Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.720 HB2 :: 3.190 HB3 :: 3.120 HD2 :: 7.162 HE1 :: 8.178 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.22 K 0.19 C 0.16 Q 0.15 R 0.09 H 0.09 E 0.04 V 0.01 C Shift Assignments>> C :: 175.700 CA :: 55.580 CB :: 32.910 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.480 HB2 :: 2.062 HB3 :: 1.997 HG2 :: 2.568 HG3 :: 2.503 HE1 :: 2.172 HE2 :: 2.172 HE3 :: 2.172 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 Q 0.18 C 0.15 K 0.15 R 0.13 E 0.08 M 0.05 L 0.03 C Shift Assignments>> C :: 174.010 CA :: 53.570 CB :: 29.140 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.442 HA :: 4.717 HB2 :: 2.149 HB3 :: 1.985 HG2 :: 2.460 HG3 :: 2.436 HE21 :: 7.532 HE22 :: 6.916 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.690 NE2 :: 112.450 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.4 P 0.38 C 0.16 K 0.01 C Shift Assignments>> C :: 176.620 CA :: 62.920 CB :: 32.280 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.561 HB2 :: 2.373 HB3 :: 2.014 HG2 :: 2.150 HG3 :: 2.132 HD2 :: 3.879 HD3 :: 3.788 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.18 C 0.08 F 0.06 Y 0.06 L 0.04 HN Overlap>> 1.K218 1.K218 1.K182 1.K182 C Shift Assignments>> C :: 176.060 CA :: 52.810 CB :: 38.890 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.555 HA :: 4.730 HB2 :: 3.144 HB3 :: 2.974 HD21 :: 7.731 HD22 :: 7.030 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.200 ND2 :: 113.230 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.2 C 0.18 N 0.12 D 0.07 E 0.05 I 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 177.430 CA :: 56.280 CB :: 38.380 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.375 HB2 :: 2.870 HB3 :: 2.643 HD21 :: 7.680 HD22 :: 7.037 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 112.810 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 I 0.2 K 0.13 E 0.11 Q 0.09 H 0.08 R 0.07 V 0.01 M 0.01 C Shift Assignments>> C :: 179.690 CA :: 59.850 CB :: 28.820 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.529 HA :: 4.094 HB2 :: 2.173 HB3 :: 2.132 HG2 :: 2.407 HG3 :: 2.390 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.100 Ave N Shift Values>> N :: 120.67(3.48) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T59 1.T59 C Shift Assignments>> C :: 177.660 CA :: 61.890 CB :: 62.580 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.398 HA :: 4.317 HB2 :: 4.106 HB3 :: 4.066 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.140 Ave N Shift Values>> N :: 116.28(3.52) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 V 0.26 K 0.11 R 0.06 M 0.06 H 0.04 Q 0.04 E 0.04 P 0.03 HN Overlap>> 1.L147 1.L147 C Shift Assignments>> C :: 178.860 CA :: 60.280 CB :: 32.620 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.070 HA :: 4.178 HB2 :: 1.986 HB3 :: 1.785 HG2 :: 1.587 HG3 :: 1.503 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.360 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 C 0.29 K 0.08 P 0.07 R 0.06 M 0.04 H 0.04 E 0.04 Q 0.02 HN Overlap>> 1.K81 1.L43 1.K81 1.L43 C Shift Assignments>> C :: 178.920 CA :: 60.670 CB :: 32.360 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.087 HA :: 3.902 HB2 :: 1.968 HB3 :: 1.772 HG2 :: 1.349 HG3 :: 1.116 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.060 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 V 0.21 K 0.13 Q 0.09 M 0.08 R 0.05 H 0.04 E 0.02 P 0.01 C Shift Assignments>> C :: 179.150 CA :: 59.870 CB :: 33.320 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.195 HA :: 4.159 HB2 :: 2.186 HB3 :: 1.979 HG2 :: 1.784 HG3 :: 1.604 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.320 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.24 I 0.06 C 0.02 C Shift Assignments>> C :: 177.470 CA :: 55.710 CB :: 17.750 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.718 HA :: 4.009 HB1 :: 1.593 HB2 :: 1.593 HB3 :: 1.593 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.150 Ave N Shift Values>> N :: 123.23(3.54) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 P 0.34 C 0.09 I 0.01 C Shift Assignments>> C :: 179.330 CA :: 65.560 CB :: 32.100 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.666 HA :: 3.909 HB :: 2.293 HG11 :: 1.190 HG12 :: 1.190 HG13 :: 1.190 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.570 Ave N Shift Values>> N :: 121.14(4.54) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.17 V 0.12 M 0.11 R 0.1 H 0.08 Q 0.07 E 0.06 C Shift Assignments>> C :: 177.600 CA :: 58.980 CB :: 32.530 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.792 HA :: 4.099 HB2 :: 2.062 HB3 :: 1.995 HG2 :: 1.585 HG3 :: 1.520 HE2 :: 3.116 HE3 :: 3.116 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.030 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 C 0.14 I 0.1 L 0.06 D 0.06 K 0.01 N 0.01 C Shift Assignments>> C :: 178.320 CA :: 58.050 CB :: 39.900 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.592 HA :: 4.451 HB2 :: 1.987 HB3 :: 1.494 HG :: 1.334 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.261 HD22 :: 0.261 HD23 :: 0.261 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.910 Ave N Shift Values>> N :: 121.86(3.9) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.25 C 0.18 I 0.17 E 0.02 D 0.01 L 0.01 C Shift Assignments>> C :: 178.370 CA :: 58.620 CB :: 38.700 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.453 HA :: 4.128 HB2 :: 3.002 HB3 :: 2.460 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.260 Ave N Shift Values>> N :: 120.65(3.86) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.16 F 0.13 K 0.11 Y 0.08 C 0.08 G 0.03 D 0.03 I 0.01 C Shift Assignments>> C :: 180.680 CA :: 58.410 CB :: 43.110 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.354 HA :: 3.870 HB2 :: 2.060 HB3 :: 1.758 HG :: 1.509 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.732 HD22 :: 0.732 HD23 :: 0.732 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.670 Ave N Shift Values>> N :: 121.86(3.9) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.09 I 0.07 N 0.02 K 0.01 C Shift Assignments>> C :: 180.260 CA :: 57.540 CB :: 39.980 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.790 HA :: 4.450 HB2 :: 3.138 HB3 :: 2.460 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.090 Ave N Shift Values>> N :: 120.65(3.86) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.17 L 0.15 Y 0.13 R 0.09 C 0.07 D 0.06 I 0.02 C Shift Assignments>> C :: 180.930 CA :: 57.820 CB :: 41.940 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.328 HA :: 3.950 HB2 :: 2.172 HB3 :: 2.097 HG :: 1.805 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.810 Ave N Shift Values>> N :: 121.86(3.9) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Q 0.21 K 0.18 M 0.18 R 0.04 E 0.04 H 0.04 V 0.03 Y 0.01 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> C :: 178.460 CA :: 57.420 CB :: 33.940 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.020 HA :: 4.562 HB2 :: 1.952 HB3 :: 1.920 HG2 :: 2.394 HG3 :: 2.380 HE1 :: 2.133 HE2 :: 2.133 HE3 :: 2.133 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.620 Ave N Shift Values>> N :: 120.09(3.57) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.21 K 0.11 R 0.09 E 0.07 H 0.07 M 0.07 P 0.03 Q 0.02 I 0.01 HN Overlap>> 1.E47 1.I174 1.E47 1.I174 C Shift Assignments>> C :: 179.210 CA :: 60.010 CB :: 32.010 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.737 HA :: 4.074 HB2 :: 2.058 HB3 :: 1.760 HG2 :: 1.583 HG3 :: 1.417 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.170 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 K 0.15 C 0.15 Q 0.15 H 0.14 R 0.12 I 0.04 M 0.03 C Shift Assignments>> C :: 179.850 CA :: 57.760 CB :: 29.350 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.832 HA :: 4.469 HB2 :: 1.846 HB3 :: 1.801 HG2 :: 2.172 HG3 :: 2.079 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.540 Ave N Shift Values>> N :: 120.67(3.48) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.290 CA :: 68.530 CB :: 67.780 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.365 HA :: 3.670 HB :: 4.222 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.970 Ave N Shift Values>> N :: 115.42(4.75) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.2 R 0.09 E 0.08 H 0.07 K 0.06 P 0.06 M 0.04 I 0.04 Q 0.03 C Shift Assignments>> C :: 178.990 CA :: 60.570 CB :: 31.190 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.265 HA :: 3.768 HB2 :: 2.158 HB3 :: 1.830 HG2 :: 1.450 HG3 :: 1.332 HD2 :: 1.594 HD3 :: 1.594 HE2 :: 2.889 HE3 :: 2.889 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.21 F 0.17 E 0.13 N 0.08 I 0.05 M 0.03 D 0.03 L 0.01 HN Overlap>> 1.K219 1.K219 C Shift Assignments>> C :: 177.770 CA :: 56.610 CB :: 37.730 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.623 HA :: 4.535 HB2 :: 3.129 HB3 :: 3.043 HD21 :: 7.620 HD22 :: 6.786 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.110 ND2 :: 112.360 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 P 0.3 C 0.09 I 0.02 HN Overlap>> 1.K83 1.K83 1.E132 1.E132 C Shift Assignments>> C :: 178.060 CA :: 65.970 CB :: 31.690 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.108 HA :: 4.137 HB :: 2.254 HG11 :: 1.192 HG12 :: 1.192 HG13 :: 1.192 HG21 :: 1.144 HG22 :: 1.144 HG23 :: 1.144 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.560 Ave N Shift Values>> N :: 121.14(4.54) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 I 0.44 C 0.08 C Shift Assignments>> C :: 176.790 CA :: 65.520 CB :: 27.390 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.430 HA :: 4.133 HB2 :: 3.256 HB3 :: 2.884 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.560 Ave N Shift Values>> N :: 120.17(4.64) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.680 CA :: 67.550 CB :: 68.770 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.496 HA :: 4.144 HB :: 4.498 HG21 :: 1.365 HG22 :: 1.365 HG23 :: 1.365 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.890 Ave N Shift Values>> N :: 115.42(4.75) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.690 CA :: 67.150 CB :: 68.720 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.941 HA :: 3.944 HB :: 4.441 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.160 Ave N Shift Values>> N :: 115.42(4.75) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 P 0.19 C 0.09 I 0.01 C Shift Assignments>> C :: 177.010 CA :: 66.640 CB :: 32.100 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.703 HA :: 3.651 HB :: 2.126 HG11 :: 1.196 HG12 :: 1.196 HG13 :: 1.196 HG21 :: 1.035 HG22 :: 1.035 HG23 :: 1.035 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.300 Ave N Shift Values>> N :: 121.14(4.54) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 K 0.14 C 0.11 L 0.09 I 0.07 D 0.05 R 0.01 C Shift Assignments>> C :: 176.700 CA :: 58.550 CB :: 41.090 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.244 HA :: 3.976 HB2 :: 2.402 HB3 :: 1.847 HD21 :: 5.974 HD22 :: 6.396 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.370 ND2 :: 109.580 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.990 CA :: 66.900 CB :: 69.030 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.388 HA :: 3.816 HB :: 4.284 HG21 :: 1.287 HG22 :: 1.287 HG23 :: 1.287 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.500 Ave N Shift Values>> N :: 115.42(4.75) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.16 R 0.11 M 0.11 V 0.11 H 0.09 E 0.08 Q 0.05 C Shift Assignments>> C :: 179.830 CA :: 58.880 CB :: 32.240 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.576 HA :: 4.154 HB2 :: 2.047 HB3 :: 1.901 HG2 :: 1.646 HG3 :: 1.590 HE2 :: 2.937 HE3 :: 2.937 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.630 