Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.4 C 0.35 M 0.1 K 0.05 Q 0.05 I 0.02 C Shift Assignments>> C :: 176.610 CA :: 56.829 CB :: 30.370 CG :: 36.310 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>> HA :: 4.356 HB2 :: 2.081 HB3 :: 1.920 HG2 :: 2.269 HG3 :: 2.269 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) 1.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.274 CA :: 61.449 CB :: 38.730 CG1 :: 27.520 CG2 :: 17.571 CD1 :: 13.121 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 :: 8.208 HA :: 4.120 HB :: 1.823 HG12 :: 1.443 HG13 :: 1.163 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 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 :: 121.028 Ave N Shift Values>> N :: 121.46(4.28) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.06 K 0.05 I 0.05 Q 0.03 C Shift Assignments>> C :: 176.568 CA :: 57.129 CB :: 30.080 CG :: 36.560 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 :: 8.384 HA :: 4.210 HB2 :: 2.017 HB3 :: 1.938 HG2 :: 2.240 HG3 :: 2.240 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 :: 124.495 Ave N Shift Values>> N :: 120.67(3.48) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 M 0.12 Q 0.04 K 0.03 I 0.02 C Shift Assignments>> C :: 176.322 CA :: 56.829 CB :: 30.580 CG :: 36.400 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 :: 8.318 HA :: 4.222 HB2 :: 1.997 HB3 :: 1.927 HG2 :: 2.240 HG3 :: 2.200 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 :: 122.035 Ave N Shift Values>> N :: 120.67(3.48) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.12 F 0.1 N 0.08 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.D132 2.D2 1.D132 2.D2 C Shift Assignments>> C :: 177.052 CA :: 54.609 CB :: 41.250 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 :: 8.354 HA :: 4.559 HB2 :: 2.739 HB3 :: 2.609 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 :: 121.613 Ave N Shift Values>> N :: 120.65(3.86) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.35 R 0.02 HN Overlap>> 1.V154 1.V154 C Shift Assignments>> C :: 177.969 CA :: 56.639 CB :: 41.900 CG :: 27.070 CD1 :: 24.730 CD2 :: 23.770 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 :: 8.280 HA :: 4.120 HB2 :: 1.680 HB3 :: 1.567 HG :: 1.644 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 124.044 Ave N Shift Values>> N :: 121.86(3.9) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 Y 0.15 C 0.14 F 0.13 D 0.12 L 0.04 E 0.03 M 0.01 I 0.01 HN Overlap>> 1.S139 1.S139 C Shift Assignments>> C :: 176.253 CA :: 54.819 CB :: 38.390 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 :: 8.304 HA :: 4.462 HB2 :: 2.811 HB3 :: 2.737 HD21 :: 7.720 HD22 :: 6.885 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 :: 117.941 ND2 :: 113.102 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.37 R 0.02 C Shift Assignments>> C :: 178.992 CA :: 57.019 CB :: 41.780 CG :: 27.040 CD1 :: 25.120 CD2 :: 23.330 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 :: 7.824 HA :: 4.054 HB2 :: 1.704 HB3 :: 1.556 HG :: 1.638 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 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 :: 119.908 Ave N Shift Values>> N :: 121.86(3.9) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.12 C Shift Assignments>> C :: 178.640 CA :: 58.909 CB :: 32.290 CG :: 25.050 CD :: 28.970 CE :: 42.170 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 :: 7.909 HA :: 4.038 HB2 :: 1.861 HB3 :: 1.861 HG2 :: 1.477 HG3 :: 1.411 HD2 :: 1.640 HD3 :: 1.640 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 :: 120.458 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 176.957 CA :: 63.069 CB :: 37.890 CG1 :: 28.580 CG2 :: 16.881 CD1 :: 12.901 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 :: 7.664 HA :: 3.939 HB :: 1.786 HG12 :: 1.283 HG13 :: 0.971 HG21 :: 0.592 HG22 :: 0.592 HG23 :: 0.592 HD11 :: 0.508 HD12 :: 0.508 HD13 :: 0.508 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 :: 117.581 Ave N Shift Values>> N :: 121.46(4.28) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.44 A 0.01 C Shift Assignments>> C :: 179.328 CA :: 58.069 CB :: 40.350 CG :: 26.460 CD1 :: 24.650 CD2 :: 21.691 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 :: 7.441 HA :: 3.623 HB2 :: 1.616 HB3 :: 1.218 HG :: 1.466 HD11 :: 0.466 HD12 :: 0.466 HD13 :: 0.466 HD21 :: 0.219 HD22 :: 0.219 HD23 :: 0.219 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 :: 119.176 Ave N Shift Values>> N :: 121.86(3.9) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.32 I 0.19 K 0.07 Q 0.03 C Shift Assignments>> C :: 179.227 CA :: 59.349 CB :: 29.110 CG :: 36.280 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 :: 7.816 HA :: 4.034 HB2 :: 2.112 HB3 :: 2.112 HG2 :: 2.370 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 :: 118.407 Ave N Shift Values>> N :: 120.67(3.48) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.12 L 0.12 C 0.11 I 0.05 K 0.04 N 0.02 C Shift Assignments>> C :: 179.139 CA :: 57.229 CB :: 40.290 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 :: 7.885 HA :: 4.431 HB2 :: 2.884 HB3 :: 2.688 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 :: 121.741 Ave N Shift Values>> N :: 120.65(3.86) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> 1.K123 1.K123 1.D132 1.D132 C Shift Assignments>> C :: 177.431 CA :: 65.399 CB :: 30.930 CG1 :: 22.971 CG2 :: 21.571 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 :: 8.294 HA :: 3.518 HB :: 2.121 HG11 :: 0.729 HG12 :: 0.729 HG13 :: 0.729 HG21 :: 0.133 HG22 :: 0.133 HG23 :: 0.133 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 :: 121.494 Ave N Shift Values>> N :: 121.14(4.54) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.4 R 0.05 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 177.660 CA :: 60.649 CB :: 32.890 CG :: 25.100 CD :: 29.990 CE :: 41.770 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 :: 8.103 HA :: 3.745 HB2 :: 1.975 HB3 :: 1.909 HG2 :: 1.516 HG3 :: 1.311 HD2 :: 1.697 HD3 :: 1.697 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 :: 119.138 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.07 C Shift Assignments>> C :: 179.541 CA :: 59.899 CB :: 32.970 CG :: 24.980 CD :: 29.560 CE :: 42.110 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 :: 7.824 HA :: 4.065 HB2 :: 2.000 HB3 :: 1.967 HG2 :: 1.640 HG3 :: 1.411 HD2 :: 1.763 HD3 :: 1.763 HE2 :: 3.017 HE3 :: 3.017 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 :: 116.165 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.35 R 0.06 HN Overlap>> 1.K67 1.K67 1.Q137 1.Q137 C Shift Assignments>> C :: 181.038 CA :: 57.349 CB :: 41.320 CG :: 28.380 CD1 :: 23.210 CD2 :: 25.440 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 :: 8.429 HA :: 4.570 HB2 :: 2.103 HB3 :: 1.770 HG :: 1.810 HD11 :: 1.126 HD12 :: 1.126 HD13 :: 1.126 HD21 :: 0.793 HD22 :: 0.793 HD23 :: 0.793 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 :: 120.155 Ave N Shift Values>> N :: 121.86(3.9) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 C 0.29 F 0.26 C Shift Assignments>> C :: 177.937 CA :: 62.099 CB :: 38.650 CD1 :: 132.770 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 :: 9.557 HA :: 4.127 HB2 :: 3.308 HB3 :: 2.975 HD1 :: 6.820 HD2 :: 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 :: 125.293 Ave N Shift Values>> N :: 120.52(4.2) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.4 R 0.04 HN Overlap>> 1.K16 1.K16 C Shift Assignments>> C :: 180.164 CA :: 57.769 CB :: 41.910 CG :: 27.220 CD1 :: 25.320 CD2 :: 22.971 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 :: 8.094 HA :: 3.972 HB2 :: 2.011 HB3 :: 1.638 HG :: 2.068 HD11 :: 0.958 HD12 :: 0.958 HD13 :: 0.958 HD21 :: 0.894 HD22 :: 0.894 HD23 :: 0.894 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 :: 119.240 Ave N Shift Values>> N :: 121.86(3.9) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.22 E 0.19 K 0.17 M 0.07 I 0.02 C Shift Assignments>> C :: 177.740 CA :: 58.389 CB :: 29.890 CG :: 34.580 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 :: 8.378 HA :: 4.265 HB2 :: 2.375 HB3 :: 2.203 HG2 :: 2.620 HG3 :: 2.492 HE21 :: 7.489 HE22 :: 6.859 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 :: 118.573 NE2 :: 111.300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.282 CA :: 60.819 CB :: 64.749 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.023 HA :: 4.539 HB2 :: 4.500 HB3 :: 4.049 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 :: 111.901 Ave N Shift Values>> N :: 116.28(3.52) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.32 C 0.27 C Shift Assignments>> C :: 175.997 CA :: 63.489 CB :: 40.210 CE1 :: 129.566 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 :: 7.479 HA :: 4.065 HB2 :: 3.182 HB3 :: 2.961 HE1 :: 7.326 HE2 :: 7.326 