56.160 CB :: 31.880 CG :: 23.770 CD :: 27.970 CE :: 40.910 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.770 HA :: 3.680 HB2 :: 0.630(S) HB3 :: 1.490 HG2 :: 0.250(S) HG3 :: 0.980 HD2 :: 1.230 HD3 :: 1.230 HE2 :: 2.700 HE3 :: 2.700 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.950 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.3 G 0.17 D 0.04 F 0.04 K 0.02 Y 0.02 C Shift Assignments>> C :: 175.150 CA :: 43.750 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.640 HA2 :: 3.180 HA3 :: 4.170 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.990 Ave N Shift Values>> N :: 109.91(4.29) S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.990 CA :: 59.790 CB :: 62.520 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.260 HA :: 4.050 HB2 :: 3.710 HB3 :: 3.840 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.730 Ave N Shift Values>> N :: 116.3(3.95) N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.3 L 0.06 Y 0.05 F 0.05 C Shift Assignments>> C :: 174.530 CA :: 52.080 CB :: 39.600 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.680 HA :: 4.900 HB2 :: 2.380 HB3 :: 2.820 HD21 :: 6.940 HD22 :: 7.640 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.590 ND2 :: 114.500 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 G 0.07 K 0.05 D 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 174.940 CA :: 43.300 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.280 HA2 :: 3.440 HA3 :: 4.430 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.970 Ave N Shift Values>> N :: 109.91(4.29) F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 Y 0.37 C Shift Assignments>> C :: 175.510 CA :: 58.810 CB :: 40.280 CD1 :: 130.470 CD2 :: 130.470 CE1 :: 130.770 CE2 :: 130.770 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.380 HA :: 4.770 HB2 :: 2.290 HB3 :: 2.710 HD1 :: 6.900 HD2 :: 6.900 HE1 :: 7.260 HE2 :: 7.260 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.670 Ave N Shift Values>> N :: 120.69(4.18) E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 K 0.2 Q 0.16 H 0.1 R 0.09 W 0.08 E 0.04 V 0.01 C Shift Assignments>> C :: 173.000 CA :: 54.570 CB :: 32.860 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.270 HA :: 4.790 HB2 :: 1.590 HB3 :: 1.590 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.670 Ave N Shift Values>> N :: 120.68(3.68) Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 H 0.32 W 0.01 C Shift Assignments>> C :: 172.970 CA :: 53.070 CB :: 35.970 CD1 :: 129.670 CD2 :: 129.670 CE1 :: 116.570 CE2 :: 116.570 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.750 HA :: 4.880 HB2 :: 2.020 HB3 :: 2.310 HD1 :: 5.950 HD2 :: 5.950 HE1 :: 6.130 HE2 :: 6.130 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.870 Ave N Shift Values>> N :: 120.79(4.69) F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.78 F 0.2 H 0.01 C Shift Assignments>> C :: 174.720 CA :: 57.770 CB :: 36.870 CD1 :: 133.270 CD2 :: 133.270 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.820 HA :: 3.880 HB2 :: 3.230 HB3 :: 3.400 HD1 :: 7.840 HD2 :: 7.840 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.130 Ave N Shift Values>> N :: 120.69(4.18) A36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.86 M 0.11 L 0.01 C Shift Assignments>> C :: 175.630 CA :: 51.020 CB :: 20.000 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.110 HA :: 4.230 HB :: 0.440(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.270 Ave N Shift Values>> N :: 123.23(3.7) P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.190 CA :: 61.910 CB :: 31.880 CG :: 26.930 CD :: 50.330 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.290 HB2 :: 1.630 HB3 :: 2.470 HG2 :: 2.000 HG3 :: 2.100 HD2 :: 3.500 HD3 :: 3.680 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.22 C Shift Assignments>> C :: 177.540 CA :: 52.610 CB :: 18.790 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.360 HA :: 3.890 HB :: 1.400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.580 Ave N Shift Values>> N :: 123.23(3.7) N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 N 0.24 M 0.14 Y 0.13 F 0.06 K 0.05 