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.18 Y 0.13 L 0.13 R 0.12 C 0.08 D 0.04 I 0.03 HN Overlap>> 1.K189 1.K189 C Shift Assignments>> C :: 178.040 CA :: 58.450 CB :: 42.120 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.256 HA :: 4.131 HB2 :: 1.904 HB3 :: 1.842 HG :: 1.411 HD11 :: 1.006 HD12 :: 1.006 HD13 :: 1.006 HD21 :: 0.890 HD22 :: 0.890 HD23 :: 0.890 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.480 Ave N Shift Values>> N :: 121.86(3.9) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.1 P 0.1 I 0.04 C Shift Assignments>> C :: 178.360 CA :: 67.450 CB :: 31.250 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.697 HA :: 3.382 HB :: 1.979 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 0.810 HG22 :: 0.810 HG23 :: 0.810 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.990 Ave N Shift Values>> N :: 121.14(4.54) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 176.800 CA :: 47.200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.754 HA2 :: 3.875 HA3 :: 3.791 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.760 Ave N Shift Values>> N :: 109.67(3.87) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.14 V 0.12 R 0.12 M 0.1 H 0.09 E 0.09 Q 0.03 C Shift Assignments>> C :: 178.160 CA :: 59.180 CB :: 31.980 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.896 HA :: 4.163 HB2 :: 2.069 HB3 :: 1.929 HG2 :: 1.522 HG3 :: 1.444 HD2 :: 1.683 HD3 :: 1.683 HE2 :: 2.891 HE3 :: 2.891 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.390 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.21 I 0.07 C 0.02 C Shift Assignments>> C :: 179.710 CA :: 55.930 CB :: 17.690 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.727 HA :: 3.834 HB1 :: 1.532 HB2 :: 1.532 HB3 :: 1.532 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.320 Ave N Shift Values>> N :: 123.23(3.54) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.24 K 0.1 R 0.08 H 0.06 E 0.06 M 0.06 P 0.04 Q 0.02 I 0.01 C Shift Assignments>> C :: 179.260 CA :: 60.280 CB :: 32.100 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.430 HA :: 3.896 HB2 :: 1.921 HB3 :: 1.837 HG2 :: 1.529 HG3 :: 1.372 HE2 :: 2.831 HE3 :: 2.831 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.340 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T136 1.T136 C Shift Assignments>> C :: 177.850 CA :: 61.680 CB :: 62.730 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.067 HA :: 4.247 HB2 :: 4.059 HB3 :: 4.030 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.870 Ave N Shift Values>> N :: 116.28(3.52) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.18 M 0.15 R 0.13 H 0.11 E 0.08 Q 0.07 V 0.05 C Shift Assignments>> C :: 178.650 CA :: 57.740 CB :: 32.270 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.362 HA :: 4.057 HB2 :: 1.971 HB3 :: 1.831 HG2 :: 1.542 HG3 :: 1.478 HE2 :: 2.894 HE3 :: 2.894 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.2 Y 0.15 L 0.13 C 0.09 R 0.06 D 0.05 I 0.04 HN Overlap>> 1.K11 1.K81 1.K11 1.K81 1.T253 1.T253 C Shift Assignments>> C :: 179.360 CA :: 58.190 CB :: 41.710 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.093 HA :: 3.898 HB2 :: 1.510 HB3 :: 1.972 HG :: 1.650 HD11 :: 0.975 HD12 :: 0.975 HD13 :: 0.975 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.090 Ave N Shift Values>> N :: 121.86(3.9) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 Y 0.16 F 0.15 D 0.15 C 0.13 L 0.05 I 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 176.520 CA :: 55.020 CB :: 38.730 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.559 HA :: 4.516 HB2 :: 2.925 HB3 :: 2.899 HD21 :: 6.786 HD22 :: 7.550 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.800 ND2 :: 111.610 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.17 C 0.16 R 0.14 H 0.13 E 0.08 Q 0.06 V 0.01 HN Overlap>> 1.K161 1.K161 C Shift Assignments>> C :: 177.440 CA :: 56.140 CB :: 32.070 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.607 HA :: 4.306 HB2 :: 2.107 HB3 :: 2.040 HG2 :: 1.543 HG3 :: 1.340 HE2 :: 3.025 HE3 :: 3.025 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.340 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.28 L 0.13 F 0.09 Y 0.07 C 0.06 K 0.01 C Shift Assignments>> C :: 175.510 CA :: 53.640 CB :: 40.130 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.288 HA :: 4.265 HB2 :: 1.542 HB3 :: 1.885 HG :: 1.058 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 HD21 :: 0.223 HD22 :: 0.223 HD23 :: 0.223 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.320 Ave N Shift Values>> N :: 121.86(3.9) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 M 0.16 R 0.16 K 0.14 H 0.14 E 0.11 Q 0.07 V 0.02 HN Overlap>> 1.I174 1.K22 1.I174 1.K22 C Shift Assignments>> C :: 177.260 CA :: 56.870 CB :: 31.600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.792 HA :: 4.349 HB2 :: 2.048 HB3 :: 2.104 HG2 :: 2.313 HG3 :: 2.280 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.080 Ave N Shift Values>> N :: 120.67(3.48) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 175.800 CA :: 44.980 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.573 HA2 :: 4.430 HA3 :: 3.964 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.140 Ave N Shift Values>> N :: 109.67(3.87) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.16 R 0.12 H 0.12 Q 0.1 K 0.1 I 0.08 V 0.03 M 0.03 C Shift Assignments>> C :: 179.120 CA :: 59.360 CB :: 29.820 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.774 HA :: 4.058 HB2 :: 2.110 HB3 :: 2.091 HG2 :: 2.383 HG3 :: 2.364 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.310 Ave N Shift Values>> N :: 120.67(3.48) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.260 CA :: 60.870 CB :: 62.580 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.673 HB2 :: 4.220 HB3 :: 4.047 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.16 C 0.15 R 0.15 H 0.14 E 0.08 Q 0.06 V 0.01 C Shift Assignments>> C :: 175.440 CA :: 55.770 CB :: 31.950 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.290 HA :: 5.125 HB2 :: 3.424 HB3 :: 2.872 HD2 :: 7.004 HE1 :: 7.843 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.730 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 C 0.29 P 0.08 K 0.08 R 0.04 M 0.04 Q 0.03 H 0.03 E 0.02 C Shift Assignments>> C :: 179.150 CA :: 60.890 CB :: 32.740 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.360 HA :: 4.046 HB2 :: 2.011 HB3 :: 1.917 HG2 :: 1.611 HG3 :: 1.532 HD2 :: 1.766 HD3 :: 1.766 HE2 :: 3.034 HE3 :: 3.034 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.540 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 I 0.2 K 0.12 E 0.11 Q 0.09 H 0.08 R 0.07 V 0.02 M 0.01 C Shift Assignments>> C :: 178.370 CA :: 59.960 CB :: 28.910 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.696 HA :: 4.186 HB2 :: 2.126 HB3 :: 2.103 HG2 :: 2.391 HG3 :: 2.360 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.970 Ave N Shift Values>> N :: 120.67(3.48) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.17 Y 0.15 F 0.13 HN Overlap>> 1.K144 1.K144 C Shift Assignments>> C :: 177.420 CA :: 61.930 CB :: 38.670 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.175 HA :: 4.201 HB2 :: 3.313 HB3 :: 3.137 HD1 :: 7.037 HD2 :: 7.037 HE1 :: 6.621 HE2 :: 6.621 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.860 Ave N Shift Values>> N :: 120.52(4.2) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 P 0.15 C 0.09 I 0.01 C Shift Assignments>> C :: 179.680 CA :: 66.960 CB :: 32.100 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.831 HA :: 3.521 HB :: 2.204 HG11 :: 1.344 HG12 :: 1.344 HG13 :: 1.344 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.460 Ave N Shift Values>> N :: 121.14(4.54) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.28 I 0.06 C 0.03 C Shift Assignments>> C :: 180.630 CA :: 55.730 CB :: 18.070 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.278 HA :: 4.152 HB1 :: 1.558 HB2 :: 1.558 HB3 :: 1.558 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.960 Ave N Shift Values>> N :: 123.23(3.54) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.15 K 0.12 I 0.11 H 0.11 R 0.1 Q 0.1 V 0.02 M 0.02 HN Overlap>> 1.Q149 1.Q149 C Shift Assignments>> C :: 179.720 CA :: 59.430 CB :: 29.440 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.223 HA :: 4.051 HB2 :: 2.147 HB3 :: 2.064 HG2 :: 2.390 HG3 :: 2.228 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.170 Ave N Shift Values>> N :: 120.67(3.48) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 M 0.16 R 0.16 K 0.14 H 0.14 E 0.11 Q 0.07 V 0.02 C Shift Assignments>> C :: 178.670 CA :: 57.010 CB :: 31.630 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.654 HA :: 4.084 HB2 :: 1.740 HB3 :: 1.562 HG2 :: 1.442 HG3 :: 1.346 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.370 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S9 1.S9 C Shift Assignments>> C :: 175.540 CA :: 68.040 CB :: 68.820 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.421 HA :: 3.659 HB :: 4.287 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.080 Ave N Shift Values>> N :: 115.42(4.75) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.16 K 0.14 R 0.1 M 0.09 H 0.08 E 0.07 Q 0.04 P 0.01 C Shift Assignments>> C :: 178.610 CA :: 59.510 CB :: 32.240 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.183 HA :: 4.147 HB2 :: 1.990 HB3 :: 1.922 HG2 :: 1.602 HG3 :: 1.436 HD2 :: 1.723 HD3 :: 1.723 HE2 :: 2.986 HE3 :: 2.986 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.15 R 0.12 H 0.11 V 0.08 Q 0.08 I 0.07 K 0.05 M 0.03 HN Overlap>> 1.E177 1.E177 C Shift Assignments>> C :: 179.140 CA :: 59.810 CB :: 30.340 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.981 HA :: 4.060 HB2 :: 2.139 HB3 :: 2.020 HG2 :: 2.485 HG3 :: 2.465 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.960 Ave N Shift Values>> N :: 120.67(3.48) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.14 Y 0.02 F 0.02 V 0.01 C Shift Assignments>> C :: 177.340 CA :: 65.520 CB :: 38.090 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.568 HA :: 3.516 HB :: 1.891 HG12 :: 1.539 HG13 :: 1.203 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.370 Ave N Shift Values>> N :: 121.46(4.28) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.13 L 0.08 I 0.08 D 0.07 K 0.02 N 0.01 HN Overlap>> 1.L162 1.L162 C Shift Assignments>> C :: 179.600 CA :: 57.880 CB :: 40.130 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.913 HA :: 4.452 HB2 :: 2.680 HB3 :: 2.842 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.410 Ave N Shift Values>> N :: 120.65(3.86) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 E 0.14 I 0.12 K 0.11 H 0.1 R 0.1 Q 0.09 V 0.03 M 0.02 C Shift Assignments>> C :: 179.980 CA :: 59.730 CB :: 29.530 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.449 HA :: 4.075 HB2 :: 2.443 HB3 :: 2.217 HG2 :: 2.303 HG3 :: 2.117 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.150 Ave N Shift Values>> N :: 120.67(3.48) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 V 0.14 R 0.12 K 0.11 E 0.1 H 0.09 M 0.08 Q 0.04 I 0.01 P 0.01 HN Overlap>> 1.L106 1.F203 1.L106 1.F203 1.I110 1.I110 C Shift Assignments>> C :: 179.350 CA :: 59.570 CB :: 31.630 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.605 HA :: 4.077 HB2 :: 2.009 HB3 :: 1.926 HG2 :: 1.716 HG3 :: 1.554 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.750 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.22 D 0.14 C 0.14 N 0.11 L 0.07 I 0.04 C Shift Assignments>> C :: 177.840 CA :: 56.200 CB :: 39.200 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.946 HA :: 4.649 HB2 :: 2.969 HB3 :: 2.778 HD21 :: 7.686 