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 :: 121.304 Ave N Shift Values>> N :: 120.45(4.18) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.11 L 0.1 D 0.08 I 0.07 K 0.06 N 0.01 C Shift Assignments>> C :: 177.719 CA :: 57.879 CB :: 40.540 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 :: 8.814 HA :: 4.378 HB2 :: 2.677 HB3 :: 2.631 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 :: 118.055 Ave N Shift Values>> N :: 120.65(3.86) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.36 C Shift Assignments>> C :: 177.601 CA :: 59.209 CB :: 38.630 CD1 :: 132.971 CE1 :: 118.454 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 :: 7.722 HA :: 4.349 HB2 :: 3.176 HB3 :: 3.109 HD1 :: 7.057 HD2 :: 7.057 HE1 :: 6.773 HE2 :: 6.773 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 :: 120.754 Ave N Shift Values>> N :: 120.52(4.2) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 178.379 CA :: 63.949 CB :: 38.120 CG1 :: 28.850 CG2 :: 17.081 CD1 :: 15.131 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 :: 7.940 HA :: 3.297 HB :: 1.439 HG12 :: 1.741 HG13 :: 0.879 HG21 :: 0.051 HG22 :: 0.051 HG23 :: 0.051 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 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 :: 117.713 Ave N Shift Values>> N :: 121.46(4.28) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.42 R 0.07 C Shift Assignments>> C :: 177.409 CA :: 59.769 CB :: 33.040 CG :: 24.960 CD :: 29.950 CE :: 42.050 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 :: 8.307 HA :: 3.562 HB2 :: 1.684 HB3 :: 1.486 HG2 :: 1.355 HG3 :: 1.355 HD2 :: 1.772 HD3 :: 1.682 HE2 :: 3.129 HE3 :: 3.078 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 :: 118.483 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.21 F 0.1 Y 0.09 C 0.09 L 0.07 C Shift Assignments>> C :: 175.896 CA :: 53.869 CB :: 39.110 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 :: 8.208 HA :: 4.621 HB2 :: 2.882 HB3 :: 2.847 HD21 :: 7.643 HD22 :: 7.072 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 :: 113.477 ND2 :: 113.500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G29 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 :: 173.941 CA :: 45.410 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.507 HA2 :: 4.129 HA3 :: 3.626 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.963 Ave N Shift Values>> N :: 109.67(3.87) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 176.029 CA :: 62.949 CB :: 37.720 CG1 :: 27.740 CG2 :: 17.401 CD1 :: 13.751 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 :: 8.211 HA :: 3.453 HB :: 1.576 HG12 :: 1.289 HG13 :: 0.329 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 HD11 :: 0.726 HD12 :: 0.726 HD13 :: 0.726 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.982 Ave N Shift Values>> N :: 121.46(4.28) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I98 1.I98 C Shift Assignments>> C :: 174.575 CA :: 58.139 CB :: 64.179 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.150 HA :: 4.446 HB2 :: 3.884 HB3 :: 3.789 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 :: 118.312 Ave N Shift Values>> N :: 116.28(3.52) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.310 CA :: 57.999 CB :: 63.839 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.376 HA :: 4.418 HB2 :: 3.895 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 :: 117.267 Ave N Shift Values>> N :: 116.28(3.52) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 HN Overlap>> 1.G36 1.G36 C Shift Assignments>> C :: 174.985 CA :: 45.550 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.533 HA2 :: 3.992 HA3 :: 3.992 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.146 Ave N Shift Values>> N :: 109.67(3.87) 1.G34 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 :: 174.671 CA :: 45.420 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.251 HA2 :: 4.016 HA3 :: 4.016 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.795 Ave N Shift Values>> N :: 109.67(3.87) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.566 CA :: 58.769 CB :: 63.889 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.533 HA :: 4.444 HB2 :: 3.880 HB3 :: 3.880 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 :: 116.205 Ave N Shift Values>> N :: 116.28(3.52) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 HN Overlap>> 1.G33 1.G33 C Shift Assignments>> C :: 174.820 CA :: 45.600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.567 HA2 :: 4.016 HA3 :: 4.016 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.112 Ave N Shift Values>> N :: 109.67(3.87) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.T64 1.T64 C Shift Assignments>> C :: 174.388 CA :: 45.300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.229 HA2 :: 4.023 HA3 :: 4.023 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.225 Ave N Shift Values>> N :: 109.67(3.87) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.292 CA :: 58.639 CB :: 63.839 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.429 HB2 :: 3.879 HB3 :: 3.879 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.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.012 CA :: 60.589 CB :: 39.400 CG1 :: 27.220 CG2 :: 17.431 CD1 :: 13.321 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 :: 7.871 HA :: 4.173 HB :: 1.728 HG12 :: 1.351 HG13 :: 1.055 HG21 :: 0.768 HG22 :: 0.768 HG23 :: 0.768 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 :: 121.190 Ave N Shift Values>> N :: 121.46(4.28) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.19 N 0.16 F 0.09 Y 0.07 C 0.06 K 0.05 C Shift Assignments>> C :: 175.752 CA :: 54.059 CB :: 40.710 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 :: 8.332 HA :: 4.537 HB2 :: 2.796 HB3 :: 2.549 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 :: 124.248 Ave N Shift Values>> N :: 120.65(3.86) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.19 A 0.06 R 0.01 C Shift Assignments>> C :: 175.923 CA :: 53.829 CB :: 41.650 CG :: 26.490 CD1 :: 25.540 CD2 :: 23.031 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 :: 8.076 HA :: 4.458 HB2 :: 1.450 HB3 :: 1.102 HG :: 1.311 HD11 :: 0.545 HD12 :: 0.545 HD13 :: 0.545 HD21 :: 0.691 HD22 :: 0.691 HD23 :: 0.691 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 :: 126.105 Ave N Shift Values>> N :: 121.86(3.9) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.916 CA :: 60.969 CB :: 63.199 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.425 HA :: 4.177 HB2 :: 3.943 HB3 :: 3.897 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 :: 116.032 Ave N Shift Values>> N :: 116.28(3.52) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.23 R 0.21 G 0.11 C Shift Assignments>> C :: 175.299 CA :: 54.359 CB :: 34.150 CG :: 28.370 CD :: 43.320 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 :: 7.292 HA :: 4.881 HB2 :: 1.521 HB3 :: 1.283 HG2 :: 1.548 HG3 :: 1.195 HD2 :: 2.599 HD3 :: 2.462 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 :: 118.549 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.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.45 I 0.02 C Shift Assignments>> C :: 174.756 CA :: 59.489 CB :: 44.390 CG1 :: 24.940 CG2 :: 17.591 CD1 :: 15.251 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 :: 8.999 HA :: 4.955 HB :: 1.970 HG12 :: 1.405 HG13 :: 1.262 HG21 :: 1.056 HG22 :: 1.056 HG23 :: 1.056 HD11 :: 0.983 HD12 :: 0.983 HD13 :: 0.983 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 :: 112.813 Ave N Shift Values>> N :: 121.46(4.28) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 T 0.29 C Shift Assignments>> C :: 172.912 CA :: 61.509 CB :: 73.798 CG2 :: 22.561 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 :: 7.774 HA :: 5.659 HB :: 3.642 HG21 :: 1.442 HG22 :: 1.442 HG23 :: 1.442 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 :: 117.690 Ave N Shift Values>> N :: 115.42(4.75) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 C 0.35 Y 0.19 C Shift Assignments>> C :: 172.230 CA :: 55.039 CB :: 41.180 CD1 :: 132.130 CE1 :: 129.611 CZ :: 126.495 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 :: 8.735 HA :: 5.001 HB2 :: 3.060 HB3 :: 2.905 HD1 :: 6.217 HD2 :: 6.217 HE1 :: 6.330 HE2 :: 6.330 HZ :: 6.309 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 :: 121.218 Ave N Shift Values>> N :: 120.45(4.18) 1.L47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.71 C 0.25 R 0.01 C Shift Assignments>> C :: 174.687 CA :: 53.979 CB :: 41.060 CG :: 27.430 CD1 :: 25.810 CD2 :: 24.530 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 :: 7.262 HA :: 4.553 HB2 :: 0.727 HB3 :: 0.180(S) HG :: 1.482 HD11 :: 0.626 HD12 :: 0.626 HD13 :: 0.626 HD21 :: 0.500 HD22 :: 0.500 HD23 :: 0.500 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 :: 120.041 