D 0.02 Q 0.01 I 0.01 C Shift Assignments>> C :: 174.840 CA :: 54.650 CB :: 36.490 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.720 HA :: 4.030 HB2 :: 2.870 HB3 :: 3.030 HD21 :: 6.790 HD22 :: 7.510 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.700 ND2 :: 111.800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.330 CA :: 66.150 CB :: 67.960 CG2 :: 20.270 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.090 HA :: 4.020 HB :: 3.800 HG2 :: 1.130 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.840 Ave N Shift Values>> N :: 115.7(5.05) D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.17 R 0.05 D 0.01 C Shift Assignments>> C :: 174.690 CA :: 54.350 CB :: 45.350 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.790 HA :: 4.650 HB2 :: 2.380 HB3 :: 2.510 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.640 Ave N Shift Values>> N :: 120.73(4.2) A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.41 C Shift Assignments>> C :: 176.900 CA :: 52.750 CB :: 16.670 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.760 HA :: 3.880 HB :: 1.290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.580 Ave N Shift Values>> N :: 123.23(3.7) N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 Y 0.11 E 0.1 D 0.07 F 0.06 M 0.06 K 0.01 C Shift Assignments>> C :: 175.830 CA :: 53.440 CB :: 37.180 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.900 HA :: 4.650 HB2 :: 2.750 HB3 :: 2.990 HD21 :: 6.790 HD22 :: 7.420 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.160 ND2 :: 111.610 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 Y 0.24 F 0.17 D 0.13 E 0.09 L 0.03 I 0.03 M 0.02 C Shift Assignments>> C :: 175.450 CA :: 55.410 CB :: 38.230 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.760 HA :: 4.330 HB2 :: 2.250 HB3 :: 2.960 HD21 :: 6.800 HD22 :: 6.800 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.470 ND2 :: 119.700 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.810 CA :: 60.020 CB :: 39.070 CG1 :: 26.930 CG2 :: 16.570 CD1 :: 12.470 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.130 HA :: 4.310 HB :: 2.050 HG2 :: 1.210 HG12 :: 1.470 HG13 :: 1.700 HD1 :: 1.040 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.130 Ave N Shift Values>> N :: 121.6(4.72) E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 E 0.16 R 0.12 Q 0.12 K 0.12 H 0.12 I 0.09 M 0.03 V 0.02 C Shift Assignments>> C :: 176.300 CA :: 58.810 CB :: 29.530 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.860 HA :: 3.930 HB2 :: 1.980 HB3 :: 2.140 HG2 :: 1.990 HG3 :: 2.130 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.550 Ave N Shift Values>> N :: 120.68(3.68) G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.22 R 0.18 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.560 CA :: 44.510 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.980 HA2 :: 3.190 HA3 :: 4.240 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.990 Ave N Shift Values>> N :: 109.91(4.29) Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 K 0.24 Q 0.1 R 0.1 C Shift Assignments>> C :: 175.870 CA :: 53.880 CB :: 30.670 CG :: 31.570 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.150 HA :: 3.790 HB2 :: 1.750 HB3 :: 1.930 HG2 :: 2.550 HG3 :: 2.550 HE21 :: 7.040 HE22 :: 7.300 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.440 NE2 :: 111.200 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.14 C Shift Assignments>> C :: 180.520 CA :: 51.470 CB :: 18.790 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.360 HA :: 4.680 HB :: 0.820 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.550 Ave N Shift Values>> N :: 123.23(3.7) I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 G 0.04 A 0.01 C Shift Assignments>> C :: 176.050 CA :: 59.340 CB :: 42.020 CG2 :: 16.570 CD1 :: 14.770 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.540 HA :: 4.590 HB :: 1.930 HG2 :: 0.730 HG12 :: 0.980 HD1 :: 0.520 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 114.730 Ave N Shift Values>> N :: 121.6(4.72) R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 K 0.45 L 0.06 G 0.01 HN