Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.4 L 0.3 G 0.1 D 0.05 F 0.04 K 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 170.560 CA :: 43.490 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.980 HA3 :: 3.980 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.430 CA :: 62.000 CB :: 69.620 CG2 :: 21.760 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 :: 8.610 HA :: 4.350 HB :: 4.240 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 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 :: 112.970 Ave N Shift Values>> N :: 115.7(5.05) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 Q 0.25 K 0.24 M 0.13 R 0.01 I 0.01 C Shift Assignments>> C :: 173.900 CA :: 54.330 CB :: 29.600 CG :: 35.230 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 :: 8.370 HA :: 4.590 HB2 :: 1.830 HB3 :: 2.013 HG3 :: 2.290 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 :: 124.050 Ave N Shift Values>> N :: 120.68(3.68) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 177.330 CA :: 63.040 CB :: 32.470 CG :: 27.660 CD :: 50.650 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 :: 4.370 HB2 :: 1.940 HB3 :: 2.270 HG2 :: 1.900 HG3 :: 1.970 HD2 :: 3.640 HD3 :: 3.730 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) N Shift Assignments>> N :: 135.180 Ave N Shift Values>> N :: 127.4(10.05) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.N100 1.N100 C Shift Assignments>> C :: 174.870 CA :: 62.980 CB :: 69.880 CG2 :: 22.360 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 :: 8.670 HA :: 4.240 HB :: 4.190 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 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 :: 115.080 Ave N Shift Values>> N :: 115.7(5.05) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 173.320 CA :: 59.240 CB :: 72.250 CG2 :: 21.960 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 :: 7.400 HA :: 4.530 HB :: 4.490 HG21 :: 1.190 HG22 :: 1.190 HG23 :: 1.190 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 :: 111.010 Ave N Shift Values>> N :: 115.7(5.05) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.16 C Shift Assignments>> C :: 176.460 CA :: 51.730 CB :: 18.590 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.150 HA :: 4.210 HB1 :: 0.780 HB2 :: 0.780 HB3 :: 0.780 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.510 Ave N Shift Values>> N :: 123.23(3.7) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 F 0.43 HN Overlap>> 1.K128 1.K128 C Shift Assignments>> C :: 173.480 CA :: 55.700 CB :: 37.910 CD1 :: 131.600 CE1 :: 131.600 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 :: 7.890 HA :: 4.880 HB2 :: 2.880 HB3 :: 3.150 HD1 :: 7.130 HD2 :: 7.130 HE1 :: 7.390 HE2 :: 7.390 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 :: 120.380 Ave N Shift Values>> N :: 120.69(4.18) 1.N9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.61 N 0.2 G 0.17 HN Overlap>> 1.E90 1.R91 1.E90 1.R91 C Shift Assignments>> C :: 173.790 CA :: 51.890 CB :: 42.870 CG :: 177.100 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 :: 8.060 HA :: 6.070(S) HB2 :: 2.930 HB3 :: 2.490 HD21 :: 6.810 HD22 :: 7.630 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 :: 120.070 ND2 :: 112.450 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.31 C Shift Assignments>> C :: 175.660 CA :: 53.740 CB :: 46.520 CG :: 26.680 CD1 :: 25.950 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 :: 9.420 HA :: 5.040 HB2 :: 1.880 HB3 :: 1.690 HG :: 1.000 HD11 :: 1.040 HD12 :: 1.040 HD13 :: 1.040 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 :: 120.200 Ave N Shift Values>> N :: 121.98(4.07) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.47 HN Overlap>> 1.K81 1.K81 C Shift Assignments>> C :: 173.700 CA :: 57.710 CB :: 40.550 CD1 :: 131.880 CE1 :: 130.960 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 :: 9.010 HA :: 4.640 HB2 :: 2.900 HB3 :: 3.090 HD1 :: 6.880 HD2 :: 6.880 HE1 :: 6.940 HE2 :: 6.940 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 :: 124.790 Ave N Shift Values>> N :: 120.69(4.18) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 HN Overlap>> 1.D54 1.D54 1.I77 1.I77 C Shift Assignments>> C :: 173.380 CA :: 58.850 CB :: 33.870 CG1 :: 21.300 CG2 :: 22.010 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 :: 8.210 HA :: 4.950 HB :: 1.640 HG11 :: 0.780 HG12 :: 0.780 HG13 :: 0.780 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 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 :: 124.640 Ave N Shift Values>> N :: 121.02(4.96) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 K 0.07 D 0.06 G 0.05 F 0.05 Y 0.03 I 0.01 C Shift Assignments>> C :: 174.120 CA :: 43.140 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.110 HA2 :: 4.750 HA3 :: 3.860 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.200 Ave N Shift Values>> N :: 109.91(4.29) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.63 N 0.27 E 0.08 C Shift Assignments>> C :: 176.140 CA :: 54.290 CB :: 38.470 CG :: 179.230 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 :: 8.750 HA :: 4.650 HB2 :: 3.810 HB3 :: 2.430 HD21 :: 8.200 HD22 :: 6.880 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 :: 114.430 ND2 :: 111.480 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 A 0.09 R 0.08 HN Overlap>> 1.L65 1.L65 C Shift Assignments>> C :: 177.940 CA :: 54.550 CB :: 41.320 CG :: 27.230 CD1 :: 22.830 CD2 :: 25.710 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 :: 7.600 HA :: 4.040 HB2 :: 1.990 HB3 :: 1.070 HG :: 1.270 HD11 :: 0.560 HD12 :: 0.560 HD13 :: 0.560 HD21 :: 0.410 HD22 :: 0.410 HD23 :: 0.410 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 :: 113.740 Ave N Shift Values>> N :: 121.98(4.07) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.94 D 0.05 C Shift Assignments>> C :: 173.750 CA :: 52.230 CB :: 36.560 CG :: 176.320 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 :: 8.310 HA :: 4.460 HB2 :: 2.470 HB3 :: 3.040 HD21 :: 7.130 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 :: 116.280 ND2 :: 109.450 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 F 0.4 C Shift Assignments>> C :: 175.180 CA :: 57.150 CB :: 38.870 CD1 :: 132.170 CE1 :: 132.060 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 :: 7.020 HA :: 4.490 HB2 :: 2.540 HB3 :: 3.520 HD1 :: 7.250 HD2 :: 7.250 HE1 :: 7.480 HE2 :: 7.480 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 :: 122.710 Ave N Shift Values>> N :: 120.69(4.18) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.3 C Shift Assignments>> C :: 176.270 CA :: 54.460 CB :: 38.610 CG :: 176.380 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 :: 7.570 HA :: 4.530 HB2 :: 2.520 HB3 :: 2.620 HD21 :: 7.270 HD22 :: 6.590 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 :: 118.750 ND2 :: 114.380 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.23 M 0.23 R 0.17 Q 0.1 K 0.1 E 0.07 P 0.06 C Shift Assignments>> C :: 174.810 CA :: 52.610 CB :: 31.070 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 :: 7.490 HA :: 4.270 HB2 :: 1.760 HB3 :: 1.390 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 :: 119.400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.440 CA :: 57.590 CB :: 65.080 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.410 HA :: 4.290 HB2 :: 3.990 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 :: 114.540 Ave N Shift Values>> N :: 116.3(3.95) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 I 0.16 A 0.02 C Shift Assignments>> C :: 176.740 CA :: 57.280 CB :: 15.590 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.430 HA :: 4.240 HB1 :: 1.530 HB2 :: 1.530 HB3 :: 1.530 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.540 Ave N Shift Values>> N :: 123.23(3.7) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.920 CA :: 66.480 CB :: 31.240 CG :: 28.630 CD :: 51.230 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 :: 4.260 HB2 :: 2.420 HB3 :: 1.830 HG2 :: 1.970 HG3 :: 2.170 HD2 :: 3.840 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) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.43 K 0.03 M 0.03 C Shift Assignments>> C :: 179.700 CA :: 59.040 CB :: 29.820 CG :: 37.550 