HD22 :: 6.599 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.530 ND2 :: 110.780 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.24 K 0.11 R 0.07 M 0.06 H 0.05 E 0.05 Q 0.04 P 0.03 HN Overlap>> 1.M21 1.M21 C Shift Assignments>> C :: 179.110 CA :: 60.180 CB :: 32.420 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.098 HA :: 4.128 HB2 :: 2.011 HB3 :: 1.911 HG2 :: 1.604 HG3 :: 1.401 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.650 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.14 R 0.12 V 0.11 M 0.1 H 0.1 E 0.09 Q 0.04 C Shift Assignments>> C :: 177.730 CA :: 59.120 CB :: 31.920 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.647 HA :: 4.055 HB2 :: 2.011 HB3 :: 1.902 HG2 :: 1.733 HG3 :: 1.619 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.770 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 Y 0.23 F 0.23 C 0.15 HN Overlap>> 1.N212 1.D234 1.N212 1.D234 C Shift Assignments>> C :: 177.340 CA :: 60.750 CB :: 39.460 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.326 HA :: 4.561 HB2 :: 3.305 HB3 :: 3.122 HD1 :: 7.233 HD2 :: 7.233 HE1 :: 7.165 HE2 :: 7.165 HZ :: 6.933 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.940 Ave N Shift Values>> N :: 120.45(4.18) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.25 C 0.17 I 0.07 D 0.07 N 0.05 L 0.04 E 0.02 C Shift Assignments>> C :: 178.190 CA :: 57.070 CB :: 38.850 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.292 HA :: 4.189 HB2 :: 2.943 HB3 :: 2.677 HD21 :: 7.386 HD22 :: 6.777 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.850 ND2 :: 112.800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.15 K 0.12 I 0.11 H 0.11 R 0.1 Q 0.1 V 0.02 M 0.02 C Shift Assignments>> C :: 179.240 CA :: 59.450 CB :: 29.440 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.018 HA :: 4.025 HB2 :: 2.201 HB3 :: 2.040 HG2 :: 2.254 HG3 :: 2.470 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.910 Ave N Shift Values>> N :: 120.67(3.48) 1.N72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.21 Y 0.18 E 0.16 N 0.14 F 0.13 M 0.05 D 0.03 I 0.03 L 0.01 K 0.01 HN Overlap>> 1.E143 1.A226 1.E143 1.A226 C Shift Assignments>> C :: 177.380 CA :: 55.910 CB :: 37.500 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.159 HA :: 4.606 HB2 :: 2.945 HB3 :: 2.345 HD21 :: 10.210(S) HD22 :: 6.536 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.740 ND2 :: 120.420(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.17 F 0.16 Y 0.11 R 0.1 D 0.07 C 0.07 I 0.02 HN Overlap>> 1.D97 1.K142 1.D97 1.K142 C Shift Assignments>> C :: 179.490 CA :: 57.520 CB :: 42.010 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.426 HA :: 3.870 HB2 :: 1.435 HB3 :: 1.382 HG :: 1.348 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 HD21 :: 0.753 HD22 :: 0.753 HD23 :: 0.753 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.710 Ave N Shift Values>> N :: 121.86(3.9) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.48 P 0.38 C 0.1 I 0.02 C Shift Assignments>> C :: 179.440 CA :: 65.440 CB :: 31.540 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.218 HA :: 3.791 HB :: 2.202 HG11 :: 1.054 HG12 :: 1.054 HG13 :: 1.054 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.540 Ave N Shift Values>> N :: 121.14(4.54) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 V 0.24 K 0.12 Q 0.07 M 0.07 R 0.05 H 0.04 E 0.03 P 0.02 C Shift Assignments>> C :: 180.270 CA :: 60.080 CB :: 33.060 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.343 HA :: 3.830 HB2 :: 2.099 HB3 :: 1.813 HG2 :: 1.439 HG3 :: 1.343 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.18 Y 0.05 F 0.04 V 0.02 C Shift Assignments>> C :: 175.160 CA :: 64.020 CB :: 37.650 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.421 HA :: 4.337 HB :: 1.716 HG12 :: 1.462 HG13 :: 1.264 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 110.610 Ave N Shift Values>> N :: 121.46(4.28) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 M 0.14 C 0.14 E 0.12 Q 0.11 K 0.1 C Shift Assignments>> C :: 176.180 CA :: 55.750 CB :: 31.040 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.023 HA :: 4.458 HB2 :: 2.106 HB3 :: 1.983 HG2 :: 2.274 HG3 :: 2.181 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.000 Ave N Shift Values>> N :: 120.67(3.48) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.19 Q 0.16 M 0.15 R 0.07 H 0.06 V 0.06 E 0.03 C Shift Assignments>> C :: 176.310 CA :: 57.970 CB :: 33.210 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.956 HA :: 4.102 HB2 :: 1.775 HB3 :: 1.734 HG2 :: 1.477 HG3 :: 1.401 HE2 :: 2.975 HE3 :: 2.975 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.920 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 Q 0.22 C 0.2 K 0.14 E 0.06 H 0.03 R 0.03 N 0.01 Y 0.01 C Shift Assignments>> C :: 175.460 CA :: 54.590 CB :: 34.400 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.528 HA :: 5.238 HB2 :: 1.813 HB3 :: 1.761 HG2 :: 1.709 HG3 :: 1.632 HD2 :: 3.057 HD3 :: 3.036 HE :: 7.358 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.860 NE :: 86.010 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.2 E 0.15 N 0.14 Q 0.07 K 0.06 Y 0.03 F 0.02 H 0.01 C Shift Assignments>> C :: 173.770 CA :: 53.720 CB :: 35.660 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.390 HA :: 4.854 HB2 :: 1.849 HB3 :: 1.753 HG2 :: 1.406 HG3 :: 1.250 HD2 :: 1.660 HD3 :: 1.640 HE2 :: 3.035 HE3 :: 3.035 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 Q 0.22 C 0.19 K 0.15 H 0.04 R 0.04 E 0.03 N 0.01 HN Overlap>> 1.K11 1.L247 1.K11 1.L247 1.L43 1.T253 1.L43 1.T253 C Shift Assignments>> C :: 177.300 CA :: 54.290 CB :: 34.140 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.179 HA :: 5.226 HB2 :: 1.840 HB3 :: 1.760 HG2 :: 1.464 HG3 :: 1.406 HD2 :: 1.610 HD3 :: 1.590 HE2 :: 2.869 HE3 :: 2.869 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.110 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.21 Y 0.16 C 0.11 R 0.09 L 0.08 I 0.07 D 0.02 C Shift Assignments>> C :: 174.050 CA :: 59.450 CB :: 42.030 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.967 HA :: 4.697 HB :: 1.853 HG12 :: 1.214 HG13 :: 0.912 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.250 Ave N Shift Values>> N :: 121.46(4.28) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 M 0.2 E 0.18 Q 0.13 K 0.11 Y 0.03 N 0.02 H 0.01 F 0.01 R 0.01 HN Overlap>> 1.V27 1.V27 C Shift Assignments>> C :: 176.180 CA :: 55.730 CB :: 35.190 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.093 HA :: 4.846 HB2 :: 1.541 HB3 :: 1.401 HG2 :: 1.197 HG3 :: 1.062 HE2 :: 2.935 HE3 :: 2.935 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.18 K 0.09 M 0.09 Q 0.08 V 0.07 I 0.05 Y 0.05 F 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 174.650 CA :: 59.160 CB :: 35.160 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.882 HA :: 4.152 HB :: 1.939 HG11 :: 0.794 HG12 :: 0.794 HG13 :: 0.794 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.180 Ave N Shift Values>> N :: 121.14(4.54) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.46 C 0.29 I 0.16 P 0.03 Y 0.01 C Shift Assignments>> C :: 174.900 CA :: 63.430 CB :: 34.960 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.742 HB2 :: 2.548 HB3 :: 2.277 HG2 :: 1.976 HG3 :: 1.786 HD2 :: 3.672 HD3 :: 3.413 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.27 C 0.02 HN Overlap>> 1.D205 1.D205 C Shift Assignments>> C :: 178.900 CA :: 54.050 CB :: 18.770 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.233 HA :: 3.966 HB1 :: 1.433 HB2 :: 1.433 HB3 :: 1.433 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.150 Ave N Shift Values>> N :: 123.23(3.54) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 C 0.13 I 0.11 L 0.07 D 0.05 K 0.03 C Shift Assignments>> C :: 178.050 CA :: 58.510 CB :: 40.310 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.686 HA :: 4.310 HB2 :: 3.109 HB3 :: 2.776 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.480 Ave N Shift Values>> N :: 120.65(3.86) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.970 CA :: 61.280 CB :: 70.170 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.669 HA :: 4.485 HB :: 4.401 HG21 :: 1.168 HG22 :: 1.168 HG23 :: 1.168 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.260 Ave N Shift Values>> N :: 115.42(4.75) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.500 CA :: 44.850 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.488 HA2 :: 4.204 HA3 :: 3.851 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.920 Ave N Shift Values>> N :: 109.67(3.87) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.03 C 0.01 L 0.01 C Shift Assignments>> C :: 177.350 CA :: 51.450 CB :: 19.830 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.432 HA :: 4.357 HB1 :: 1.416 HB2 :: 1.416 HB3 :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.130 Ave N Shift Values>> N :: 123.23(3.54) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.16 M 0.15 C 0.15 K 0.12 E 0.12 Q 0.09 V 0.01 HN Overlap>> 1.K175 1.K175 C Shift Assignments>> C :: 177.130 CA :: 56.400 CB :: 31.310 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.361 HA :: 4.831 HB2 :: 1.928 HB3 :: 1.772 HG2 :: 2.256 HG3 :: 2.009 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.640 Ave N Shift Values>> N :: 120.67(3.48) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.2 I 0.09 Y 0.07 V 0.07 M 0.06 K 0.06 Q 0.04 F 0.03 C Shift Assignments>> C :: 174.050 CA :: 59.610 CB :: 35.540 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.252 HA :: 4.549 HB :: 2.235 HG11 :: 0.933 HG12 :: 0.933 HG13 :: 0.933 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.190 Ave N Shift Values>> N :: 121.14(4.54) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.25 D 0.15 K 0.06 F 0.04 C 0.04 G 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 174.480 CA :: 54.410 CB :: 43.170 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.843 HA :: 5.154 HB2 :: 2.454 HB3 :: 2.315 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.450 Ave N Shift Values>> N :: 120.65(3.86) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.21 P 0.16 A 0.08 K 0.07 HN Overlap>> 1.E150 1.E150 C Shift Assignments>> C :: 177.050 CA :: 50.230 CB :: 24.010 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.790 HA :: 4.758 HB1 :: 1.263 HB2 :: 1.263 HB3 :: 1.263 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.690 Ave N Shift Values>> N :: 123.23(3.54) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.42 P 0.42 C 0.12 C Shift Assignments>> C :: 176.050 CA :: 63.730 CB :: 32.360 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.278 HA :: 3.838 HB :: 2.101 HG11 :: 1.157 HG12 :: 1.157 HG13 :: 1.157 HG21 :: 1.042 HG22 :: 1.042 HG23 :: 1.042 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.220 Ave N Shift Values>> N :: 121.14(4.54) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.28 R 0.09 C 0.04 D 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.440 CA :: 54.510 CB :: 44.750 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.168 HA :: 4.281 HB2 :: 2.319 HB3 :: 2.202 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.280 Ave N Shift Values>> N :: 120.65(3.86) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.14 D 0.13 C 0.1 K 0.08 I 0.04 N 0.02 HN Overlap>> 1.N167 1.L73 1.N167 1.L73 C Shift Assignments>> C :: 177.120 CA :: 57.110 CB :: 40.630 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.325 HA :: 4.412 HB2 :: 2.772 HB3 :: 2.533 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.700 Ave N Shift Values>> N :: 120.65(3.86) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 175.460 CA :: 45.400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.708 