Overlap>> F26 C Shift Assignments>> C :: 176.170 CA :: 55.630 CB :: 30.060 CG :: 26.160 CD :: 41.970 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.050 HA :: 4.130 HB2 :: 1.650 HB3 :: 1.650 HG2 :: 1.360 HG3 :: 1.500 HD2 :: 3.110 HD3 :: 3.110 HE :: 7.320 HH21 :: 6.670 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.930 NE :: 84.790 NH2 :: 71.530 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.390 CA :: 60.170 CB :: 37.780 CD1 :: 131.770 CD2 :: 131.770 CE1 :: 116.970 CE2 :: 116.970 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.440 HA :: 3.880 HB2 :: 2.390 HB3 :: 2.520 HD1 :: 6.580 HD2 :: 6.580 HE1 :: 6.380 HE2 :: 6.380 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 128.610 Ave N Shift Values>> N :: 120.79(4.69) Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 K 0.25 H 0.11 R 0.1 W 0.08 E 0.04 Q 0.03 V 0.01 C Shift Assignments>> C :: 175.160 CA :: 54.570 CB :: 33.090 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.810 HA :: 4.590 HB2 :: 1.750 HB3 :: 1.750 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.870 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 E 0.17 Y 0.12 M 0.1 F 0.05 D 0.04 K 0.03 I 0.01 C Shift Assignments>> C :: 174.570 CA :: 53.820 CB :: 36.720 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.250 HA :: 4.400 HB2 :: 2.630 HB3 :: 2.750 HD21 :: 7.280 HD22 :: 7.520 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.440 ND2 :: 114.650 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.72 R 0.13 G 0.13 C Shift Assignments>> C :: 175.360 CA :: 54.650 CB :: 34.450 CG :: 24.860 CD :: 42.970 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.380 HA :: 4.550 HB2 :: 1.240 HB3 :: 1.690 HG2 :: 1.050 HG3 :: 1.220 HD2 :: 1.990(S) HD3 :: 2.390(S) HE :: 6.610 HH21 :: 6.480 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 113.960 NE :: 85.070 NH2 :: 71.620 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.46 C Shift Assignments>> C :: 177.490 CA :: 58.430 CB :: 39.640 CD1 :: 131.270 CD2 :: 131.270 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.680 HA :: 5.270 HB2 :: 2.860 HB3 :: 3.100 HD1 :: 7.510 HD2 :: 7.510 HE1 :: 6.980 HE2 :: 6.980 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.070 Ave N Shift Values>> N :: 120.69(4.18) L57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.53 A 0.42 L 0.04 C Shift Assignments>> C :: 174.120 CA :: 54.650 CB :: 45.800 CG :: 26.440 CD1 :: 20.270 CD2 :: 23.840 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.440 HA :: 4.650 HB2 :: 0.980 HB3 :: 1.620 HG :: 0.930 HD1 :: 0.330 HD2 :: -0.670(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.520 Ave N Shift Values>> N :: 121.98(4.07) H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.77 W 0.22 C Shift Assignments>> C :: 174.330 CA :: 54.120 CB :: 29.460 CD2 :: 117.970 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.750 HA :: 5.430 HB2 :: 3.120 HB3 :: 3.120 HD2 :: 7.090 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 126.290 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.43 A 0.03 R 0.01 C Shift Assignments>> C :: 176.000 CA :: 53.970 CB :: 44.820 CG :: 26.470 CD1 :: 23.320 CD2 :: 25.370 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.660 HA :: 4.700 HB2 :: 1.170 HB3 :: 1.680 HG :: 1.420 HD1 :: 0.920 HD2 :: 0.790 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.520 Ave N Shift Values>> N :: 121.98(4.07) L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 A 0.29 C Shift Assignments>> C :: 177.010 CA :: 55.480 CB :: 39.360 CG :: 25.970 CD1 :: 24.270 CD2 :: 21.670 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.680 HA :: 3.990 HB2 :: 1.790 HB3 :: 1.790 HG :: 1.610 HD1 :: 0.990 HD2 :: 0.940 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.350 Ave N Shift Values>> N :: 121.98(4.07) G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 R 0.05 C Shift Assignments>> C :: 174.330 CA :: 45.190 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.590 HA2 :: 3.640 HA3 :: 4.170 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.710 Ave N Shift Values>> N :: 109.91(4.29) K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.21 