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 :: 7.250 HA :: 4.130 HB2 :: 2.290 HB3 :: 1.810 HG2 :: 2.060 HG3 :: 2.250 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 :: 116.350 Ave N Shift Values>> N :: 120.68(3.68) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.13 G 0.06 C Shift Assignments>> C :: 178.440 CA :: 58.580 CB :: 42.660 CG :: 26.270 CD1 :: 26.130 CD2 :: 23.020 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 :: 8.550 HA :: 4.140 HB2 :: 1.170 HB3 :: 2.090 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 HD21 :: 1.030 HD22 :: 1.030 HD23 :: 1.030 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 :: 120.960 Ave N Shift Values>> N :: 121.98(4.07) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.96 M 0.03 C Shift Assignments>> C :: 179.170 CA :: 61.030 CB :: 32.290 CG :: 25.770 CD :: 29.820 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 :: 8.670 HA :: 3.740 HB2 :: 1.860 HB3 :: 1.970 HG2 :: 1.240 HG3 :: 1.550 HE2 :: 3.060 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 :: 119.580 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.270 CA :: 66.300 CB :: 68.920 CG2 :: 22.160 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 :: 8.000 HA :: 3.980 HB :: 4.300 HG21 :: 1.300 HG22 :: 1.300 HG23 :: 1.300 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 :: 116.490 Ave N Shift Values>> N :: 115.7(5.05) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.04 P 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 176.660 CA :: 47.390 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.960 HA2 :: 3.880 HA3 :: 3.390 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.490 Ave N Shift Values>> N :: 109.91(4.29) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.960 CA :: 64.690 CB :: 37.850 CG1 :: 30.050 CG2 :: 18.510 CD1 :: 14.090 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 :: 8.750 HA :: 3.650 HB :: 1.960 HG12 :: 1.890 HG13 :: 0.770 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 HD11 :: 0.610 HD12 :: 0.610 HD13 :: 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 :: 121.770 Ave N Shift Values>> N :: 121.6(4.72) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.880 CA :: 62.470 CB :: 62.750 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.100 HA :: 4.030 HB2 :: 4.100 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 :: 114.410 Ave N Shift Values>> N :: 116.3(3.95) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.2 Y 0.19 L 0.15 D 0.1 I 0.04 R 0.04 N 0.01 C Shift Assignments>> C :: 178.380 CA :: 57.480 CB :: 41.020 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 :: 4.520 HB2 :: 2.870 HB3 :: 2.610 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 :: 120.250 Ave N Shift Values>> N :: 120.73(4.2) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.910 CA :: 65.680 CB :: 30.990 CG1 :: 20.660 CG2 :: 23.850 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 :: 7.680 HA :: 3.970 HB :: 1.950 HG11 :: 0.620 HG12 :: 0.620 HG13 :: 0.620 HG21 :: 0.870 HG22 :: 0.870 HG23 :: 0.870 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 :: 119.660 Ave N Shift Values>> N :: 121.02(4.96) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 Y 0.38 C Shift Assignments>> C :: 178.820 CA :: 63.860 CB :: 37.850 CD1 :: 131.520 CE1 :: 130.520 CZ :: 128.630 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 :: 7.530 HA :: 4.350 HB2 :: 2.900 HB3 :: 3.460 HD1 :: 7.350 HD2 :: 7.350 HE1 :: 7.120 HE2 :: 7.120 HZ :: 7.160 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 :: 120.020 Ave N Shift Values>> N :: 120.69(4.18) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.25 I 0.07 C Shift Assignments>> C :: 182.320 CA :: 55.850 CB :: 17.930 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.630 HA :: 4.330 HB1 :: 1.680 HB2 :: 1.680 HB3 :: 1.680 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.830 Ave N Shift Values>> N :: 123.23(3.7) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.05 C Shift Assignments>> C :: 176.750 CA :: 58.260 CB :: 32.250 CG :: 25.290 CD :: 29.110 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 :: 8.170 HA :: 4.210 HB2 :: 1.960 HG2 :: 1.580 HD2 :: 1.680 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 :: 119.010 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.71 N 0.28 C Shift Assignments>> C :: 172.100 CA :: 53.690 CB :: 41.100 CG :: 178.060 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 :: 7.600 HA :: 4.770 HB2 :: 3.090 HB3 :: 2.450 HD21 :: 7.570 HD22 :: 7.380 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 :: 117.650 ND2 :: 116.020 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 N 0.2 F 0.2 D 0.16 E 0.06 L 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 174.150 CA :: 55.620 CB :: 38.660 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 :: 7.940 HA :: 4.350 HB2 :: 2.760 HB3 :: 3.090 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 :: 112.880 Ave N Shift Values>> N :: 120.73(4.2) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.32 A 0.01 C Shift Assignments>> C :: 174.840 CA :: 53.640 CB :: 45.620 CG :: 26.700 CD2 :: 24.290 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 :: 7.950 HA :: 4.740 HB2 :: 1.830 HB3 :: 1.170 HG :: 1.660 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 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 :: 119.350 Ave N Shift Values>> N :: 121.98(4.07) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 176.750 CA :: 50.920 CB :: 18.650 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.910 HA :: 4.430 HB1 :: 1.340 HB2 :: 1.340 HB3 :: 1.340 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.870 Ave N Shift Values>> N :: 123.23(3.7) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.000 CA :: 61.230 CB :: 32.210 CG1 :: 22.710 CG2 :: 19.810 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 :: 7.950 HA :: 3.930 HB :: 1.840 HG11 :: 0.500 HG12 :: 0.500 HG13 :: 0.500 HG21 :: 0.730 HG22 :: 0.730 HG23 :: 0.730 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 :: 119.500 Ave N Shift Values>> N :: 121.02(4.96) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.000 CA :: 64.070 CB :: 32.570 CG1 :: 21.260 CG2 :: 22.000 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 :: 8.710 HA :: 3.900 HB :: 1.590 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 HG21 :: 0.860 HG22 :: 0.860 HG23 :: 0.860 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 :: 123.550 Ave N Shift Values>> N :: 121.02(4.96) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.26 R 0.2 D 0.1 F 0.02 K 0.02 Y 0.01 C Shift Assignments>> C :: 173.630 CA :: 53.500 CB :: 43.970 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 :: 7.320 HA :: 4.770 HB2 :: 2.610 HB3 :: 2.700 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 :: 114.580 Ave N Shift Values>> N :: 120.73(4.2) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.100 CA :: 61.580 CB :: 35.160 CG1 :: 21.800 CG2 :: 22.140 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 :: 8.180 HA :: 4.670 HB :: 1.860 HG11 :: 0.950 HG12 :: 0.950 HG13 :: 0.950 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 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 :: 120.680 Ave N Shift Values>> N :: 121.02(4.96) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 R 0.3 Q 0.23 M 0.07 E 0.01 C Shift Assignments>> C :: 174.950 CA :: 54.390 CB :: 32.420 CG :: 27.840 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 :: 9.260 HA :: 4.640 HB2 :: 1.740 HB3 :: 1.790 HG2 :: 1.500 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 :: 126.690 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 A 0.12 C Shift Assignments>> C :: 176.630 CA :: 58.170 CB :: 36.530 CG1 :: 26.550 CG2 :: 17.710 CD1 :: 9.850 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 :: 8.860 HA :: 4.160 HB :: 2.040 HG12 :: 1.470 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 HD11 :: 0.380 HD12 :: 0.380 HD13 :: 0.380 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 :: 124.320 Ave N Shift Values>> N :: 121.6(4.72) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 R 0.07 F 0.01 HN Overlap>> 1.K150 1.K150 C Shift Assignments>> C :: 176.100 CA :: 45.040 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.670 HA2 :: 2.970 HA3 :: 4.060 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.780 Ave N Shift Values>> N :: 109.91(4.29) 1.M46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 Q 0.17 K 0.08 E 0.06 R 0.01 C Shift Assignments>> C :: 177.890 CA :: 59.090 CB :: 32.450 CG :: 32.090 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 :: 8.870 HA :: 4.220 HB2 :: 2.170 HB3 :: 2.270 HG2 :: 2.700 HG3 :: 2.740 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 :: 121.160 Ave N Shift Values>> N :: 120.1(3.88) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 174.710 CA :: 61.780 CB :: 70.350 CG2 :: 22.020 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>> HA :: 4.180 HB :: 4.380 HG21 :: 1.360 HG22 :: 1.360 HG23 :: 1.360 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) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 K 0.18 G 0.12 R 0.1 I 0.06 C Shift Assignments>> C :: 172.270 CA :: 58.200 CB :: 26.540 CD :: 43.307 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 :: 7.770 HA :: 3.380 HB2 :: 1.840 HB3 :: 1.710 HD2 :: 2.920 HD3 :: 2.490 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 :: 111.410 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.97 M 0.02 C Shift Assignments>> C :: 176.340 CA :: 57.860 CB :: 34.280 CG :: 27.390 CD :: 29.380 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 :: 7.080 HA :: 4.400 HB2 :: 1.620 HB3 :: 2.210 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 :: 110.970 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.39 G 0.1 C Shift Assignments>> C :: 173.320 CA :: 54.700 CB :: 42.760 CD1 :: 132.800 CE1 :: 131.380 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 :: 7.340 HA :: 5.240 HB2 :: 3.040 HB3 :: 2.840 HD1 :: 6.930 HD2 :: 6.930 HE1 :: 7.590 HE2 :: 7.590 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 :: 114.000 Ave N Shift Values>> N :: 120.69(4.18) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.03 C Shift Assignments>> C :: 169.470 CA :: 45.450 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.840 HA2 :: 3.780 HA3 :: 4.080 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.020 Ave N Shift Values>> N :: 109.91(4.29) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 G 0.46 C Shift Assignments>> C :: 174.440 CA :: 56.790 CB :: 43.740 CD1 :: 133.400 CE1 :: 118.010 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 :: 9.130 HA :: 5.670 HB2 :: 2.570 HB3 :: 2.940 HD1 :: 7.110 HD2 :: 7.110 HE1 :: 7.030 HE2 :: 7.030 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 :: 116.510 Ave N Shift Values>> N :: 120.79(4.69) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.040 CA :: 60.160 CB :: 34.890 CG1 :: 22.580 CG2 :: 22.650 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 :: 9.210 HA :: 4.580 HB :: 1.650 HG11 :: 0.740 HG12 :: 0.740 HG13 :: 0.740 HG21 :: 0.330 HG22 :: 0.330 HG23 :: 0.330 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 :: 119.610 Ave N Shift Values>> N :: 121.02(4.96) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.28 R 0.13 K 0.1 N 0.06 F 0.04 G 0.03 Y 0.03 HN Overlap>> 1.V12 1.I77 1.V12 1.I77 C Shift Assignments>> C :: 175.220 CA :: 52.650 CB :: 42.510 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 :: 8.130 HA :: 5.470 HB2 :: 2.820 HB3 :: 2.320 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 :: 124.680 Ave N Shift Values>> N :: 120.73(4.2) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 Y 0.36 G 0.03 C Shift Assignments>> C :: 176.100 CA :: 57.540 CB :: 42.640 CD1 :: 131.190 CE1 :: 130.700 CZ :: 129.090 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 :: 9.160 HA :: 4.850 HB2 :: 2.760 HB3 :: 3.480 HD1 :: 7.240 HD2 :: 7.240 HE1 :: 6.610 HE2 :: 6.610 HZ :: 5.790 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 :: 119.720 Ave N Shift Values>> N :: 120.69(4.18) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 Q 0.19 M 0.16 K 0.15 I 0.05 C Shift Assignments>> C :: 176.040 CA :: 57.960 CB :: 30.380 CG :: 35.200 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 :: 10.330 HA :: 4.270 HB2 :: 2.140 HG2 :: 2.460 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 :: 119.560 Ave N Shift Values>> N :: 120.68(3.68) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.63 T 0.36 C Shift Assignments>> C :: 172.670 CA :: 55.680 CB :: 67.220 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.270 HA :: 4.090 HB2 :: 3.930 HB3 :: 4.080 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 :: 108.270 Ave N Shift Values>> N :: 116.3(3.95) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.47 I 0.02 C Shift Assignments>> C :: 179.870 CA :: 54.370 CB :: 18.020 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.900 HA :: 3.530 HB1 :: 1.270 HB2 :: 1.270 HB3 :: 1.270 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.030 Ave N Shift Values>> N :: 123.23(3.7) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 E 0.36 K 0.07 Q 0.01 C Shift Assignments>> C :: 178.900 CA :: 60.050 CB :: 28.540 CG :: 36.680 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 :: 8.410 HA :: 3.890 HB2 :: 1.850 HB3 :: 2.000 HG2 :: 2.390 HG3 :: 2.230 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 :: 118.160 Ave N Shift Values>> N :: 120.68(3.68) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.15 L 0.13 K 0.09 I 0.05 N 0.04 R 0.01 C Shift Assignments>> C :: 176.460 CA :: 56.880 CB :: 40.300 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 :: 7.680 HA :: 4.160 HB2 :: 2.550 HB3 :: 2.690 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 :: 121.710 Ave N Shift Values>> N :: 120.73(4.2) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 R 0.4 K 0.06 G 0.02 C Shift Assignments>> C :: 177.330 CA :: 58.470 CB :: 42.040 CG :: 27.210 CD1 :: 26.030 CD2 :: 27.280 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 :: 7.010 HA :: 2.890 HB2 :: 1.900 HB3 :: 1.360 HG :: 1.490 HD11 :: 0.980 HD12 :: 0.980 HD13 :: 0.980 HD21 :: 0.980 HD22 :: 0.980 HD23 :: 0.980 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 :: 119.940 Ave N Shift Values>> N :: 121.98(4.07) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 K 0.27 Q 0.26 I 0.09 R 0.03 M 0.01 C Shift Assignments>> C :: 179.160 CA :: 58.490 CB :: 28.420 CG :: 34.880 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 :: 7.930 HA :: 3.860 HB2 :: 2.000 HG2 :: 2.370 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 :: 116.710 Ave N Shift Values>> N :: 120.68(3.68) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.95 M 0.04 C Shift Assignments>> C :: 179.730 CA :: 59.360 CB :: 32.420 CG :: 25.740 CD :: 29.500 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 :: 7.680 HA :: 3.910 HB2 :: 1.840 HB3 :: 1.930 HG2 :: 1.380 HE2 :: 2.950 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 :: 118.920 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.42 L 0.02 V 0.02 I 0.01 T 0.01 C Shift Assignments>> C :: 178.980 CA :: 55.110 CB :: 19.580 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.020 HA :: 3.810 HB1 :: 1.040 HB2 :: 1.040 HB3 :: 1.040 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.370 Ave N Shift Values>> N :: 123.23(3.7) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 K 0.31 R 0.17 G 0.02 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> C :: 178.150 CA :: 56.710 CB :: 42.500 CG :: 27.190 CD1 :: 26.210 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 :: 7.490 HA :: 3.990 HB2 :: 1.610 HB3 :: 1.870 HG :: 1.780 HD11 :: 0.930 HD12 :: 0.930 HD13 :: 0.930 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 :: 113.740 Ave N Shift Values>> N :: 121.98(4.07) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 Q 0.24 K 0.19 M 0.17 I 0.02 R 0.01 C Shift Assignments>> C :: 177.140 CA :: 56.630 CB :: 30.190 CG :: 35.020 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 :: 7.380 HA :: 4.320 HB2 :: 1.960 HB3 :: 2.070 HG2 :: 2.380 HG3 :: 2.650 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 :: 116.080 Ave N Shift Values>> N :: 120.68(3.68) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.14 A 0.07 G 0.01 C Shift Assignments>> C :: 176.800 CA :: 55.400 CB :: 41.960 CG :: 