HA2 :: 4.178 HA3 :: 3.723 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.430 Ave N Shift Values>> N :: 109.67(3.87) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 P 0.12 C 0.11 I 0.06 C Shift Assignments>> C :: 177.120 CA :: 67.270 CB :: 31.070 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.428 HA :: 3.377 HB :: 2.101 HG11 :: 1.250 HG12 :: 1.250 HG13 :: 1.250 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.480 Ave N Shift Values>> N :: 121.14(4.54) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 I 0.13 A 0.12 C 0.03 HN Overlap>> 1.D130 1.I250 1.D130 1.I250 C Shift Assignments>> C :: 180.980 CA :: 56.630 CB :: 17.660 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.625 HA :: 3.865 HB1 :: 1.250 HB2 :: 1.250 HB3 :: 1.250 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.440 Ave N Shift Values>> N :: 123.23(3.54) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 176.260 CA :: 46.590 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.615 HA2 :: 3.781 HA3 :: 3.725 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.100 Ave N Shift Values>> N :: 109.67(3.87) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.32 C 0.03 I 0.01 C Shift Assignments>> C :: 179.440 CA :: 54.720 CB :: 18.980 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.645 HA :: 4.340 HB1 :: 1.446 HB2 :: 1.446 HB3 :: 1.446 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.330 Ave N Shift Values>> N :: 123.23(3.54) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.17 F 0.13 K 0.11 Y 0.08 C 0.08 G 0.03 D 0.03 I 0.01 C Shift Assignments>> C :: 179.530 CA :: 58.230 CB :: 43.110 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.954 HA :: 3.980 HB2 :: 2.157 HB3 :: 1.908 HG :: 1.143 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.230 Ave N Shift Values>> N :: 121.86(3.9) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.990 CA :: 60.650 CB :: 62.630 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.129 HA :: 4.409 HB2 :: 4.063 HB3 :: 3.895 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.240 Ave N Shift Values>> N :: 116.28(3.52) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.1 D 0.05 L 0.05 N 0.01 C Shift Assignments>> C :: 178.080 CA :: 57.990 CB :: 39.580 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.708 HA :: 4.417 HB2 :: 2.656 HB3 :: 2.758 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.470 Ave N Shift Values>> N :: 120.65(3.86) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.2 F 0.11 K 0.11 Y 0.07 C 0.07 D 0.04 G 0.03 I 0.01 HN Overlap>> 1.K65 1.K65 C Shift Assignments>> C :: 179.340 CA :: 57.720 CB :: 43.080 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.575 HA :: 4.490 HB2 :: 1.942 HB3 :: 1.490 HG :: 1.662 HD11 :: 0.961 HD12 :: 0.961 HD13 :: 0.961 HD21 :: 0.769 HD22 :: 0.769 HD23 :: 0.769 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.750 Ave N Shift Values>> N :: 121.86(3.9) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.780 CA :: 62.780 CB :: 61.950 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.675 HA :: 4.107 HB2 :: 3.925 HB3 :: 3.901 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.320 Ave N Shift Values>> N :: 116.28(3.52) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.270 CA :: 61.820 CB :: 62.630 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.594 HA :: 4.312 HB2 :: 4.160 HB3 :: 4.107 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.090 Ave N Shift Values>> N :: 116.28(3.52) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.2 Y 0.15 L 0.13 C 0.09 R 0.07 D 0.05 I 0.04 C Shift Assignments>> C :: 179.380 CA :: 58.330 CB :: 41.830 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.687 HA :: 4.491 HB2 :: 3.156 HB3 :: 2.824 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.430 Ave N Shift Values>> N :: 120.65(3.86) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.2 V 0.06 Y 0.03 F 0.02 HN Overlap>> 1.F203 1.K65 1.F203 1.K65 C Shift Assignments>> C :: 177.810 CA :: 64.530 CB :: 37.120 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.651 HA :: 3.771 HB :: 2.009 HG12 :: 1.635 HG13 :: 1.398 HG21 :: 0.824 HG22 :: 0.824 HG23 :: 0.824 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.650 Ave N Shift Values>> N :: 121.46(4.28) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.190 CA :: 62.010 CB :: 62.840 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.152 HA :: 4.199 HB2 :: 4.093 HB3 :: 4.034 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.110 Ave N Shift Values>> N :: 116.28(3.52) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.43 I 0.03 C 0.03 C Shift Assignments>> C :: 181.190 CA :: 55.260 CB :: 18.510 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.310 HA :: 4.247 HB1 :: 1.638 HB2 :: 1.638 HB3 :: 1.638 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.170 Ave N Shift Values>> N :: 123.23(3.54) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.18 Y 0.07 F 0.06 V 0.01 C Shift Assignments>> C :: 178.450 CA :: 63.430 CB :: 37.850 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.304 HA :: 4.022 HB :: 1.964 HG12 :: 1.605 HG13 :: 1.113 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.250 Ave N Shift Values>> N :: 121.46(4.28) 1.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.33 C 0.27 P 0.15 K 0.05 R 0.04 E 0.03 H 0.03 M 0.02 I 0.01 Q 0.01 C Shift Assignments>> C :: 178.660 CA :: 61.220 CB :: 32.010 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.707 HA :: 3.937 HB2 :: 2.093 HB3 :: 2.003 HG2 :: 1.491 HG3 :: 1.314 HE2 :: 3.013 HE3 :: 3.013 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.210 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.T146 1.T146 C Shift Assignments>> C :: 176.290 CA :: 67.190 CB :: 68.870 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.294 HA :: 4.029 HB :: 4.263 HG21 :: 1.312 HG22 :: 1.312 HG23 :: 1.312 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.430 Ave N Shift Values>> N :: 115.42(4.75) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.18 R 0.18 Y 0.13 L 0.11 C 0.09 I 0.04 D 0.02 G 0.01 C Shift Assignments>> C :: 178.590 CA :: 58.940 CB :: 42.440 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.814 HA :: 4.279 HB2 :: 1.867 HB3 :: 1.683 HG :: 1.745 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.060 Ave N Shift Values>> N :: 121.86(3.9) 1.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.320 CA :: 68.360 CB :: 67.570 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.405 HA :: 4.279 HB :: 3.661 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.600 Ave N Shift Values>> N :: 115.42(4.75) 1.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.29 C 0.14 I 0.09 D 0.06 L 0.06 N 0.01 K 0.01 C Shift Assignments>> C :: 178.390 CA :: 57.880 CB :: 39.780 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.430 HA :: 4.448 HB2 :: 2.936 HB3 :: 2.764 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.390 Ave N Shift Values>> N :: 120.65(3.86) 1.D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.19 Y 0.19 L 0.12 C 0.09 D 0.06 I 0.05 R 0.02 C Shift Assignments>> C :: 179.290 CA :: 58.150 CB :: 41.300 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.345 HA :: 4.445 HB2 :: 3.003 HB3 :: 2.939 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.060 Ave N Shift Values>> N :: 120.65(3.86) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 P 0.38 C 0.09 I 0.01 C Shift Assignments>> C :: 178.500 CA :: 65.360 CB :: 31.780 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.470 HA :: 4.284 HB :: 2.174 HG11 :: 1.221 HG12 :: 1.221 HG13 :: 1.221 HG21 :: 1.116 HG22 :: 1.116 HG23 :: 1.116 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.820 Ave N Shift Values>> N :: 121.14(4.54) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.040 CA :: 63.410 CB :: 62.780 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.155 HA :: 4.645 HB2 :: 3.999 HB3 :: 3.963 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.100 Ave N Shift Values>> N :: 116.28(3.52) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.14 E 0.14 I 0.12 Q 0.11 H 0.1 R 0.09 M 0.02 V 0.01 C Shift Assignments>> C :: 178.540 CA :: 59.270 CB :: 29.060 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.323 HA :: 4.107 HB2 :: 2.232 HB3 :: 2.158 HG2 :: 2.428 HG3 :: 2.329 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.240 Ave N Shift Values>> N :: 120.67(3.48) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 R 0.15 E 0.14 H 0.13 K 0.11 M 0.1 Q 0.07 V 0.05 C Shift Assignments>> C :: 179.580 CA :: 58.290 CB :: 31.280 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.845 HA :: 3.947 HB2 :: 1.881 HB3 :: 1.843 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 P 0.17 C 0.09 I 0.02 HN Overlap>> 1.R181 1.R181 C Shift Assignments>> C :: 178.340 CA :: 66.920 CB :: 31.630 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.960 HA :: 3.501 HB :: 2.163 HG11 :: 1.040 HG12 :: 1.040 HG13 :: 1.040 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.670 Ave N Shift Values>> N :: 121.14(4.54) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.470 CA :: 62.050 CB :: 62.940 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.992 HA :: 4.091 HB2 :: 4.034 HB3 :: 4.015 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.370 Ave N Shift Values>> N :: 116.28(3.52) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 E 0.17 H 0.14 R 0.13 Q 0.13 K 0.12 M 0.04 I 0.04 V 0.01 C Shift Assignments>> C :: 176.950 CA :: 58.310 CB :: 29.790 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.673 HA :: 4.169 HB2 :: 2.143 HB3 :: 2.096 HG2 :: 2.495 HG3 :: 2.378 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.990 Ave N Shift Values>> N :: 120.67(3.48) 1.N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.19 N 0.17 F 0.08 Y 0.06 K 0.06 C 0.05 C Shift Assignments>> C :: 174.500 CA :: 53.700 CB :: 40.860 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.741 HA :: 4.880 HB2 :: 2.958 HB3 :: 2.592 HD21 :: 7.609 HD22 :: 7.138 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.720 ND2 :: 114.780 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.27 D 0.14 K 0.05 G 0.05 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 177.130 CA :: 54.640 CB :: 43.290 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.382 HA :: 4.588 HB2 :: 1.845 HB3 :: 1.374 HG :: 1.601 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.420 Ave N Shift Values>> N :: 121.86(3.9) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.23 M 0.23 C 0.18 K 0.17 H 0.04 R 0.04 E 0.03 V 0.01 HN Overlap>> 1.A210 1.A210 C Shift Assignments>> C :: 177.100 CA :: 55.670 CB :: 33.970 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.725 HA :: 4.527 HB2 :: 1.996 HB3 :: 1.840 HG2 :: 1.568 HG3 :: 1.528 HD2 :: 1.770 HD3 :: 1.750 HE2 :: 3.075 HE3 :: 3.075 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.420 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 L 0.15 D 0.15 C 0.09 K 0.09 I 0.03 N 0.02 HN Overlap>> 1.A100 1.A100 C Shift Assignments>> C :: 177.360 CA :: 56.870 CB :: 40.690 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.631 HA :: 4.369 HB2 :: 2.824 HB3 :: 2.773 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.490 Ave N Shift Values>> N :: 120.65(3.86) 1.D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.21 D 0.18 L 0.12 C 0.11 N 0.07 I 0.03 K 0.01 C Shift Assignments>> C :: 177.840 CA :: 56.280 CB :: 39.980 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.616 HA :: 4.525 HB2 :: 2.776 HB3 :: 2.729 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.630 Ave N Shift Values>> N :: 120.65(3.86) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 E 0.17 R 0.16 H 0.15 Q 0.12 K 0.07 M 0.07 V 0.02 I 0.02 HN Overlap>> 1.V27 1.N184 1.V27 1.N184 C Shift Assignments>> C :: 179.010 CA :: 57.990 CB :: 30.460 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.032 HA :: 4.363 HB2 :: 2.168 HB3 :: 2.204 HG2 :: 2.394 HG3 :: 2.309 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.620 Ave N Shift Values>> N :: 120.67(3.48) 1.A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.3 I 0.05 C 0.02 C Shift Assignments>> C :: 179.760 CA :: 55.590 CB :: 18.040 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.173 HA :: 4.089 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.710 Ave N Shift Values>> N :: 123.23(3.54) 1.