A 0.03 G 0.02 M 0.01 C Shift Assignments>> C :: 175.270 CA :: 53.590 CB :: 33.920 CG :: 23.870 CD :: 27.470 CE :: 41.970 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.970 HA :: 4.440 HB2 :: 1.370 HB3 :: 1.990 HG2 :: 1.470 HG3 :: 1.470 HD2 :: 1.730 HD3 :: 1.730 HE2 :: 3.080 HE3 :: 3.080 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.900 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.270 CA :: 60.920 CB :: 40.120 CG1 :: 27.450 CG2 :: 16.570 CD1 :: 12.470 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.540 HA :: 4.490 HB :: 1.490 HG2 :: 0.790 HG12 :: 0.440 HG13 :: 1.380 HD1 :: 0.610 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.700 Ave N Shift Values>> N :: 121.6(4.72) Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.23 D 0.15 K 0.14 F 0.06 Y 0.04 G 0.02 N 0.01 HN Overlap>> K27 C Shift Assignments>> C :: 175.130 CA :: 55.030 CB :: 42.770 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.870 HA :: 4.830 HB2 :: 2.520 HB3 :: 2.690 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.950 Ave N Shift Values>> N :: 120.79(4.69) Y65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 171.950 CA :: 58.510 CB :: 40.500 CD1 :: 131.170 CD2 :: 131.170 CE1 :: 116.170 CE2 :: 116.170 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.020 HA :: 4.430 HB2 :: 1.510(S) HB3 :: 1.770 HD1 :: 5.420 HD2 :: 5.420 HE1 :: 6.170 HE2 :: 6.170 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.180 Ave N Shift Values>> N :: 120.79(4.69) F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 F 0.4 G 0.01 C Shift Assignments>> C :: 175.510 CA :: 56.160 CB :: 41.640 CD1 :: 131.070 CD2 :: 131.070 CE1 :: 127.570 CE2 :: 127.570 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.440 HA :: 4.160 HB2 :: 2.670 HB3 :: 3.080 HD1 :: 6.820 HD2 :: 6.820 HE1 :: 6.500 HE2 :: 6.500 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 127.580 Ave N Shift Values>> N :: 120.69(4.18) G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.3 G 0.08 D 0.05 K 0.05 F 0.04 Y 0.03 I 0.01 HN Overlap>> T74 C Shift Assignments>> C :: 177.130 CA :: 43.370 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.520 HA2 :: 3.830 HA3 :: 4.350 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.940 Ave N Shift Values>> N :: 109.91(4.29) N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.23 D 0.14 N 0.14 E 0.06 L 0.05 I 0.05 M 0.01 C Shift Assignments>> C :: 175.770 CA :: 56.160 CB :: 38.760 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.860 HA :: 4.290 HB2 :: 2.770 HB3 :: 2.960 HD21 :: 6.790 HD22 :: 7.430 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.610 ND2 :: 111.800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 D 0.05 Y 0.05 M 0.04 E 0.03 F 0.03 C Shift Assignments>> C :: 175.650 CA :: 51.390 CB :: 37.020 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.160 HA :: 4.770 HB2 :: 2.820 HB3 :: 3.190 HD21 :: 7.040 HD22 :: 7.640 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.730 ND2 :: 111.200 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.770 CA :: 59.560 CB :: 59.560 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.800 HA :: 4.710 HB2 :: 4.050 HB3 :: 4.180 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 107.280 Ave N Shift Values>> N :: 116.3(3.95) K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 K 0.28 G 0.16 A 0.14 M 0.01 C Shift Assignments>> C :: 177.550 CA :: 51.240 CB :: 33.010 CG :: 23.270 CD :: 26.970 CE :: 42.460 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.150 HA :: 5.460 HB2 :: 1.600 HB3 :: 1.950 HG2 :: 1.190 HG3 :: 1.360 HD2 :: 1.230 HD3 :: 1.580 HE2 :: 2.820 HE3 :: 2.820 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.730 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.8 M 0.18 C Shift Assignments>> C :: 178.260 CA :: 51.020 CB :: 17.200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.800 HA :: 3.650 HB :: 0.520(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.320 Ave N Shift Values>> N :: 123.23(3.7) V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 174.440 CA :: 59.940 CB :: 32.260 CG1 :: 19.570 CG2 :: 22.670 