26.010 CD1 :: 26.820 CD2 :: 22.560 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 :: 7.470 HA :: 4.400 HB2 :: 2.130 HB3 :: 1.300 HG :: 2.180 HD11 :: 1.030 HD12 :: 1.030 HD13 :: 1.030 HD21 :: 0.900 HD22 :: 0.900 HD23 :: 0.900 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 :: 120.710 Ave N Shift Values>> N :: 121.98(4.07) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.580 CA :: 60.470 CB :: 71.210 CG2 :: 21.380 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 :: 8.160 HA :: 4.660 HB :: 4.220 HG21 :: 1.220 HG22 :: 1.220 HG23 :: 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 :: 112.570 Ave N Shift Values>> N :: 115.7(5.05) 1.G69 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 :: 175.040 CA :: 46.320 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.680 HA2 :: 3.790 HA3 :: 3.900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.010 Ave N Shift Values>> N :: 109.91(4.29) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 A 0.07 G 0.01 C Shift Assignments>> C :: 175.970 CA :: 54.910 CB :: 41.690 CG :: 26.270 CD1 :: 22.840 CD2 :: 22.840 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 :: 8.300 HA :: 4.100 HB2 :: 1.820 HB3 :: 0.840 HG :: 1.390 HD11 :: 0.570 HD12 :: 0.570 HD13 :: 0.570 HD21 :: 0.580 HD22 :: 0.580 HD23 :: 0.580 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 :: 120.520 Ave N Shift Values>> N :: 121.98(4.07) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.33 M 0.02 G 0.01 C Shift Assignments>> C :: 175.700 CA :: 54.870 CB :: 35.320 CG :: 25.150 CD :: 29.360 CE :: 41.990 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 :: 8.160 HA :: 5.040 HB2 :: 1.550 HB3 :: 1.360 HG2 :: 1.240 HG3 :: 1.000 HD2 :: 1.510 HE2 :: 2.860 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 :: 122.960 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.140 CA :: 61.330 CB :: 34.170 CG1 :: 22.190 CG2 :: 20.990 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 :: 8.410 HA :: 3.910 HB :: 1.630 HG11 :: 0.590 HG12 :: 0.590 HG13 :: 0.590 HG21 :: 0.530 HG22 :: 0.530 HG23 :: 0.530 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 :: 120.380 Ave N Shift Values>> N :: 121.02(4.96) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 F 0.42 C Shift Assignments>> C :: 175.690 CA :: 58.510 CB :: 37.220 CD1 :: 131.950 CE1 :: 131.330 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 :: 9.540 HA :: 4.470 HB2 :: 2.980 HB3 :: 3.410 HD1 :: 7.210 HD2 :: 7.210 HE1 :: 6.760 HE2 :: 6.760 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 :: 128.890 Ave N Shift Values>> N :: 120.69(4.18) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 173.270 CA :: 45.480 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.670 HA2 :: 3.510 HA3 :: 4.320 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.120 Ave N Shift Values>> N :: 109.91(4.29) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 D 0.25 C Shift Assignments>> C :: 174.890 CA :: 51.330 CB :: 39.190 CG :: 176.640 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 :: 7.490 HA :: 4.890 HB2 :: 2.680 HB3 :: 2.940 HD21 :: 6.560 HD22 :: 6.880 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 :: 120.300 ND2 :: 108.360 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 K 0.19 Q 0.09 M 0.07 I 0.07 C Shift Assignments>> C :: 176.450 CA :: 55.930 CB :: 29.340 CG :: 36.210 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 :: 9.060 HA :: 4.590 HB2 :: 1.860 HB3 :: 2.000 HG2 :: 2.150 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 :: 124.230 Ave N Shift Values>> N :: 120.68(3.68) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.D54 1.V12 1.D54 1.V12 C Shift Assignments>> C :: 174.680 CA :: 61.550 CB :: 38.220 CG1 :: 25.560 CG2 :: 18.579 CD1 :: 13.360 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 :: 8.200 HA :: 4.510 HB :: 1.860 HG12 :: 1.350 HG13 :: 1.060 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 HD11 :: 0.620 HD12 :: 0.620 HD13 :: 0.620 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 :: 124.640 Ave N Shift Values>> N :: 121.6(4.72) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.97 A 0.01 C Shift Assignments>> C :: 175.200 CA :: 54.430 CB :: 34.380 CG :: 25.060 CD :: 26.170 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 :: 7.800 HA :: 4.740 HB2 :: 1.770 HB3 :: 1.660 HG2 :: 1.410 HG3 :: 1.460 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 :: 123.470 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 R 0.23 G 0.21 C Shift Assignments>> C :: 177.080 CA :: 53.960 CB :: 43.780 CG :: 27.810 CD1 :: 26.300 CD2 :: 25.210 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 :: 8.920 HA :: 5.490 HB2 :: 1.980 HB3 :: 1.480 HG :: 1.820 HD11 :: 1.090 HD12 :: 1.090 HD13 :: 1.090 HD21 :: 1.040 HD22 :: 1.040 HD23 :: 1.040 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 :: 126.640 Ave N Shift Values>> N :: 121.98(4.07) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 E 0.29 Q 0.02 C Shift Assignments>> C :: 174.890 CA :: 54.970 CB :: 34.080 CG :: 35.960 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 :: 9.060 HA :: 4.730 HB2 :: 1.930 HB3 :: 2.130 HG2 :: 2.190 HG3 :: 2.290 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 :: 119.530 Ave N Shift Values>> N :: 120.68(3.68) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 K 0.22 R 0.14 H 0.14 Q 0.11 E 0.07 V 0.01 HN Overlap>> 1.F11 1.F11 C Shift Assignments>> C :: 174.860 CA :: 55.080 CB :: 32.400 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 :: 9.050 HA :: 4.770 HB2 :: 1.780 HB3 :: 1.990 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 :: 124.770 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.610 CA :: 63.190 CB :: 32.530 CG :: 28.100 CD :: 51.530 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 :: 4.500 HB2 :: 2.490 HB3 :: 2.040 HG2 :: 2.280 HG3 :: 2.110 HD2 :: 3.910 HD3 :: 4.350 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) N Shift Assignments>> N :: 138.060 Ave N Shift Values>> N :: 127.4(10.05) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.92 M 0.07 C Shift Assignments>> C :: 177.300 CA :: 56.480 CB :: 33.070 CG :: 24.670 CD :: 29.040 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 :: 8.560 HA :: 4.310 HB2 :: 1.750 HB3 :: 1.820 HG2 :: 1.400 HG3 :: 1.370 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 :: 122.480 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.09 R 0.02 C Shift Assignments>> C :: 174.270 CA :: 45.460 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.510 HA2 :: 3.960 HA3 :: 4.000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.290 Ave N Shift Values>> N :: 109.91(4.29) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 M 0.08 HN Overlap>> 1.K111 1.K111 C Shift Assignments>> C :: 176.540 CA :: 56.590 CB :: 32.980 CG :: 24.500 CD :: 29.020 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 :: 8.370 HA :: 4.300 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 :: 121.220 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.14 N 0.1 F 0.09 Y 0.07 R 0.04 HN Overlap>> 1.K169 1.K169 1.A141 1.A141 C Shift Assignments>> C :: 176.370 CA :: 54.290 CB :: 41.240 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 :: 8.460 HA :: 4.650 HB2 :: 2.620 HB3 :: 2.760 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 :: 121.460 Ave N Shift Values>> N :: 120.73(4.2) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.200 CA :: 58.930 CB :: 63.880 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.370 HA :: 4.380 HB2 :: 3.880 HB3 :: 3.990 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 :: 117.440 Ave N Shift Values>> N :: 116.3(3.95) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.05 C Shift Assignments>> C :: 177.410 CA :: 58.780 CB :: 32.420 CG :: 24.750 CD :: 28.890 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 :: 8.450 HA :: 4.060 HB2 :: 1.840 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 :: 123.930 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.05 C Shift Assignments>> C :: 178.910 CA :: 58.630 CB :: 32.470 CG :: 24.840 CD :: 28.970 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 :: 8.150 HA :: 4.120 HB2 :: 1.820 HB3 :: 1.800 HG2 :: 