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.880 CA :: 61.340 CB :: 62.630 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.226 HA :: 4.369 HB2 :: 4.079 HB3 :: 4.043 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.350 Ave N Shift Values>> N :: 116.28(3.52) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.44 I 0.03 C 0.03 C Shift Assignments>> C :: 180.600 CA :: 55.080 CB :: 18.390 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.103 HA :: 4.336 HB1 :: 1.569 HB2 :: 1.569 HB3 :: 1.569 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.530 Ave N Shift Values>> N :: 123.23(3.54) 1.T136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S41 1.S41 C Shift Assignments>> C :: 175.090 CA :: 66.640 CB :: 68.720 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.112 HA :: 3.948 HB :: 4.222 HG21 :: 1.137 HG22 :: 1.137 HG23 :: 1.137 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.970 Ave N Shift Values>> N :: 115.42(4.75) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 E 0.14 I 0.12 R 0.1 K 0.1 H 0.1 Q 0.09 V 0.04 M 0.02 C Shift Assignments>> C :: 178.610 CA :: 59.790 CB :: 29.640 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.204 HA :: 4.140 HB2 :: 2.336 HB3 :: 2.253 HG2 :: 2.463 HG3 :: 2.441 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.350 Ave N Shift Values>> N :: 120.67(3.48) 1.H138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 R 0.14 E 0.13 H 0.11 K 0.1 V 0.08 M 0.07 Q 0.06 I 0.01 C Shift Assignments>> C :: 177.540 CA :: 59.160 CB :: 31.190 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.050 HA :: 3.992 HB2 :: 3.065 HB3 :: 2.998 HD2 :: 5.721 HE1 :: 7.544 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.880 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.130 CA :: 67.430 CB :: 68.400 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.243 HA :: 3.489 HB :: 4.298 HG21 :: 1.215 HG22 :: 1.215 HG23 :: 1.215 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.010 Ave N Shift Values>> N :: 115.42(4.75) 1.D140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 C 0.14 I 0.08 D 0.08 L 0.06 N 0.03 C Shift Assignments>> C :: 179.870 CA :: 57.480 CB :: 39.460 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.666 HA :: 4.331 HB2 :: 2.879 HB3 :: 2.481 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.830 Ave N Shift Values>> N :: 120.65(3.86) 1.I141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.24 V 0.15 Y 0.02 F 0.01 C Shift Assignments>> C :: 177.360 CA :: 64.530 CB :: 36.480 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.179 HA :: 3.392 HB :: 2.002 HG12 :: 1.621 HG13 :: 1.220 HG21 :: 0.818 HG22 :: 0.818 HG23 :: 0.818 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.260 Ave N Shift Values>> N :: 121.46(4.28) 1.K142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.28 P 0.12 R 0.06 E 0.05 K 0.05 H 0.04 M 0.03 I 0.03 Q 0.02 HN Overlap>> 1.L73 1.L73 C Shift Assignments>> C :: 179.850 CA :: 61.030 CB :: 31.510 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.449 HA :: 3.705 HB2 :: 1.788 HB3 :: 1.733 HG2 :: 1.428 HG3 :: 1.386 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 E 0.14 I 0.13 K 0.12 H 0.1 R 0.1 Q 0.1 V 0.03 M 0.02 HN Overlap>> 1.A226 1.N72 1.A226 1.N72 C Shift Assignments>> C :: 180.020 CA :: 59.670 CB :: 29.380 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.150 HA :: 4.109 HB2 :: 2.134 HB3 :: 2.098 HG2 :: 2.245 HG3 :: 2.223 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.770 Ave N Shift Values>> N :: 120.67(3.48) 1.K144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 V 0.31 K 0.1 Q 0.06 M 0.05 R 0.03 P 0.03 H 0.02 E 0.01 I 0.01 HN Overlap>> 1.Y54 1.Y54 1.A230 1.A230 C Shift Assignments>> C :: 179.380 CA :: 60.590 CB :: 33.290 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.081 HA :: 4.078 HB2 :: 1.635 HB3 :: 1.846 HG2 :: 1.508 HG3 :: 1.389 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 M 0.4 C 0.06 I 0.03 V 0.02 L 0.01 C Shift Assignments>> C :: 179.360 CA :: 55.590 CB :: 19.150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.835 HA :: 4.342 HB1 :: 1.710 HB2 :: 1.710 HB3 :: 1.710 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.370 Ave N Shift Values>> N :: 123.23(3.54) 1.T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.T115 1.T115 C Shift Assignments>> C :: 175.910 CA :: 67.210 CB :: 68.770 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.279 HA :: 3.929 HB :: 4.355 HG21 :: 1.275 HG22 :: 1.275 HG23 :: 1.275 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.460 Ave N Shift Values>> N :: 115.42(4.75) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 K 0.15 C 0.11 L 0.1 I 0.07 D 0.05 R 0.01 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 179.430 CA :: 58.490 CB :: 41.090 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.044 HA :: 4.205 HB2 :: 1.700 HB3 :: 1.650 HD11 :: 1.013 HD12 :: 1.013 HD13 :: 1.013 HD21 :: 0.995 HD22 :: 0.995 HD23 :: 0.995 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.430 Ave N Shift Values>> N :: 121.86(3.9) 1.L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.15 K 0.14 F 0.14 Y 0.09 C 0.08 D 0.03 G 0.02 I 0.02 C Shift Assignments>> C :: 179.080 CA :: 58.390 CB :: 42.880 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.549 HA :: 4.214 HB2 :: 1.700 HB3 :: 1.650 HD11 :: 0.970 HD12 :: 0.970 HD13 :: 0.970 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.520 Ave N Shift Values>> N :: 121.86(3.9) 1.Q149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 I 0.2 E 0.11 K 0.11 H 0.08 R 0.08 Q 0.07 V 0.03 M 0.01 HN Overlap>> 1.E57 1.E57 C Shift Assignments>> C :: 178.360 CA :: 60.260 CB :: 29.230 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.229 HA :: 3.851 HB2 :: 2.447 HB3 :: 1.962 HG2 :: 2.287 HG3 :: 2.206 HE21 :: 7.368 HE22 :: 6.799 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.170 NE2 :: 110.360 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 E 0.14 I 0.12 K 0.1 R 0.1 H 0.1 Q 0.09 V 0.04 M 0.02 HN Overlap>> 1.A94 1.A94 C Shift Assignments>> C :: 181.020 CA :: 59.810 CB :: 29.610 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.767 HA :: 4.165 HB2 :: 2.187 HB3 :: 2.106 HG2 :: 2.463 HG3 :: 2.333 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.700 Ave N Shift Values>> N :: 120.67(3.48) 1.S151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.050 CA :: 62.840 CB :: 62.630 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.110 HA :: 4.247 HB2 :: 4.131 HB3 :: 3.596 HG :: 4.602 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.770 Ave N Shift Values>> N :: 116.28(3.52) 1.C152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.41 C 0.09 C Shift Assignments>> C :: 176.740 CA :: 65.300 CB :: 26.550 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.429 HA :: 4.222 HB2 :: 2.998 HB3 :: 2.674 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.710 Ave N Shift Values>> N :: 120.17(4.64) 1.N153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.2 E 0.16 F 0.14 N 0.11 M 0.05 I 0.04 D 0.03 L 0.01 K 0.01 HN Overlap>> 1.K182 1.D160 1.K182 1.D160 C Shift Assignments>> C :: 179.080 CA :: 56.200 CB :: 37.500 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.388 HA :: 4.575 HB2 :: 3.057 HB3 :: 2.948 HD21 :: 7.627 HD22 :: 6.788 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.210 ND2 :: 110.580 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.09 P 0.04 L 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 176.750 CA :: 47.570 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.230 HA2 :: 4.135 HA3 :: 3.933 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.620 Ave N Shift Values>> N :: 109.67(3.87) 1.I155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.14 Y 0.02 F 0.02 V 0.01 C Shift Assignments>> C :: 177.810 CA :: 65.540 CB :: 38.090 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.775 HA :: 3.832 HB :: 2.150 HG12 :: 1.201 HG13 :: 1.139 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.750 Ave N Shift Values>> N :: 121.46(4.28) 1.G156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 P 0.3 A 0.12 C 0.09 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 175.540 CA :: 48.150 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.498 HA2 :: 3.285 HA3 :: 4.215 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.890 Ave N Shift Values>> N :: 109.67(3.87) 1.T157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.300 CA :: 65.930 CB :: 68.140 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.673 HA :: 4.228 HB :: 4.312 HG21 :: 1.312 HG22 :: 1.312 HG23 :: 1.312 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.810 Ave N Shift Values>> N :: 115.42(4.75) 1.I158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.16 V 0.04 Y 0.01 F 0.01 C Shift Assignments>> C :: 177.470 CA :: 66.310 CB :: 37.500 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.182 HA :: 3.444 HB :: 2.387 HG12 :: 1.336 HG13 :: 1.040 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.890 Ave N Shift Values>> N :: 121.46(4.28) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 C 0.13 I 0.09 L 0.07 D 0.06 K 0.01 N 0.01 C Shift Assignments>> C :: 177.660 CA :: 57.990 CB :: 40.010 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.566 HA :: 3.976 HB2 :: 1.838 HB3 :: 1.370 HG :: 1.079 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.507 HD22 :: 0.507 HD23 :: 0.507 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.500 Ave N Shift Values>> N :: 121.86(3.9) 1.D160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 C 0.14 I 0.1 L 0.06 D 0.06 N 0.01 K 0.01 HN Overlap>> 1.N153 1.K182 1.N153 1.K182 C Shift Assignments>> C :: 179.400 CA :: 58.050 CB :: 39.840 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.390 HA :: 4.312 HB2 :: 2.860 HB3 :: 2.638 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.230 Ave N Shift Values>> N :: 120.65(3.86) 1.K161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 R 0.15 K 0.14 M 0.14 H 0.13 E 0.12 Q 0.06 V 0.03 HN Overlap>> 1.K45 1.K45 C Shift Assignments>> C :: 180.020 CA :: 57.720 CB :: 31.630 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.531 HA :: 4.169 HB2 :: 2.230 HB3 :: 2.089 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.360 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.21 Y 0.15 L 0.11 C 0.09 R 0.07 I 0.04 D 0.04 HN Overlap>> 1.D63 1.D63 1.L166 1.L166 C Shift Assignments>> C :: 177.610 CA :: 58.600 CB :: 41.850 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.861 HA :: 4.041 HB2 :: 2.232 HB3 :: 2.089 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 HD21 :: 0.834 HD22 :: 0.834 HD23 :: 0.834 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.360 Ave N Shift Values>> N :: 121.86(3.9) 1.A163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.42 C 0.01 I 0.01 HN Overlap>> 1.D179 1.D179 C Shift Assignments>> C :: 178.480 CA :: 53.920 CB :: 17.750 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.820 HA :: 4.169 HB1 :: 1.382 HB2 :: 1.382 HB3 :: 1.382 