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.160 HA :: 4.210 HB :: 2.000 HG1 :: 0.310 HG2 :: 0.820 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.270 Ave N Shift Values>> N :: 121.02(4.96) T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 A 0.02 HN Overlap>> G67 C Shift Assignments>> C :: 175.450 CA :: 59.560 CB :: 73.180 CG2 :: 21.240 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.520 HA :: 4.460 HB :: 3.810 HG2 :: 0.940 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 103.940 Ave N Shift Values>> N :: 115.7(5.05) G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.29 G 0.25 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.530 CA :: 43.980 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.420 HA2 :: 2.970 HA3 :: 4.180 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.590 Ave N Shift Values>> N :: 109.91(4.29) W76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.96 H 0.03 C Shift Assignments>> C :: 178.780 CA :: 57.300 CB :: 29.760 CD1 :: 127.170 CE3 :: 120.970 CZ2 :: 114.470 CZ3 :: 119.870 CH2 :: 122.570 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.290 HA :: 5.330 HB2 :: 3.160 HB3 :: 3.310 HD1 :: 7.620 HE1 :: 10.500 HE3 :: 7.780 HZ2 :: 6.810 HZ3 :: 6.570 HH2 :: 5.580 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.380 NE1 :: 130.400 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 K 0.23 H 0.12 R 0.11 W 0.08 E 0.04 Q 0.04 V 0.01 HN Overlap>> F99 C Shift Assignments>> C :: 174.920 CA :: 53.970 CB :: 32.860 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.470 HA :: 4.700 HB3 :: 1.640 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.930 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> N13 C Shift Assignments>> C :: 174.940 CA :: 61.230 CB :: 68.640 CG2 :: 19.640 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.690 HA :: 5.400 HB :: 4.010 HG2 :: 1.010 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.610 Ave N Shift Values>> N :: 115.7(5.05) I79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> I9 C Shift Assignments>> C :: 176.120 CA :: 60.320 CB :: 40.120 CG1 :: 26.420 CG2 :: 16.580 CD1 :: 12.470 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.540 HA :: 4.180 HB :: 1.700 HG2 :: 0.450 HG12 :: 0.260 HG13 :: 1.040 HD1 :: -0.340(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.350 Ave N Shift Values>> N :: 121.6(4.72) N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 Y 0.14 E 0.13 F 0.08 D 0.07 M 0.05 K 0.01 I 0.01 L 0.01 C Shift Assignments>> C :: 175.660 CA :: 54.040 CB :: 37.320 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.580 HA :: 4.390 HB2 :: 2.880 HB3 :: 3.170 HD21 :: 7.040 HD22 :: 7.720 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.840 ND2 :: 112.100 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 173.630 CA :: 45.340 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.520 HA2 :: 3.550 HA3 :: 4.120 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.140 Ave N Shift Values>> N :: 109.91(4.29) K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 A 0.2 R 0.15 G 0.01 M 0.01 C Shift Assignments>> C :: 173.620 CA :: 54.570 CB :: 34.910 CG :: 22.870 CD :: 26.770 CE :: 41.470 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.760 HA :: 4.570 HB3 :: 1.640 HG2 :: 0.990 HG3 :: 1.170 HD2 :: 1.270 HD3 :: 1.390 HE2 :: 2.510 HE3 :: 2.580 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.660 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.090 CA :: 62.820 CB :: 32.330 CG1 :: 20.770 CG2 :: 21.770 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.290 HA :: 4.770 HB :: 1.900 HG1 :: 0.940 HG2 :: 1.110 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.700 Ave N Shift Values>> N :: 121.02(4.96) Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.27 R 0.16 D 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.940 CA :: 55.550 CB :: 44.820 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.030 HA :: 4.780 HB2 :: 2.130 HB3 :: 2.330 HD1 :: 6.930 HD2 :: 6.930 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.800 Ave N Shift Values>> N :: 120.79(4.69) Y85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.470 