1.440 HG3 :: 1.380 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 :: 119.370 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.26 K 0.13 Q 0.05 M 0.03 HN Overlap>> 1.R91 1.N9 1.R91 1.N9 C Shift Assignments>> C :: 178.110 CA :: 58.980 CB :: 29.160 CG :: 36.210 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 :: 8.010 HA :: 4.070 HB2 :: 2.100 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 :: 120.090 Ave N Shift Values>> N :: 120.68(3.68) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.21 R 0.19 H 0.15 Q 0.13 K 0.09 I 0.07 M 0.07 V 0.05 HN Overlap>> 1.E90 1.E90 1.N9 1.N9 C Shift Assignments>> C :: 179.670 CA :: 58.750 CB :: 30.340 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 :: 8.060 HA :: 3.920 HB2 :: 1.790 HB3 :: 1.850 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 :: 120.070 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 D 0.11 L 0.09 I 0.08 K 0.04 N 0.03 E 0.01 HN Overlap>> 1.A133 1.A133 C Shift Assignments>> C :: 178.070 CA :: 57.350 CB :: 39.870 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 :: 4.340 HB2 :: 2.650 HB3 :: 2.760 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 :: 122.960 Ave N Shift Values>> N :: 120.73(4.2) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.38 I 0.01 C Shift Assignments>> C :: 177.080 CA :: 53.880 CB :: 18.440 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.690 HA :: 4.290 HB1 :: 1.480 HB2 :: 1.480 HB3 :: 1.480 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.230 Ave N Shift Values>> N :: 123.23(3.7) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.25 M 0.03 Q 0.01 C Shift Assignments>> C :: 174.100 CA :: 54.600 CB :: 30.550 CG :: 27.250 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 :: 7.540 HA :: 4.680 HB2 :: 1.990 HB3 :: 1.690 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 :: 112.760 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.650 CA :: 62.280 CB :: 70.350 CG2 :: 21.320 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 :: 7.790 HA :: 5.540 HB :: 4.180 HG21 :: 1.250 HG22 :: 1.250 HG23 :: 1.250 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 :: 117.450 Ave N Shift Values>> N :: 115.7(5.05) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.2 A 0.04 C Shift Assignments>> C :: 174.900 CA :: 52.570 CB :: 45.270 CG :: 27.080 CD1 :: 23.200 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 :: 9.410 HA :: 5.260 HB2 :: 1.720 HB3 :: 1.400 HG :: 0.950 HD11 :: 0.630 HD12 :: 0.630 HD13 :: 0.630 HD21 :: 0.640 HD22 :: 0.640 HD23 :: 0.640 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 :: 124.740 Ave N Shift Values>> N :: 121.98(4.07) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.3 R 0.06 A 0.03 C Shift Assignments>> C :: 174.700 CA :: 53.610 CB :: 44.940 CG :: 27.660 CD1 :: 23.470 CD2 :: 26.100 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 :: 9.210 HA :: 4.830 HB2 :: 1.290 HB3 :: 1.630 HG :: 1.210 HD11 :: 0.390 HD12 :: 0.390 HD13 :: 0.390 HD21 :: 0.620 HD22 :: 0.620 HD23 :: 0.620 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 :: 123.630 Ave N Shift Values>> N :: 121.98(4.07) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.08 L 0.04 C Shift Assignments>> C :: 175.600 CA :: 49.910 CB :: 21.080 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.340 HA :: 5.510 HB1 :: 1.140 HB2 :: 1.140 HB3 :: 1.140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.480 Ave N Shift Values>> N :: 123.23(3.7) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 G 0.05 R 0.02 C Shift Assignments>> C :: 175.420 CA :: 54.590 CB :: 36.380 CG :: 25.720 CE :: 41.910 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 :: 9.030 HA :: 5.130 HB2 :: 1.850 HB3 :: 2.050 HG2 :: 1.340 HG3 :: 1.430 HE2 :: 2.510 HE3 :: 2.730 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 :: 118.490 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N100 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.68 N 0.22 E 0.08 HN Overlap>> 1.T5 1.T5 C Shift Assignments>> C :: 174.870 CA :: 54.070 CB :: 38.610 CG :: 179.460(A) 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 :: 8.670 HA :: 4.430 HB2 :: 2.760 HB3 :: 3.640 HD21 :: 8.030 HD22 :: 6.930 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 :: 115.070 ND2 :: 112.670 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.03 A 0.01 K 0.01 C Shift Assignments>> C :: 175.350 CA :: 52.930 CB :: 40.720 CG :: 27.050 CD1 :: 26.950 CD2 :: 24.440 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 :: 7.810 HA :: 4.250 HB2 :: 1.290 HB3 :: 1.160 HG :: 1.500 HD11 :: 0.650 HD12 :: 0.650 HD13 :: 0.650 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 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 :: 114.610 Ave N Shift Values>> N :: 121.98(4.07) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 177.920 CA :: 62.520 CB :: 31.670 CG :: 28.110 CD :: 49.760 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 :: 4.380 HB2 :: 2.430 HB3 :: 1.950 HG2 :: 2.080 HD2 :: 3.290 HD3 :: 3.800 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) N Shift Assignments>> N :: 132.800 Ave N Shift Values>> N :: 127.4(10.05) 1.Y103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.120 CA :: 59.910 CB :: 37.740 CD1 :: 132.720 CE1 :: 118.340 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 :: 8.450 HA :: 4.310 HB2 :: 3.070 HB3 :: 3.140 HD1 :: 7.160 HD2 :: 7.160 HE1 :: 6.850 HE2 :: 6.850 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 :: 123.340 Ave N Shift Values>> N :: 120.79(4.69) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.37 M 0.05 G 0.01 C Shift Assignments>> C :: 176.270 CA :: 55.930 CB :: 31.210 CG :: 24.640 CD :: 29.240 CE :: 42.100 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 :: 8.120 HA :: 4.310 HB2 :: 1.730 HB3 :: 1.920 HG2 :: 1.280 HD2 :: 1.660 HD3 :: 1.630 HE2 :: 3.050 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 :: 115.900 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.080 CA :: 62.190 CB :: 31.920 CG1 :: 22.930 CG2 :: 21.170 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 :: 7.200 HA :: 4.290 HB :: 2.090 HG11 :: 1.100 HG12 :: 1.100 HG13 :: 1.100 HG21 :: 0.890 HG22 :: 0.890 HG23 :: 0.890 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 :: 120.980 Ave N Shift Values>> N :: 121.02(4.96) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 A 0.02 C Shift Assignments>> C :: 175.610 CA :: 58.960 CB :: 72.280 CG2 :: 21.730 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 :: 7.820 HA :: 4.770 HB :: 4.730 HG21 :: 1.310 HG22 :: 1.310 HG23 :: 1.310 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 :: 115.170 Ave N Shift Values>> N :: 115.7(5.05) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 Q 0.27 E 0.2 I 0.12 R 0.06 P 0.03 M 0.01 C Shift Assignments>> C :: 177.880 CA :: 60.070 CB :: 28.530 CG :: 34.250 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 :: 9.230 HA :: 3.800 HB2 :: 2.170 HG2 :: 2.350 HG3 :: 2.370 HE21 :: 7.070 HE22 :: 6.630 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 :: 120.720 NE2 :: 112.200 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 D 0.11 L 0.11 I 0.07 K 0.07 N 0.02 C Shift Assignments>> C :: 178.830 CA :: 57.350 CB :: 40.110 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 :: 8.370 HA :: 4.340 HB2 :: 2.650 HB3 :: 2.560 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 :: 117.170 Ave N Shift Values>> N :: 120.73(4.2) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.19 K 0.14 Q 0.09 M 0.06 C Shift Assignments>> C :: 179.770 CA :: 59.040 CB :: 29.730 CG :: 35.860 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 :: 7.780 HA :: 4.050 HB2 :: 1.900 HB3 :: 2.300 HG2 :: 2.340 HG3 :: 2.430 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 :: 119.780 Ave N Shift Values>> N :: 120.68(3.68) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 K 0.27 R 0.22 G 0.03 C Shift Assignments>> C :: 178.490 CA :: 57.680 CB :: 42.590 CG :: 27.110 CD1 :: 26.580 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 :: 7.640 HA :: 4.080 HB2 :: 1.420 HB3 :: 2.110 HG :: 1.830 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 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 :: 117.780 Ave N Shift Values>> N :: 121.98(4.07) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.95 M 0.04 HN Overlap>> 1.K85 1.K85 C Shift Assignments>> C :: 177.000 CA :: 58.490 CB :: 32.200 CG :: 25.360 CD :: 29.020 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 :: 8.340 HA :: 3.850 HB2 :: 1.870 HB3 :: 1.970 HG2 :: 1.500 HG3 :: 1.580 HE2 :: 2.980 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 :: 121.250 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 K 0.23 Q 0.2 I 0.09 M 0.05 R 0.01 C Shift Assignments>> C :: 177.720 CA :: 58.170 CB :: 29.170 CG :: 35.260 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 :: 7.180 HA :: 4.070 HB2 :: 2.100 HB3 :: 2.130 HG2 :: 2.350 HG3 :: 2.510 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 :: 114.420 Ave N Shift Values>> N :: 120.68(3.68) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.820 CA :: 64.380 CB :: 32.940 CG1 :: 21.610 CG2 :: 20.690 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 :: 6.930 HA :: 3.720 HB :: 1.570 HG11 :: 0.820 HG12 :: 0.820 HG13 :: 0.820 HG21 :: 0.080 HG22 :: 0.080 HG23 :: 0.080 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 :: 116.710 Ave N Shift Values>> N :: 121.02(4.96) 1.F114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.47 C Shift Assignments>> C :: 176.380 CA :: 55.210 CB :: 37.650 CD1 :: 132.670 CE1 :: 129.940 CZ :: 128.580 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 :: 8.180 HA :: 5.100 HB2 :: 2.870 HB3 :: 2.980 HD1 :: 7.480 HD2 :: 7.480 HE1 :: 6.940 HE2 :: 6.940 HZ :: 6.990 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 :: 120.880 Ave N Shift Values>> N :: 120.69(4.18) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.28 E 0.26 I 0.08 R 0.04 M 0.03 C Shift Assignments>> C :: 176.930 CA :: 59.130 CB :: 29.000 CG :: 34.490 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 :: 7.880 HA :: 4.370 HB2 :: 2.070 HG2 :: 2.390 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 :: 120.050 Ave N Shift Values>> N :: 120.68(3.68) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.29 Y 0.08 F 0.08 L 0.07 C Shift Assignments>> C :: 176.420 CA :: 53.090 CB :: 39.410 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 :: 9.190 HA :: 4.720 HB2 :: 2.840 HB3 :: 2.940 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 :: 115.770 Ave N Shift Values>> N :: 120.73(4.2) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.31 C Shift Assignments>> C :: 177.020 CA :: 53.330 CB :: 18.420 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.610 HA :: 3.520 HB1 :: 0.890 HB2 :: 0.890 HB3 :: 0.890 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.920 Ave N Shift Values>> N :: 123.23(3.7) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.29 L 0.01 C Shift Assignments>> C :: 178.290 CA :: 53.420 CB :: 19.620 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.170 HA :: 4.290 HB1 :: 1.210 HB2 :: 1.210 HB3 :: 1.210 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.720 Ave N Shift Values>> N :: 123.23(3.7) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 E 0.4 Q 0.03 I 0.01 C Shift Assignments>> C :: 173.330 CA :: 55.780 CB :: 33.260 CG :: 36.130 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 :: 7.680 HA :: 4.410 HB2 :: 1.820 HB3 :: 1.870 HG2 :: 2.040 HG3 :: 2.170 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 :: 114.610 Ave N Shift Values>> N :: 120.68(3.68) 1.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.710 CA :: 60.480 CB :: 40.430 CG1 :: 28.320 CG2 :: 17.890 CD1 :: 13.100 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 :: 8.680 HA :: 4.650 HB :: 1.700 HG12 :: 1.460 HG13 :: 0.880 HG21 :: 0.730 HG22 :: 0.730 HG23 :: 0.730 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 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 :: 124.880 Ave N Shift Values>> N :: 121.6(4.72) 1.R121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.22 G 0.17 C Shift Assignments>> C :: 175.070 CA :: 54.710 CB :: 32.230 CG :: 27.670 CD :: 43.580 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 :: 9.210 HA :: 4.830 HB2 :: 1.820 HB3 :: 1.930 HG2 :: 1.500 HD2 :: 3.310 HD3 :: 3.110 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 :: 127.350 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.25 G 0.07 C Shift Assignments>> C :: 176.980 CA :: 55.120 CB :: 43.010 CG :: 27.780 CD1 :: 24.910 CD2 :: 25.510 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 :: 8.940 HA :: 4.520 HB2 :: 1.440 HB3 :: 1.740 HG :: 1.500 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 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 :: 126.780 Ave N Shift Values>> N :: 121.98(4.07) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.130 CA :: 62.960 CB :: 32.470 CG1 :: 21.500 CG2 :: 21.290 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 :: 8.320 HA :: 4.240 HB :: 2.020 HG11 :: 1.030 HG12 :: 1.030 HG13 :: 1.030 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 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 :: 125.780 Ave N Shift Values>> N :: 121.02(4.96) 1.S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.490 CA :: 57.190 CB :: 65.460 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.560 HA :: 4.940 HB2 :: 3.710 HB3 :: 3.590 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 :: 121.810 Ave N Shift Values>> N :: 116.3(3.95) 1.K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 Q 0.11 M 0.11 R 0.04 I 0.02 E 0.02 V 0.02 HN Overlap>> 1.A133 1.A133 C Shift Assignments>> C :: 176.200 CA :: 56.240 CB :: 34.650 CG :: 24.820 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 :: 8.670 HA :: 4.510 HB2 :: 1.720 HB3 :: 1.790 HG2 :: 1.430 HG3 :: 1.390 HE2 :: 2.950 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 :: 123.010 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 F 0.16 N 0.15 Y 0.15 L 0.14 K 0.05 I 0.01 C Shift Assignments>> C :: 176.000 CA :: 55.080 CB :: 40.110 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 :: 9.190 HA :: 4.440 HB2 :: 2.760 HB3 :: 2.890 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 :: 124.930 Ave N Shift Values>> N :: 120.73(4.2) 1.G127 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 :: 174.240 CA :: 45.530 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.590 HA2 :: 3.710 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 :: 105.340 Ave N Shift Values>> N :: 109.91(4.29) 1.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.05 HN Overlap>> 1.F8 1.F8 C Shift Assignments>> C :: 176.060 CA :: 55.360 CB :: 33.870 CG :: 24.560 CD :: 29.020 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 :: 7.950 HA :: 4.580 HB2 :: 1.810 HB3 :: 1.870 HG2 :: 1.400 HG3 :: 1.430 HD2 :: 1.700 HD3 :: 1.670 HE2 :: 3.140 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 :: 120.290 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.270 CA :: 58.480 CB :: 64.290 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.620 HA :: 4.510 HB2 :: 3.960 HB3 :: 4.040 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 :: 117.940 Ave N Shift Values>> N :: 116.3(3.95) 1.K130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 M 0.05 C Shift Assignments>> C :: 177.260 CA :: 55.490 CB :: 32.730 CG :: 24.730 CD :: 28.510 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 :: 8.600 HA :: 4.490 HB2 :: 1.630 HB3 :: 2.000 HG2 :: 1.450 HD2 :: 1.670 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 :: 122.290 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 172.740 CA :: 46.500 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.930 HA2 :: 3.790 HA3 :: 4.020 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.600 Ave N Shift Values>> N :: 109.91(4.29) 1.I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 G 0.09 A 0.05 C Shift Assignments>> C :: 174.370 CA :: 58.750 CB :: 42.500 CG1 :: 26.670 CG2 :: 18.280 CD1 :: 13.870 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 :: 7.170 HA :: 5.300 HB :: 1.600 HG12 :: 1.390 HG13 :: 1.380 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 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 :: 113.460 Ave N Shift Values>> N :: 121.6(4.72) 1.A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 A 0.18 K 0.08 M 0.08 P 0.06 R 0.01 HN Overlap>> 1.K125 1.K125 1.D92 1.D92 C Shift Assignments>> C :: 174.680 CA :: 50.530 CB :: 23.450 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 :: 5.210 HB1 :: 1.040 HB2 :: 1.040 HB3 :: 1.040 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.990 Ave N Shift Values>> N :: 123.23(3.7) 1.Y134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.050 CA :: 57.540 CB :: 40.040 CD1 :: 132.870 CE1 :: 118.300 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 :: 5.080 HB2 :: 2.710 HB3 :: 2.770 HD1 :: 6.940 HD2 :: 6.940 HE1 :: 6.750 HE2 :: 6.750 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 :: 119.490 Ave N Shift Values>> N :: 120.79(4.69) 1.