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.460 Ave N Shift Values>> N :: 123.23(3.54) 1.E164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 C 0.17 R 0.15 H 0.15 Q 0.13 K 0.1 M 0.05 I 0.03 V 0.02 C Shift Assignments>> C :: 177.710 CA :: 58.170 CB :: 30.050 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.919 HA :: 4.033 HB2 :: 2.137 HB3 :: 2.085 HG2 :: 2.385 HG3 :: 2.238 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.630 Ave N Shift Values>> N :: 120.67(3.48) 1.Y165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 Y 0.23 F 0.22 C 0.16 C Shift Assignments>> C :: 175.190 CA :: 60.770 CB :: 39.280 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.315 HA :: 4.266 HB2 :: 3.293 HB3 :: 3.153 HD1 :: 7.086 HD2 :: 7.086 HE1 :: 6.672 HE2 :: 6.672 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.800 Ave N Shift Values>> N :: 120.52(4.2) 1.L166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.24 D 0.17 K 0.06 G 0.05 F 0.04 C 0.04 Y 0.02 N 0.01 HN Overlap>> 1.L162 1.L162 C Shift Assignments>> C :: 173.730 CA :: 54.050 CB :: 43.170 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.836 HA :: 3.985 HB2 :: 1.770 HB3 :: 1.376 HG :: 1.091 HD11 :: 0.603 HD12 :: 0.603 HD13 :: 0.603 HD21 :: 0.328 HD22 :: 0.328 HD23 :: 0.328 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.310 Ave N Shift Values>> N :: 121.86(3.9) 1.N167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.12 D 0.08 Y 0.05 F 0.04 M 0.02 E 0.02 L 0.01 HN Overlap>> 1.D97 1.D97 C Shift Assignments>> C :: 173.710 CA :: 52.600 CB :: 37.880 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.324 HA :: 4.614 HB2 :: 2.932 HB3 :: 2.608 HD21 :: 7.407 HD22 :: 6.643 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.610 ND2 :: 110.360 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.19 C 0.07 L 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.860 CA :: 51.040 CB :: 39.310 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.825 HA :: 4.831 HB2 :: 3.272 HB3 :: 2.807 HD21 :: 7.423 HD22 :: 6.567 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.360 ND2 :: 109.190 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.12 L 0.1 D 0.08 I 0.07 K 0.04 N 0.01 HN Overlap>> 1.L233 1.L233 C Shift Assignments>> C :: 178.270 CA :: 57.820 CB :: 40.340 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.456 HA :: 4.278 HB2 :: 2.667 HB3 :: 2.636 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.740 Ave N Shift Values>> N :: 120.65(3.86) 1.T170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.430 CA :: 66.840 CB :: 68.510 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.794 HA :: 4.050 HB :: 4.364 HG21 :: 1.209 HG22 :: 1.209 HG23 :: 1.209 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.920 Ave N Shift Values>> N :: 115.42(4.75) 1.T171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.220 CA :: 65.700 CB :: 68.300 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.475 HA :: 4.052 HB :: 4.273 HG21 :: 1.269 HG22 :: 1.269 HG23 :: 1.269 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.320 Ave N Shift Values>> N :: 115.42(4.75) 1.Q172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 I 0.2 R 0.13 K 0.11 Q 0.1 E 0.09 H 0.07 L 0.03 C Shift Assignments>> C :: 179.330 CA :: 59.330 CB :: 27.980 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.672 HA :: 4.118 HB2 :: 2.187 HB3 :: 2.119 HG2 :: 2.527 HG3 :: 2.472 HE21 :: 7.265 HE22 :: 6.681 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.890 NE2 :: 110.720 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.22 C 0.18 N 0.08 D 0.07 I 0.06 E 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 177.660 CA :: 56.630 CB :: 38.440 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.021 HA :: 4.582 HB2 :: 3.025 HB3 :: 2.939 HD21 :: 7.006 HD22 :: 7.560 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.080 ND2 :: 113.220 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.12 F 0.03 Y 0.03 HN Overlap>> 1.E47 1.E47 1.K22 1.K22 C Shift Assignments>> C :: 177.820 CA :: 65.520 CB :: 38.870 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.846 HA :: 3.959 HB :: 1.802 HG12 :: 1.486 HG13 :: 1.218 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.140 Ave N Shift Values>> N :: 121.46(4.28) 1.K175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.22 R 0.09 E 0.08 K 0.07 H 0.06 P 0.06 M 0.04 Q 0.03 I 0.02 HN Overlap>> 1.E91 1.E91 C Shift Assignments>> C :: 178.280 CA :: 60.520 CB :: 31.450 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.366 HA :: 4.033 HB2 :: 2.020 HB3 :: 1.767 HG2 :: 1.585 HG3 :: 1.585 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.650 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.21 K 0.12 R 0.08 M 0.07 H 0.06 E 0.06 Q 0.04 P 0.02 C Shift Assignments>> C :: 179.530 CA :: 59.900 CB :: 32.300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.766 HA :: 4.192 HB2 :: 2.087 HB3 :: 2.049 HG2 :: 1.771 HG3 :: 1.513 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.160 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.14 E 0.14 Q 0.11 I 0.11 H 0.11 R 0.09 M 0.02 V 0.01 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> C :: 179.440 CA :: 59.180 CB :: 29.090 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.047 HA :: 4.134 HB2 :: 2.248 HB3 :: 2.116 HG2 :: 2.410 HG3 :: 2.347 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.040 Ave N Shift Values>> N :: 120.67(3.48) 1.F178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.14 F 0.12 Y 0.1 C Shift Assignments>> C :: 176.960 CA :: 63.410 CB :: 40.220 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.211 HA :: 3.839 HB2 :: 3.315 HB3 :: 2.925 HD1 :: 7.409 HD2 :: 7.409 HE1 :: 7.132 HE2 :: 7.132 HZ :: 7.435 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.780 Ave N Shift Values>> N :: 120.45(4.18) 1.D179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.12 L 0.1 D 0.08 I 0.07 K 0.05 N 0.01 HN Overlap>> 1.A163 1.A163 C Shift Assignments>> C :: 179.720 CA :: 57.780 CB :: 40.450 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.774 HA :: 4.412 HB2 :: 2.979 HB3 :: 2.674 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.430 Ave N Shift Values>> N :: 120.65(3.86) 1.E180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 I 0.14 K 0.14 E 0.13 Q 0.1 H 0.1 R 0.09 V 0.02 M 0.01 C Shift Assignments>> C :: 179.110 CA :: 59.510 CB :: 29.090 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.925 HA :: 4.070 HB2 :: 2.242 HB3 :: 2.139 HG2 :: 2.405 HG3 :: 2.370 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.280 Ave N Shift Values>> N :: 120.67(3.48) 1.R181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 E 0.17 H 0.13 Q 0.13 R 0.13 K 0.13 I 0.05 M 0.03 V 0.01 HN Overlap>> 1.V124 1.V124 C Shift Assignments>> C :: 179.100 CA :: 58.430 CB :: 29.670 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.979 HA :: 4.226 HB2 :: 1.959 HB3 :: 1.829 HG2 :: 2.125 HG3 :: 1.532 HD2 :: 3.273 HD3 :: 3.149 HE :: 7.876 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.580 NE :: 85.120 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.26 K 0.09 R 0.07 P 0.06 E 0.06 H 0.05 M 0.05 Q 0.02 I 0.01 HN Overlap>> 1.K218 1.N153 1.N6 1.K218 1.N153 1.N6 1.D160 1.D160 C Shift Assignments>> C :: 179.580 CA :: 60.460 CB :: 32.010 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.469 HA :: 3.714 HB2 :: 1.827 HB3 :: 1.603 HG2 :: 1.354 HG3 :: 1.239 HD2 :: 1.880 HD3 :: 1.860 HE2 :: 3.083 HE3 :: 3.083 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.190 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.18 R 0.1 K 0.1 E 0.08 H 0.08 M 0.07 Q 0.03 P 0.02 I 0.01 C Shift Assignments>> C :: 179.680 CA :: 59.940 CB :: 31.720 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.021 HA :: 4.046 HB2 :: 1.986 HB3 :: 1.697 HG2 :: 1.605 HG3 :: 1.419 HE2 :: 2.957 HE3 :: 2.957 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.2 Y 0.16 N 0.13 F 0.11 M 0.07 I 0.02 D 0.02 K 0.01 HN Overlap>> 1.E132 1.E132 C Shift Assignments>> C :: 178.170 CA :: 55.770 CB :: 37.180 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.070 HA :: 4.504 HB2 :: 3.129 HB3 :: 2.742 HD21 :: 8.070 HD22 :: 6.898 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.700 ND2 :: 111.940 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.21 Y 0.16 C 0.11 R 0.1 L 0.08 I 0.07 D 0.02 C Shift Assignments>> C :: 178.270 CA :: 59.450 CB :: 42.090 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.686 HA :: 3.969 HB2 :: 2.078 HB3 :: 1.885 HG :: 1.977 HD11 :: 1.574 HD12 :: 1.574 HD13 :: 1.574 HD21 :: 0.868 HD22 :: 0.868 HD23 :: 0.868 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.900 Ave N Shift Values>> N :: 121.86(3.9) 1.T186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.490 CA :: 67.100 CB :: 68.820 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.034 HA :: 3.891 HB :: 4.366 HG21 :: 1.265 HG22 :: 1.265 HG23 :: 1.265 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.140 Ave N Shift Values>> N :: 115.42(4.75) 1.S187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.750 CA :: 61.580 CB :: 62.730 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.951 HA :: 4.278 HB2 :: 4.048 HB3 :: 3.989 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.110 Ave N Shift Values>> N :: 116.28(3.52) 1.L188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.16 K 0.14 F 0.13 Y 0.09 C 0.08 D 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 178.680 CA :: 58.190 CB :: 42.910 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.338 HA :: 3.939 HB2 :: 1.823 HB3 :: 1.977 HG :: 1.341 HD11 :: 1.036 HD12 :: 1.036 HD13 :: 1.036 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.440 Ave N Shift Values>> N :: 121.86(3.9) 1.K189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.27 K 0.08 R 0.07 P 0.06 E 0.05 H 0.05 M 0.05 Q 0.02 I 0.01 HN Overlap>> 1.L35 1.L35 C Shift Assignments>> C :: 178.140 CA :: 60.540 CB :: 32.040 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.353 HA :: 3.924 HB2 :: 2.163 HB3 :: 1.901 HG2 :: 1.579 HG3 :: 1.518 HD2 :: 1.610 HD3 :: 1.590 HE2 :: 2.910 HE3 :: 2.910 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.480 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.650 CA :: 66.170 CB :: 69.130 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.533 HA :: 4.026 HB :: 4.265 HG21 :: 1.306 HG22 :: 1.306 HG23 :: 1.306 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.460 Ave N Shift Values>> N :: 115.42(4.75) 1.K191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.17 K 0.13 R 0.1 M 0.08 H 0.08 E 0.07 Q 0.03 P 0.01 C Shift Assignments>> C :: 178.570 CA :: 59.650 CB :: 32.130 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.249 HA :: 4.117 HB2 :: 1.651 HB3 :: 1.446 HG2 :: 1.229 HG3 :: 1.158 HE2 :: 2.740 HE3 :: 2.740 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.850 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 P 0.35 C 0.09 I 0.02 HN Overlap>> 1.Q211 1.Q211 C Shift Assignments>> C :: 176.460 CA :: 65.620 CB :: 31.660 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.115 HA :: 3.844 HB :: 2.482 HG11 :: 1.318 HG12 :: 1.318 HG13 :: 1.318 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.350 Ave N Shift Values>> N :: 121.14(4.54) 1.E193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 E 0.17 R 0.14 H 0.14 Q 0.12 K 0.1 M 0.04 I 0.03 V 0.02 C Shift Assignments>> C :: 175.520 CA :: 58.370 CB :: 29.960 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.642 HA :: 3.736 HB2 :: 2.172 HB3 :: 2.122 HG2 :: 2.603 HG3 :: 2.485 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.100 Ave N Shift Values>> N :: 120.67(3.48) 1.N194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.19 C 0.08 