CA :: 57.750 CB :: 40.950 CD1 :: 131.570 CD2 :: 131.570 CE1 :: 116.570 CE2 :: 116.570 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.770 HA :: 4.170 HB2 :: 1.330(S) HB3 :: 1.580(S) HD1 :: 5.430 HD2 :: 5.430 HE1 :: 6.360 HE2 :: 6.360 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.410 Ave N Shift Values>> N :: 120.79(4.69) F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.18 Y 0.17 L 0.15 N 0.12 K 0.06 I 0.02 C Shift Assignments>> C :: 175.770 CA :: 55.480 CB :: 40.200 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.240 HA :: 4.090 HB2 :: 2.260 HB3 :: 2.490 HD1 :: 7.030 HD2 :: 7.030 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.270 Ave N Shift Values>> N :: 120.69(4.18) M87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.45 C Shift Assignments>> C :: 177.200 CA :: 53.390 CB :: 31.060 CG :: 32.170 CE :: 17.870 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.630 HA :: 4.100 HB2 :: 2.170 HB3 :: 2.170 HG2 :: 2.550 HG3 :: 2.750 HE :: 2.040 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 125.330 Ave N Shift Values>> N :: 120.1(3.88) P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.930 CA :: 64.860 CB :: 31.800 CG :: 27.190 CD :: 50.740 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.080 HB2 :: 2.040 HB3 :: 2.330 HG2 :: 1.940 HG3 :: 2.180 HD2 :: 3.820 HD3 :: 3.860 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 F 0.16 N 0.16 Y 0.16 L 0.14 K 0.05 I 0.01 C Shift Assignments>> C :: 178.050 CA :: 55.100 CB :: 40.050 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.750 HA :: 4.720 HB2 :: 2.780 HB3 :: 2.850 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 111.390 Ave N Shift Values>> N :: 120.73(4.2) T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.420 CA :: 61.150 CB :: 71.670 CG2 :: 20.720 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.020 HA :: 4.560 HB :: 4.320 HG2 :: 1.220 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.540 Ave N Shift Values>> N :: 115.7(5.05) A91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.78 A 0.19 I 0.02 C Shift Assignments>> C :: 174.390 CA :: 53.970 CB :: 15.310 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.350 HA :: 3.340 HB :: 0.410(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.870 Ave N Shift Values>> N :: 123.23(3.7) M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.36 C Shift Assignments>> C :: 176.770 CA :: 54.720 CB :: 33.390 CG :: 30.870 CE :: 17.270 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.220 HA :: 3.850 HB2 :: 1.590 HB3 :: 1.590 HG2 :: 2.170 HG3 :: 2.220 HE :: 2.190 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.530 Ave N Shift Values>> N :: 120.1(3.88) A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.26 C Shift Assignments>> C :: 179.900 CA :: 51.700 CB :: 16.980 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.090 HA :: 3.810 HB :: 1.000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.270 Ave N Shift Values>> N :: 123.23(3.7) A94 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.58 A 0.4 C Shift Assignments>> C :: 175.250 CA :: 52.000 CB :: 15.240 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.370 HA :: 3.010 HB :: -0.730(M) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.810 Ave N Shift Values>> N :: 123.23(3.7) A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.17 L 0.09 C Shift Assignments>> C :: 176.810 CA :: 51.850 CB :: 21.060 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.770 HA :: 4.350 HB :: 1.060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.180 Ave N Shift Values>> N :: 123.23(3.7) G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.740 CA :: 46.330 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.300 HA2 :: 3.640 HA3 :: 4.070 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.850 Ave N Shift Values>> N :: 109.91(4.29) G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 171.440 CA :: 44.890 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.210 HA2 :: 3.710 HA3 :: 4.300 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.770 Ave N Shift