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.180 CA :: 60.040 CB :: 38.580 CG1 :: 26.490 CG2 :: 20.410 CD1 :: 13.730 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 :: 9.510 HA :: 4.330 HB :: 1.650 HG12 :: 0.910 HG13 :: 0.640 HG21 :: 0.100 HG22 :: 0.100 HG23 :: 0.100 HD11 :: 0.030 HD12 :: 0.030 HD13 :: 0.030 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 :: 124.280 Ave N Shift Values>> N :: 121.6(4.72) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 E 0.4 Q 0.07 K 0.02 I 0.01 C Shift Assignments>> C :: 175.730 CA :: 55.330 CB :: 32.280 CG :: 35.810 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 :: 8.940 HA :: 4.910 HB2 :: 1.940 HG2 :: 2.250 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 :: 127.990 Ave N Shift Values>> N :: 120.68(3.68) 1.F137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.45 C Shift Assignments>> C :: 175.100 CA :: 58.970 CB :: 41.370 CD1 :: 131.650 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 :: 9.280 HA :: 4.520 HB2 :: 3.190 HB3 :: 3.630 HD1 :: 7.490 HD2 :: 7.490 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 :: 125.560 Ave N Shift Values>> N :: 120.69(4.18) 1.K138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.97 M 0.02 C Shift Assignments>> C :: 177.480 CA :: 59.460 CB :: 33.400 CG :: 26.650 CD :: 29.210 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 :: 10.510(S) HA :: 4.140 HB2 :: 2.070 HB3 :: 2.090 HG2 :: 1.600 HG3 :: 1.680 HD2 :: 1.780 HD3 :: 1.830 HE2 :: 3.000 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 :: 119.590 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 A 0.09 C Shift Assignments>> C :: 174.400 CA :: 58.540 CB :: 73.350 CG2 :: 21.880 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 :: 7.290 HA :: 4.760 HB :: 4.630 HG21 :: 1.250 HG22 :: 1.250 HG23 :: 1.250 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 :: 102.010 Ave N Shift Values>> N :: 115.7(5.05) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 I 0.25 K 0.16 Q 0.1 M 0.02 C Shift Assignments>> C :: 178.100 CA :: 59.750 CB :: 29.110 CG :: 35.620 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 :: 9.340 HA :: 4.020 HB2 :: 2.090 HG2 :: 2.330 HG3 :: 2.500 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 :: 123.600 Ave N Shift Values>> N :: 120.68(3.68) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.04 HN Overlap>> 1.K169 1.D86 1.K169 1.D86 C Shift Assignments>> C :: 180.600 CA :: 55.190 CB :: 18.070 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.470 HA :: 4.140 HB1 :: 1.430 HB2 :: 1.430 HB3 :: 1.430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.410 Ave N Shift Values>> N :: 123.23(3.7) 1.D142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.14 D 0.13 K 0.12 I 0.05 N 0.02 R 0.01 HN Overlap>> 1.S161 1.S161 C Shift Assignments>> C :: 178.680 CA :: 57.160 CB :: 40.530 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 :: 7.940 HA :: 4.340 HB2 :: 2.810 HB3 :: 2.900 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 :: 118.940 Ave N Shift Values>> N :: 120.73(4.2) 1.A143 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.63 A 0.31 I 0.04 C Shift Assignments>> C :: 178.300 CA :: 55.090 CB :: 17.290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.350 HA :: 2.800(S) HB1 :: 1.440 HB2 :: 1.440 HB3 :: 1.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.630 Ave N Shift Values>> N :: 123.23(3.7) 1.E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.3 E 0.23 I 0.06 R 0.05 M 0.02 C Shift Assignments>> C :: 178.290 CA :: 58.750 CB :: 28.520 CG :: 34.390 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 :: 8.380 HA :: 4.190 HB2 :: 2.040 HB3 :: 2.060 HG2 :: 2.480 HG3 :: 2.520 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 :: 117.870 Ave N Shift Values>> N :: 120.68(3.68) 1.K145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 M 0.1 C Shift Assignments>> C :: 178.790 CA :: 59.310 CB :: 32.350 CG :: 24.290 CD :: 29.790 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 :: 8.050 HA :: 4.040 HB2 :: 1.860 HB3 :: 1.980 HG2 :: 1.300 HG3 :: 1.460 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 :: 119.430 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.220 CA :: 68.250 CB :: 67.730 CG2 :: 23.050 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 :: 7.410 HA :: 3.830 HB :: 3.730 HG21 :: 1.340 HG22 :: 1.340 HG23 :: 1.340 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 :: 115.520 Ave N Shift Values>> N :: 115.7(5.05) 1.F147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 F 0.22 Y 0.2 C Shift Assignments>> C :: 176.670 CA :: 61.900 CB :: 39.230 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 :: 8.450 HA :: 3.680 HB2 :: 3.260 HB3 :: 2.780 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 :: 122.580 Ave N Shift Values>> N :: 120.69(4.18) 1.E148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 K 0.16 Q 0.12 I 0.11 M 0.09 C Shift Assignments>> C :: 179.180 CA :: 58.300 CB :: 29.900 CG :: 35.700 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 :: 8.020 HA :: 4.010 HB2 :: 2.220 HB3 :: 2.150 HG2 :: 2.530 HG3 :: 2.780 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 :: 113.980 Ave N Shift Values>> N :: 120.68(3.68) 1.E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 E 0.17 H 0.14 K 0.13 M 0.13 Q 0.09 V 0.06 I 0.03 C Shift Assignments>> C :: 178.840 CA :: 58.250 CB :: 31.270 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 :: 4.370 HB2 :: 2.080 HB3 :: 2.100 HG2 :: 2.620 HG3 :: 2.320 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 :: 115.460 Ave N Shift Values>> N :: 120.68(3.68) 1.K150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.95 M 0.04 HN Overlap>> 1.G45 1.G45 C Shift Assignments>> C :: 176.780 CA :: 59.360 CB :: 32.090 CG :: 26.220 CD :: 29.770 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 :: 8.650 HA :: 4.600 HB2 :: 1.940 HB3 :: 1.980 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 :: 114.840 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 R 0.25 Q 0.24 M 0.09 E 0.03 C Shift Assignments>> C :: 177.680 CA :: 57.160 CB :: 28.520 CG :: 32.400 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 :: 7.090 HA :: 3.930 HB2 :: 1.900 HB3 :: 2.000 HG2 :: 2.400 HG3 :: 2.420 HE21 :: 7.070 HE22 :: 6.630 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 :: 120.770 NE2 :: 112.200 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.780 CA :: 46.560 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.220 HA2 :: 3.980 HA3 :: 4.020 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.110 Ave N Shift Values>> N :: 109.91(4.29) 1.T153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.490 CA :: 64.560 CB :: 69.580 CG2 :: 20.830 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 :: 3.960 HB :: 3.990 HG21 :: 1.070 HG22 :: 1.070 HG23 :: 1.070 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 :: 117.190 Ave N Shift Values>> N :: 115.7(5.05) 1.E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 M 0.28 Q 0.15 K 0.1 I 0.01 C Shift Assignments>> C :: 176.730 CA :: 55.460 CB :: 30.840 CG :: 35.520 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 :: 8.410 HA :: 5.000 HB2 :: 1.730 HB3 :: 1.900 HG2 :: 2.240 HG3 :: 1.940 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 :: 125.530 Ave N Shift Values>> N :: 120.68(3.68) 1.I155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.870 CA :: 60.750 CB :: 40.410 CG1 :: 27.180 CG2 :: 16.790 CD1 :: 14.210 