F 0.05 Y 0.05 L 0.05 C Shift Assignments>> C :: 175.140 CA :: 52.640 CB :: 39.020 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.553 HA :: 4.811 HB2 :: 3.239 HB3 :: 2.861 HD21 :: 7.709 HD22 :: 7.079 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.710 ND2 :: 112.080 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.17 M 0.14 R 0.14 H 0.11 E 0.09 V 0.05 Q 0.05 C Shift Assignments>> C :: 175.710 CA :: 57.970 CB :: 32.040 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.470 HA :: 3.692 HB2 :: 1.701 HB3 :: 1.650 HG2 :: 1.447 HG3 :: 1.219 HD2 :: 1.440 HD3 :: 1.420 HE2 :: 3.015 HE3 :: 3.015 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.070 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.23 K 0.14 F 0.11 Y 0.08 N 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 177.110 CA :: 54.980 CB :: 41.330 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.244 HA :: 4.759 HB2 :: 2.855 HB3 :: 2.685 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.530 Ave N Shift Values>> N :: 120.65(3.86) 1.E197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.17 C 0.16 R 0.14 H 0.13 E 0.07 Q 0.06 V 0.01 C Shift Assignments>> C :: 176.490 CA :: 55.750 CB :: 32.130 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.763 HA :: 4.458 HB2 :: 2.432 HB3 :: 2.149 HG2 :: 2.480 HG3 :: 2.325 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.590 Ave N Shift Values>> N :: 120.67(3.48) 1.D198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 C 0.11 D 0.08 Y 0.05 F 0.04 M 0.01 L 0.01 E 0.01 C Shift Assignments>> C :: 175.790 CA :: 52.360 CB :: 37.940 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.589 HA :: 4.629 HB2 :: 2.690 HB3 :: 2.474 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.550 Ave N Shift Values>> N :: 120.65(3.86) 1.Y199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 Y 0.26 F 0.21 C 0.19 E 0.02 C Shift Assignments>> C :: 177.290 CA :: 59.770 CB :: 38.410 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.665 HA :: 4.337 HB2 :: 3.432 HB3 :: 3.361 HD1 :: 7.140 HD2 :: 7.140 HE1 :: 6.820 HE2 :: 6.820 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.450 Ave N Shift Values>> N :: 120.52(4.2) 1.V200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.1 P 0.08 I 0.04 C Shift Assignments>> C :: 178.460 CA :: 67.610 CB :: 31.340 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.807 HA :: 3.776 HB :: 1.941 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.870 HG22 :: 0.870 HG23 :: 0.870 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.020 Ave N Shift Values>> N :: 121.14(4.54) 1.T201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.550 CA :: 66.680 CB :: 67.520 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.130 HA :: 3.804 HB :: 3.708 HG21 :: 1.040 HG22 :: 1.040 HG23 :: 1.040 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.810 Ave N Shift Values>> N :: 115.42(4.75) 1.H202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.17 R 0.14 H 0.13 Q 0.1 K 0.06 M 0.05 V 0.04 I 0.04 C Shift Assignments>> C :: 177.620 CA :: 59.020 CB :: 30.370 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.739 HA :: 4.641 HB2 :: 3.351 HB3 :: 3.027 HD2 :: 6.724 HE1 :: 8.001 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.940 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 Y 0.18 F 0.17 C 0.15 HN Overlap>> 1.K65 1.I110 1.K65 1.I110 C Shift Assignments>> C :: 176.540 CA :: 61.700 CB :: 39.370 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.657 HA :: 4.216 HB2 :: 3.360 HB3 :: 3.324 HD1 :: 7.282 HD2 :: 7.282 HE1 :: 7.207 HE2 :: 7.207 HZ :: 7.293 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.660 Ave N Shift Values>> N :: 120.45(4.18) 1.R204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 I 0.17 K 0.14 E 0.12 Q 0.1 H 0.09 R 0.08 V 0.01 M 0.01 C Shift Assignments>> C :: 179.780 CA :: 59.610 CB :: 28.820 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.098 HA :: 3.795 HB2 :: 2.067 HB3 :: 1.920 HG2 :: 1.726 HG3 :: 1.701 HD2 :: 3.228 HD3 :: 3.206 HE :: 7.149 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.090 NE :: 84.630 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.08 I 0.07 N 0.02 K 0.01 HN Overlap>> 1.A86 1.A86 C Shift Assignments>> C :: 178.990 CA :: 57.440 CB :: 39.780 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.159 HA :: 4.482 HB2 :: 2.986 HB3 :: 2.726 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.090 Ave N Shift Values>> N :: 120.65(3.86) 1.M206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 V 0.25 K 0.12 R 0.06 M 0.06 Q 0.05 H 0.05 E 0.04 P 0.03 C Shift Assignments>> C :: 177.260 CA :: 60.180 CB :: 32.680 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.409 HA :: 3.719 HB2 :: 2.274 HB3 :: 2.115 HG2 :: 2.908 HG3 :: 2.458 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.470 Ave N Shift Values>> N :: 120.09(3.57) 1.A207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.18 I 0.06 C 0.02 C Shift Assignments>> C :: 180.590 CA :: 55.690 CB :: 17.110 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.257 HA :: 3.872 HB1 :: 1.243 HB2 :: 1.243 HB3 :: 1.243 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.540 Ave N Shift Values>> N :: 123.23(3.54) 1.T208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.580 CA :: 66.580 CB :: 68.610 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.929 HA :: 3.953 HB :: 4.336 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.610 Ave N Shift Values>> N :: 115.42(4.75) 1.E209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 E 0.14 K 0.14 Q 0.11 I 0.11 H 0.11 R 0.1 M 0.02 V 0.01 HN Overlap>> 1.A230 1.A230 C Shift Assignments>> C :: 179.130 CA :: 59.200 CB :: 29.150 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.134 HA :: 4.302 HB2 :: 2.125 HB3 :: 2.090 HG2 :: 2.377 HG3 :: 2.355 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.020 Ave N Shift Values>> N :: 120.67(3.48) 1.A210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.36 C 0.04 I 0.02 V 0.01 L 0.01 HN Overlap>> 1.K129 1.K129 C Shift Assignments>> C :: 179.200 CA :: 55.100 CB :: 19.040 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.695 HA :: 4.038 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.510 Ave N Shift Values>> N :: 123.23(3.54) 1.Q211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 I 0.2 K 0.12 R 0.11 Q 0.1 E 0.1 H 0.08 L 0.02 HN Overlap>> 1.V192 1.V192 C Shift Assignments>> C :: 176.410 CA :: 59.430 CB :: 28.180 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.111 HA :: 3.971 HB2 :: 2.205 HB3 :: 2.323 HG2 :: 2.383 HG3 :: 2.551 HE21 :: 7.421 HE22 :: 6.838 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.360 NE2 :: 111.440 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.19 E 0.16 F 0.14 N 0.12 M 0.05 I 0.03 D 0.03 L 0.01 K 0.01 HN Overlap>> 1.D234 1.F69 1.D234 1.F69 C Shift Assignments>> C :: 178.310 CA :: 56.080 CB :: 37.500 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.331 HA :: 4.603 HB2 :: 2.996 HB3 :: 2.694 HD21 :: 7.108 HD22 :: 7.024 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.890 ND2 :: 112.250 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 A 0.11 I 0.1 C 0.02 C Shift Assignments>> C :: 179.950 CA :: 56.360 CB :: 17.080 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.756 HA :: 4.046 HB1 :: 1.469 HB2 :: 1.469 HB3 :: 1.469 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.440 Ave N Shift Values>> N :: 123.23(3.54) 1.V214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.09 P 0.07 I 0.03 C Shift Assignments>> C :: 178.050 CA :: 67.710 CB :: 31.480 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.548 HA :: 3.765 HB :: 2.306 HG11 :: 1.207 HG12 :: 1.207 HG13 :: 1.207 HG21 :: 1.075 HG22 :: 1.075 HG23 :: 1.075 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.920 Ave N Shift Values>> N :: 121.14(4.54) 1.G215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.1 P 0.08 A 0.06 L 0.03 N 0.01 C Shift Assignments>> C :: 176.980 CA :: 47.750 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.455 HA2 :: 4.155 HA3 :: 3.834 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.400 Ave N Shift Values>> N :: 109.67(3.87) 1.E216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.16 E 0.13 Q 0.13 I 0.11 H 0.11 R 0.08 L 0.01 M 0.01 C Shift Assignments>> C :: 178.230 CA :: 58.760 CB :: 28.650 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.747 HA :: 4.344 HB2 :: 2.282 HB3 :: 2.236 HG2 :: 2.754 HG3 :: 2.553 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.410 Ave N Shift Values>> N :: 120.67(3.48) 1.V217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 I 0.14 C 0.13 P 0.1 C Shift Assignments>> C :: 178.630 CA :: 67.250 CB :: 30.520 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.561 HA :: 3.489 HB :: 2.371 HG11 :: 1.029 HG12 :: 1.029 HG13 :: 1.029 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.270 Ave N Shift Values>> N :: 121.14(4.54) 1.K218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.26 P 0.12 R 0.06 E 0.06 K 0.05 H 0.05 I 0.03 M 0.03 Q 0.02 HN Overlap>> 1.N6 1.K182 1.N6 1.K182 C Shift Assignments>> C :: 178.650 CA :: 61.050 CB :: 31.370 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.555 HA :: 3.924 HB2 :: 2.225 HB3 :: 2.025 HG2 :: 1.523 HG3 :: 1.482 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.190 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.21 K 0.13 M 0.07 R 0.07 Q 0.06 H 0.05 E 0.04 P 0.01 HN Overlap>> 1.N26 1.N26 C Shift Assignments>> C :: 180.160 CA :: 59.870 CB :: 32.740 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.628 HA :: 4.176 HB2 :: 2.225 HB3 :: 1.782 HG2 :: 1.512 HG3 :: 1.474 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.130 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.39 I 0.03 C 0.03 C Shift Assignments>> C :: 178.660 CA :: 55.290 CB :: 18.340 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.913 HA :: 3.962 HB1 :: 1.504 HB2 :: 1.504 HB3 :: 1.504 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.810 Ave N Shift Values>> N :: 123.23(3.54) 1.I221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.14 V 0.03 C Shift Assignments>> C :: 177.110 CA :: 67.010 CB :: 37.820 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.422 HA :: 3.369 HB :: 2.215 HG12 :: 1.979 HG13 :: 1.831 HG21 :: 1.065 HG22 :: 1.065 HG23 :: 1.065 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.500 Ave N Shift Values>> N :: 121.46(4.28) 1.D222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.12 L 0.1 D 0.09 I 0.06 K 0.03 N 0.02 HN Overlap>> 1.H227 1.H227 C Shift Assignments>> C :: 179.300 CA :: 57.540 CB :: 40.190 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.196 HA :: 4.281 HB2 :: 2.772 HB3 :: 2.645 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.980 Ave N Shift Values>> N :: 120.65(3.86) 1.A223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.31 I 0.03 C 0.01 C Shift Assignments>> C :: 180.650 CA :: 54.980 CB :: 17.340 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.894 HA :: 4.222 HB1 :: 1.463 HB2 :: 1.463 HB3 :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.930 Ave N Shift Values>> N :: 123.23(3.54) 1.V224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.1 P 0.07 I 0.04 C Shift Assignments>> C :: 177.510 CA :: 67.750 CB :: 31.310 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.263 HA :: 3.686 HB :: 2.208 HG11 :: 1.229 HG12 :: 1.229 HG13 :: 1.229 HG21 :: 0.670 HG22 :: 0.670 HG23 :: 0.670 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.970 Ave N Shift Values>> N :: 121.14(4.54) 1.V225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.09 P 0.06 I 0.02 C Shift Assignments>> C :: 177.650 CA :: 67.840 CB :: 31.570 