Values>> N :: 109.91(4.29) L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 A 0.21 G 0.08 R 0.01 C Shift Assignments>> C :: 177.930 CA :: 53.820 CB :: 42.770 CG :: 25.410 CD1 :: 22.320 CD2 :: 24.370 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.130 HA :: 5.330 HB2 :: 1.200 HB3 :: 1.690 HG :: 1.720 HD1 :: 0.870 HD2 :: 0.860 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.410 Ave N Shift Values>> N :: 121.98(4.07) F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.24 K 0.18 F 0.1 Y 0.07 D 0.07 G 0.02 I 0.01 HN Overlap>> Q77 C Shift Assignments>> C :: 173.910 CA :: 56.990 CB :: 42.770 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.520 HA :: 4.600 HB2 :: 2.780 HB3 :: 2.850 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.930 Ave N Shift Values>> N :: 120.69(4.18) E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 E 0.25 K 0.23 M 0.17 R 0.01 C Shift Assignments>> C :: 175.840 CA :: 54.720 CB :: 29.910 CG :: 34.670 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.770 HA :: 4.960 HB2 :: 1.720 HB3 :: 2.060 HG2 :: 1.880 HG3 :: 2.070 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.500 Ave N Shift Values>> N :: 120.68(3.68) I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.410 CA :: 60.320 CB :: 40.430 CG1 :: 26.470 CG2 :: 16.070 CD1 :: 13.470 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.420 HA :: 4.220 HB :: 1.860 HG2 :: 0.310 HG12 :: 0.380 HG13 :: 1.150 HD1 :: -0.090 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.380 Ave N Shift Values>> N :: 121.6(4.72) D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.18 F 0.15 Y 0.15 L 0.13 K 0.04 I 0.01 C Shift Assignments>> C :: 176.390 CA :: 54.950 CB :: 39.970 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.440 HA :: 4.360 HB2 :: 2.870 HB3 :: 3.070 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.840 Ave N Shift Values>> N :: 120.73(4.2) G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 173.910 CA :: 45.350 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.570 HA2 :: 3.690 HA3 :: 4.140 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.400 Ave N Shift Values>> N :: 109.91(4.29) V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.390 CA :: 60.770 CB :: 34.370 CG1 :: 19.670 CG2 :: 20.170 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.700 HA :: 4.110 HB :: 1.880 HG1 :: 0.340 HG2 :: 0.880 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.710 Ave N Shift Values>> N :: 121.02(4.96) I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.460 CA :: 60.470 CB :: 37.470 CG1 :: 27.470 CG2 :: 18.170 CD1 :: 10.870 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.990 HA :: 4.520 HB :: 1.490 HG2 :: 0.730 HG12 :: 0.960 HG13 :: 1.370 HD1 :: 0.600 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.210 Ave N Shift Values>> N :: 121.6(4.72) Y106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 G 0.26 C Shift Assignments>> C :: 173.670 CA :: 56.310 CB :: 43.380 CD1 :: 133.270 CD2 :: 133.270 CE1 :: 117.470 CE2 :: 117.470 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.010 HA :: 4.700 HB2 :: 2.840 HB3 :: 2.840 HD1 :: 7.210 HD2 :: 7.210 HE1 :: 6.980 HE2 :: 6.980 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.290 Ave N Shift Values>> N :: 120.79(4.69) F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.39 C Shift Assignments>> C :: 173.410 CA :: 57.220 CB :: 40.500 CD1 :: 130.770 CD2 :: 130.770 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.820 HA :: 4.990 HB2 :: 2.850 HB3 :: 3.220 HD1 :: 7.140 HD2 :: 7.140 HE1 :: 7.280 HE2 :: 7.280 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.160 Ave N Shift Values>> N :: 120.69(4.18) F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.22 R 0.18 D 0.12 F 0.1 Y 0.07 N 0.01 C Shift Assignments>> C :: 176.520 CA :: 56.100 CB :: 42.240 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.990 HA :: 4.670 HB2 :: 2.360 HB3 :: 2.640 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.470 Ave N Shift Values>> N :: 120.69(4.18) G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.27 R 0.26 F 0.03 D 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 