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 :: 8.810 HA :: 4.190 HB :: 1.560 HG12 :: 1.520 HG13 :: 0.970 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 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 :: 123.760 Ave N Shift Values>> N :: 121.6(4.72) 1.D156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.21 Y 0.17 F 0.14 L 0.05 E 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 175.740 CA :: 54.600 CB :: 38.760 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 :: 9.360 HA :: 4.260 HB2 :: 2.630 HB3 :: 2.960 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 :: 126.180 Ave N Shift Values>> N :: 120.73(4.2) 1.G157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 173.960 CA :: 45.780 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.630 HA2 :: 4.100 HA3 :: 3.650 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.430 Ave N Shift Values>> N :: 109.91(4.29) 1.R158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 K 0.35 G 0.07 C Shift Assignments>> C :: 174.850 CA :: 54.260 CB :: 32.320 CG :: 27.430 CD :: 42.930 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 :: 7.910 HA :: 4.610 HB2 :: 1.990 HB3 :: 1.820 HG2 :: 1.490 HG3 :: 1.580 HD2 :: 3.000 HD3 :: 3.110 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 :: 120.830 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.920 CA :: 57.960 CB :: 63.220 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.560 HA :: 4.350 HB2 :: 3.750 HB3 :: 3.770 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 :: 118.220 Ave N Shift Values>> N :: 116.3(3.95) 1.I160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.530 CA :: 61.240 CB :: 38.500 CG1 :: 26.820 CG2 :: 18.160 CD1 :: 14.280 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 :: 8.860 HA :: 4.480 HB :: 2.150 HG12 :: 1.620 HG13 :: 1.490 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 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 :: 128.260 Ave N Shift Values>> N :: 121.6(4.72) 1.S161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.D142 1.D142 C Shift Assignments>> C :: 172.540 CA :: 57.060 CB :: 65.630 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.960 HA :: 4.900 HB2 :: 3.770 HB3 :: 3.700 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 :: 118.960 Ave N Shift Values>> N :: 116.3(3.95) 1.L162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.27 A 0.01 C Shift Assignments>> C :: 176.510 CA :: 53.130 CB :: 45.610 CG :: 27.190 CD1 :: 24.030 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 :: 9.150 HA :: 5.570 HB2 :: 1.590 HB3 :: 1.230 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 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 :: 123.460 Ave N Shift Values>> N :: 121.98(4.07) 1.Y163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> C :: 175.460 CA :: 57.170 CB :: 41.840 CD1 :: 133.560 CE1 :: 118.230 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 :: 9.360 HA :: 4.910 HB2 :: 3.280 HB3 :: 2.770 HD1 :: 7.190 HD2 :: 7.190 HE1 :: 6.730 HE2 :: 6.730 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 :: 119.700 Ave N Shift Values>> N :: 120.79(4.69) 1.Y164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.870 CA :: 58.490 CB :: 38.930 CD1 :: 132.320 CE1 :: 117.210 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 :: 8.720 HA :: 4.770 HB2 :: 2.420 HB3 :: 2.850 HD1 :: 6.800 HD2 :: 6.800 HE1 :: 6.080 HE2 :: 6.080 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 :: 122.200 Ave N Shift Values>> N :: 120.79(4.69) 1.T165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.820 CA :: 62.480 CB :: 69.890 CG2 :: 22.120 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 :: 4.420 HB :: 4.280 HG21 :: 1.260 HG22 :: 1.260 HG23 :: 1.260 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 :: 114.100 Ave N Shift Values>> N :: 115.7(5.05) 1.G166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.2 R 0.14 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.390 CA :: 44.660 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.940 HA2 :: 3.800 HA3 :: 4.000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.450 Ave N Shift Values>> N :: 109.91(4.29) 1.E167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 K 0.22 Q 0.22 M 0.13 I 0.01 R 0.01 C Shift Assignments>> C :: 174.580 CA :: 54.260 CB :: 29.620 CG :: 35.440 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 :: 8.220 HA :: 4.510 HB2 :: 1.840 HB3 :: 1.990 HG2 :: 2.280 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 :: 121.420 Ave N Shift Values>> N :: 120.68(3.68) 1.P168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 176.900 CA :: 63.230 CB :: 32.160 CG :: 27.510 CD :: 50.660 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 :: 4.350 HB2 :: 2.210 HB3 :: 1.850 HG2 :: 1.970 HG3 :: 1.910 HD2 :: 3.610 HD3 :: 3.690 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) N Shift Assignments>> N :: 137.550 Ave N Shift Values>> N :: 127.4(10.05) 1.K169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.29 M 0.05 G 0.01 HN Overlap>> 1.D86 1.A141 1.D86 1.A141 C Shift Assignments>> C :: 177.270 CA :: 56.440 CB :: 33.080 CG :: 24.580 CD :: 28.950 CE :: 42.160 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 :: 8.410 HA :: 4.300 HB2 :: 1.740 HB3 :: 1.830 HG2 :: 1.380 HG3 :: 1.410 HD2 :: 1.620 HE2 :: 2.930 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 :: 121.400 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G170 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 :: 174.250 CA :: 45.630 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.440 HA2 :: 3.990 HA3 :: 3.950 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.810 Ave N Shift Values>> N :: 109.91(4.29) 1.E171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 M 0.18 K 0.15 Q 0.15 I 0.03 C Shift Assignments>> C :: 177.090 CA :: 56.320 CB :: 30.250 CG :: 35.690 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 :: 8.410 HA :: 4.320 HB2 :: 1.960 HB3 :: 2.090 HG2 :: 2.300 HG3 :: 2.230 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 :: 120.690 Ave N Shift Values>> N :: 120.68(3.68) 1.G172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 174.520 CA :: 45.850 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.570 HA2 :: 3.950 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.770 Ave N Shift Values>> N :: 109.91(4.29) 1.L173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.1 A 0.02 G 0.02 C Shift Assignments>> C :: 177.660 CA :: 55.490 CB :: 42.210 CG :: 27.010 CD1 :: 25.070 CD2 :: 23.380 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 :: 8.110 HA :: 4.250 HB2 :: 1.520 HB3 :: 1.600 HG :: 1.560 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 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 :: 121.180 Ave N Shift Values>> N :: 121.98(4.07) 1.E174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 K 0.2 Q 0.17 M 0.1 I 0.05 C Shift Assignments>> C :: 176.380 CA :: 56.800 CB :: 29.670 CG :: 35.600 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 :: 8.420 HA :: 4.160 HB2 :: 1.870 HB3 :: 1.900 HG2 :: 2.150 HG3 :: 2.220 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 :: 119.990 Ave N Shift Values>> N :: 120.68(3.68) 1.H175 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H176 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H177 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H178 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H179 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H180 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 176 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 174 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 180 #Suspicious: 0 C Shift Results: #Consistent: 724 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent:1088 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 180 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N9 HA = 6.070(S), Expected = 4.70, Std = 0.3900, ChiSquare = 4.4338e-04 1.N100 CG = 179.460(A), Expected = 176.61, Std = 1.3300, ChiSquare = 3.2125e-02 1.K138 H = 10.510(S), Expected = 8.22, Std = 0.6400, ChiSquare = 3.4607e-04 1.A143 HA = 2.800(S), Expected = 4.26, Std = 0.4200, ChiSquare = 5.0859e-04