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.463 HA :: 3.156 HB :: 2.029 HG11 :: 0.855 HG12 :: 0.855 HG13 :: 0.855 HG21 :: 0.524 HG22 :: 0.524 HG23 :: 0.524 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.070 Ave N Shift Values>> N :: 121.14(4.54) 1.A226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.35 I 0.03 C 0.02 HN Overlap>> 1.E143 1.E143 1.N72 1.N72 C Shift Assignments>> C :: 180.890 CA :: 55.200 CB :: 17.960 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.134 HA :: 4.051 HB1 :: 1.508 HB2 :: 1.508 HB3 :: 1.508 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.740 Ave N Shift Values>> N :: 123.23(3.54) 1.H227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.14 E 0.11 R 0.11 H 0.09 K 0.07 Q 0.05 M 0.04 I 0.04 P 0.02 HN Overlap>> 1.D222 1.D222 C Shift Assignments>> C :: 176.750 CA :: 60.120 CB :: 30.990 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.152 HA :: 4.328 HB2 :: 3.393 HB3 :: 3.249 HD2 :: 7.026 HE1 :: 7.866 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.020 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R228 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.27 E 0.13 I 0.12 R 0.1 H 0.09 V 0.08 Q 0.07 K 0.07 M 0.02 P 0.01 C Shift Assignments>> C :: 178.200 CA :: 60.280 CB :: 30.020 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.158 HA :: 3.813 HB2 :: 1.877 HB3 :: 1.748 HG2 :: 1.651 HG3 :: 1.601 HE :: 5.949 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.220 NE :: 77.830(S) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.24 K 0.12 R 0.07 M 0.06 H 0.05 E 0.04 Q 0.04 P 0.02 C Shift Assignments>> C :: 180.610 CA :: 60.080 CB :: 32.530 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.218 HA :: 4.163 HB2 :: 1.879 HB3 :: 1.831 HG2 :: 1.512 HG3 :: 1.417 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.43 I 0.02 C 0.02 HN Overlap>> 1.E209 1.K144 1.E209 1.K144 C Shift Assignments>> C :: 179.350 CA :: 54.920 CB :: 18.100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.107 HA :: 4.107 HB1 :: 1.519 HB2 :: 1.519 HB3 :: 1.519 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.990 Ave N Shift Values>> N :: 123.23(3.54) 1.E231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.16 Q 0.16 E 0.14 C 0.13 K 0.09 M 0.08 C Shift Assignments>> C :: 175.320 CA :: 55.590 CB :: 30.080 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.512 HA :: 4.217 HB2 :: 1.820 HB3 :: 1.603 HG2 :: 2.216 HG3 :: 1.915 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.260 Ave N Shift Values>> N :: 120.67(3.48) 1.N232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.21 E 0.17 Y 0.11 M 0.08 F 0.07 D 0.03 K 0.01 I 0.01 C Shift Assignments>> C :: 174.360 CA :: 54.720 CB :: 37.030 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.805 HA :: 4.322 HB2 :: 2.835 HB3 :: 3.112 HD21 :: 7.418 HD22 :: 6.745 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.050 ND2 :: 112.230 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 G 0.26 R 0.18 D 0.1 C 0.04 F 0.02 Y 0.01 HN Overlap>> 1.D169 1.D169 C Shift Assignments>> C :: 176.380 CA :: 53.480 CB :: 44.020 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.396 HA :: 4.452 HB2 :: 1.653 HB3 :: 1.605 HG :: 1.323 HD11 :: 0.968 HD12 :: 0.968 HD13 :: 0.968 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.800 Ave N Shift Values>> N :: 121.86(3.9) 1.D234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.22 K 0.14 F 0.13 Y 0.1 C 0.06 N 0.05 R 0.01 HN Overlap>> 1.N212 1.N212 1.F69 1.F69 C Shift Assignments>> C :: 176.250 CA :: 55.410 CB :: 41.150 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.363 HA :: 4.424 HB2 :: 2.617 HB3 :: 2.560 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.860 Ave N Shift Values>> N :: 120.65(3.86) 1.V235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.4 C 0.33 P 0.04 K 0.04 I 0.04 Q 0.03 M 0.02 E 0.01 R 0.01 Y 0.01 C Shift Assignments>> C :: 171.750 CA :: 61.580 CB :: 34.080 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.270 HA :: 4.271 HB :: 1.998 HG11 :: 0.945 HG12 :: 0.945 HG13 :: 0.945 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.240 Ave N Shift Values>> N :: 121.14(4.54) 1.D236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.25 L 0.17 C 0.05 F 0.05 K 0.04 Y 0.03 C Shift Assignments>> C :: 176.290 CA :: 52.300 CB :: 40.920 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.531 HA :: 4.930 HB2 :: 3.061 HB3 :: 2.529 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.460 Ave N Shift Values>> N :: 120.65(3.86) 1.D237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 K 0.16 L 0.13 C 0.1 D 0.08 I 0.05 R 0.01 C Shift Assignments>> C :: 178.700 CA :: 57.900 CB :: 41.120 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.676 HA :: 4.337 HB2 :: 2.701 HB3 :: 2.670 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.080 Ave N Shift Values>> N :: 120.65(3.86) 1.T238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.800 CA :: 65.970 CB :: 67.990 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.292 HA :: 4.009 HB :: 4.205 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.860 Ave N Shift Values>> N :: 115.42(4.75) 1.L239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.2 Y 0.17 C 0.11 I 0.09 R 0.07 L 0.07 D 0.01 C Shift Assignments>> C :: 177.980 CA :: 59.690 CB :: 41.940 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.419 HA :: 3.606 HB2 :: 1.955 HB3 :: 1.496 HG :: 1.049 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 HD21 :: 0.301 HD22 :: 0.301 HD23 :: 0.301 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.780 Ave N Shift Values>> N :: 121.86(3.9) 1.F240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.14 Y 0.07 F 0.07 C Shift Assignments>> C :: 178.450 CA :: 63.790 CB :: 39.020 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.216 HA :: 3.932 HB2 :: 3.015 HB3 :: 2.692 HD1 :: 7.201 HD2 :: 7.201 HE1 :: 7.080 HE2 :: 7.080 HZ :: 7.305 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.840 Ave N Shift Values>> N :: 120.45(4.18) 1.S241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.320 CA :: 61.820 CB :: 62.680 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.708 HA :: 4.407 HB2 :: 4.038 HB3 :: 3.983 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.040 Ave N Shift Values>> N :: 116.28(3.52) 1.N242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.23 C 0.22 N 0.16 Y 0.11 M 0.09 F 0.07 K 0.02 D 0.01 I 0.01 C Shift Assignments>> C :: 178.580 CA :: 55.200 CB :: 36.800 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.561 HA :: 4.528 HB2 :: 3.013 HB3 :: 2.534 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.210 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L243 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.21 Y 0.16 L 0.12 C 0.09 R 0.06 D 0.04 I 0.04 C Shift Assignments>> C :: 177.150 CA :: 58.410 CB :: 41.770 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.543 HA :: 4.095 HB2 :: 2.093 HB3 :: 1.475 HG :: 1.368 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 HD21 :: 0.718 HD22 :: 0.718 HD23 :: 0.718 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.500 Ave N Shift Values>> N :: 121.86(3.9) 1.S244 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.610 CA :: 63.450 CB :: 62.950 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.019 HA :: 4.232 HB2 :: 4.007 HB3 :: 3.901 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.200 Ave N Shift Values>> N :: 116.28(3.52) 1.T245 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.710 CA :: 66.210 CB :: 69.030 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.952 HA :: 4.112 HB :: 4.193 HG21 :: 1.288 HG22 :: 1.288 HG23 :: 1.288 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.060 Ave N Shift Values>> N :: 115.42(4.75) 1.L246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 K 0.19 Y 0.19 L 0.11 C 0.1 I 0.06 D 0.05 R 0.02 C Shift Assignments>> C :: 178.380 CA :: 58.430 CB :: 41.360 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.098 HA :: 4.235 HB2 :: 2.267 HB3 :: 1.502 HG :: 1.553 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.670 Ave N Shift Values>> N :: 121.86(3.9) 1.L247 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.12 K 0.1 I 0.09 L 0.08 D 0.04 HN Overlap>> 1.K81 1.T253 1.K81 1.T253 C Shift Assignments>> C :: 178.240 CA :: 58.700 CB :: 40.830 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.266 HA :: 3.944 HB2 :: 2.128 HB3 :: 1.486 HG :: 1.221 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.120 Ave N Shift Values>> N :: 121.86(3.9) 1.D248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.11 C 0.11 D 0.09 K 0.06 I 0.06 N 0.01 C Shift Assignments>> C :: 178.870 CA :: 57.640 CB :: 40.510 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.539 HA :: 4.417 HB2 :: 2.989 HB3 :: 2.657 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.240 Ave N Shift Values>> N :: 120.65(3.86) 1.T249 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.880 CA :: 66.680 CB :: 68.820 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.200 HA :: 3.927 HB :: 4.505 HG21 :: 1.401 HG22 :: 1.401 HG23 :: 1.401 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.060 Ave N Shift Values>> N :: 115.42(4.75) 1.I250 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.14 V 0.02 Y 0.01 F 0.01 HN Overlap>> 1.A100 1.A100 C Shift Assignments>> C :: 177.560 CA :: 65.930 CB :: 37.910 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.601 HA :: 3.564 HB :: 2.192 HG12 :: 1.211 HG13 :: 1.179 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.360 Ave N Shift Values>> N :: 121.46(4.28) 1.I251 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 Y 0.26 F 0.25 C 0.16 L 0.01 C Shift Assignments>> C :: 175.970 CA :: 60.180 CB :: 39.430 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.434 HA :: 4.278 HB :: 1.941 HG12 :: 1.492 HG13 :: 1.466 HG21 :: 1.006 HG22 :: 1.006 HG23 :: 1.006 HD11 :: 0.912 HD12 :: 0.912 HD13 :: 0.912 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.730 Ave N Shift Values>> N :: 121.46(4.28) 1.E252 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 Q 0.15 C 0.15 K 0.14 H 0.14 R 0.13 M 0.04 I 0.03 C Shift Assignments>> C :: 176.750 CA :: 57.620 CB :: 29.500 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.501 HA :: 4.226 HB2 :: 2.166 HB3 :: 2.112 HG2 :: 2.488 HG3 :: 2.359 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.670 Ave N Shift Values>> N :: 120.67(3.48) 1.T253 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.L247 1.K81 1.L43 1.L247 1.K81 1.L43 C Shift Assignments>> C :: 173.050 CA :: 61.780 CB :: 70.490 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.203 HA :: 4.571 HB :: 4.305 HG21 :: 1.326 HG22 :: 1.326 HG23 :: 1.326 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.090 Ave N Shift Values>> N :: 115.42(4.75) 1.S254 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 :: 178.630 CA :: 60.140 CB :: 64.810 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.022 HA :: 4.329 HB2 :: 3.965 HB3 :: 3.933 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 124.350 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 252 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 252 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 254 #Suspicious: 0 C Shift Results: #Consistent: 748 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1713 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 270 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.N72 HD21 = 10.210(S), Expected = 7.35, Std = 0.4800, ChiSquare = 2.5482e-09 1.N72 ND2 = 120.420(S), Expected = 112.75, Std = 2.2300, ChiSquare = 5.8287e-04 1.R228 NE = 77.830(S), Expected = 84.63, Std = 1.6800, ChiSquare = 5.1741e-05