177.700 CA :: 44.210 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.540 HA2 :: 4.230 HA3 :: 4.230 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.500 Ave N Shift Values>> N :: 109.91(4.29) V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 175.190 CA :: 64.940 CB :: 31.270 CG1 :: 18.970 CG2 :: 19.770 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.980 HA :: 3.740 HB :: 2.250 HG1 :: 1.040 HG2 :: 1.060 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.870 Ave N Shift Values>> N :: 121.02(4.96) D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.33 L 0.08 F 0.05 Y 0.05 K 0.01 C Shift Assignments>> C :: 176.090 CA :: 52.000 CB :: 39.900 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.240 HA :: 4.360 HB2 :: 2.570 HB3 :: 2.990 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.300 Ave N Shift Values>> N :: 120.73(4.2) G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.29 G 0.23 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.590 CA :: 43.910 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.920 HA2 :: 4.040 HA3 :: 4.040 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.250 Ave N Shift Values>> N :: 109.91(4.29) V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.540 CA :: 62.900 CB :: 31.350 CG1 :: 20.730 CG2 :: 22.270 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.170 HA :: 3.430 HB :: 1.920 HG1 :: 0.840 HG2 :: 0.550 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.840 Ave N Shift Values>> N :: 121.02(4.96) K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 R 0.31 A 0.19 K 0.13 C Shift Assignments>> C :: 176.180 CA :: 56.770 CB :: 31.730 CG :: 21.270 CD :: 27.970 CE :: 40.370 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.210 HA :: 3.770 HB2 :: 1.490 HB3 :: 1.490 HG2 :: 0.760 HG3 :: 1.490 HD2 :: 1.290 HD3 :: 1.590 HE2 :: 2.690 HE3 :: 2.800 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 133.500 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.1 C Shift Assignments>> C :: 175.160 CA :: 50.490 CB :: 18.570 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.690 HA :: 4.600 HB :: 1.510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 133.000 Ave N Shift Values>> N :: 123.23(3.7) P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.720 CB :: 31.070 CG :: 26.370 CD :: 50.170 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.130 HB2 :: 1.870 HB3 :: 2.240 HG2 :: 1.950 HG3 :: 2.020 HD2 :: 3.630 HD3 :: 3.860 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) ########################################################################### Overall Results: #Consistent: 104 #Clerical: 0 #Suspicious: 11 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 116 #Suspicious: 0 C Shift Results: #Consistent: 484 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 639 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 1 N Shift Results: #Consistent: 131 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: Y15 HB2 = 0.890(S), Expected = 2.91, Std = 0.3700, ChiSquare = 4.7759e-08 V25 HG1 = -0.290(S), Expected = 0.84, Std = 0.2700, ChiSquare = 2.8493e-05 K27 HB2 = 0.630(S), Expected = 1.79, Std = 0.2500, ChiSquare = 3.4841e-06 K27 HG2 = 0.250(S), Expected = 1.38, Std = 0.2700, ChiSquare = 2.8493e-05 A36 HB = 0.440(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.6991e-04 R55 HD2 = 1.990(S), Expected = 3.13, Std = 0.2300, ChiSquare = 7.1766e-07 R55 HD3 = 2.390(S), Expected = 3.13, Std = 0.2200, ChiSquare = 7.6923e-04 L57 HD2 = -0.670(S), Expected = 0.76, Std = 0.2800, ChiSquare = 3.2707e-07 Y65 HB2 = 1.510(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.5446e-04 A72 HB = 0.520(S), Expected = 1.38, Std = 0.2500, ChiSquare = 5.8171e-04 I79 HD1 = -0.340(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.2695e-04 Y85 HB2 = 1.330(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.9524e-05 Y85 HB3 = 1.580(S), Expected = 2.91, Std = 0.3700, ChiSquare = 3.2490e-04 A91 HB = 0.410(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.0446e-04 A94 HB = -0.730(M), Expected = 1.38, Std = 0.2500, ChiSquare = 3.1734e-17