Ave N Shift Values>> N :: 121.86(3.9) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 172.864 CA :: 57.309 CB :: 39.530 CD1 :: 134.150 CE1 :: 118.600 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 :: 8.133 HA :: 4.593 HB2 :: 3.007 HB3 :: 3.007 HD1 :: 7.331 HD2 :: 7.331 HE1 :: 6.867 HE2 :: 6.867 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 :: 118.055 Ave N Shift Values>> N :: 120.52(4.2) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.35 R 0.1 C Shift Assignments>> C :: 175.598 CA :: 54.729 CB :: 33.210 CG :: 24.930 CD :: 30.010 CE :: 41.890 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 :: 8.911 HA :: 5.277 HB2 :: 2.005 HB3 :: 1.908 HG2 :: 1.561 HG3 :: 1.266 HD2 :: 1.745 HD3 :: 1.745 HE2 :: 2.921 HE3 :: 2.921 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 :: 130.090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.38 C 0.2 C Shift Assignments>> C :: 173.802 CA :: 59.039 CB :: 40.620 CD1 :: 131.166 CE1 :: 129.250 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 :: 8.285 HA :: 3.762 HB2 :: 3.046 HB3 :: 2.965 HD1 :: 7.007 HD2 :: 7.007 HE1 :: 7.294 HE2 :: 7.294 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 :: 125.094 Ave N Shift Values>> N :: 120.45(4.18) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 HN Overlap>> 1.D149 1.D149 2.V13 2.V13 C Shift Assignments>> C :: 174.479 CA :: 61.749 CB :: 38.270 CG1 :: 26.290 CG2 :: 16.911 CD1 :: 11.061 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 :: 8.313 HA :: 3.715 HB :: 1.531 HG12 :: 1.261 HG13 :: 1.107 HG21 :: 0.644 HG22 :: 0.644 HG23 :: 0.644 HD11 :: 0.516 HD12 :: 0.516 HD13 :: 0.516 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 :: 127.753 Ave N Shift Values>> N :: 121.46(4.28) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.656 CA :: 58.309 CB :: 64.649 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.526 HA :: 4.267 HB2 :: 3.728 HB3 :: 3.728 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 :: 109.156 Ave N Shift Values>> N :: 116.28(3.52) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 176.631 CA :: 60.959 CB :: 32.720 CG1 :: 21.191 CG2 :: 22.661 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 :: 8.762 HA :: 4.756 HB :: 1.978 HG11 :: 0.685 HG12 :: 0.685 HG13 :: 0.685 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 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 :: 121.370 Ave N Shift Values>> N :: 121.14(4.54) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.24 C 0.07 L 0.06 F 0.05 Y 0.05 C Shift Assignments>> C :: 175.139 CA :: 52.459 CB :: 39.470 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 :: 8.774 HA :: 4.752 HB2 :: 3.207 HB3 :: 2.455 HD21 :: 7.599 HD22 :: 7.061 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 :: 129.672 ND2 :: 113.400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.525 CA :: 64.619 CB :: 32.590 CG :: 27.280 CD :: 51.399 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 :: 4.382 HB2 :: 2.343 HB3 :: 1.992 HG2 :: 2.007 HG3 :: 2.007 HD2 :: 3.881 HD3 :: 3.741 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.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.996 CA :: 61.519 CB :: 69.259 CG2 :: 22.061 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 :: 8.644 HA :: 4.375 HB :: 3.927 HG21 :: 1.191 HG22 :: 1.191 HG23 :: 1.191 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 :: 116.393 Ave N Shift Values>> N :: 115.42(4.75) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.27 R 0.17 G 0.05 C Shift Assignments>> C :: 175.939 CA :: 55.499 CB :: 43.200 CG :: 27.770 CD1 :: 25.620 CD2 :: 23.890 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 :: 8.605 HA :: 4.115 HB2 :: 1.566 HB3 :: 1.065 HG :: 1.639 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 HD21 :: 0.674 HD22 :: 0.674 HD23 :: 0.674 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 :: 128.883 Ave N Shift Values>> N :: 121.86(3.9) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.28 C 0.15 A 0.12 R 0.01 C Shift Assignments>> C :: 175.949 CA :: 53.259 CB :: 44.370 CG :: 25.990 CD1 :: 22.651 CD2 :: 25.990 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 :: 8.966 HA :: 4.256 HB2 :: 1.668 HB3 :: 1.096 HG :: 0.831 HD11 :: 0.706 HD12 :: 0.706 HD13 :: 0.706 HD21 :: -0.058 HD22 :: -0.058 HD23 :: -0.058 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 :: 124.096 Ave N Shift Values>> N :: 121.86(3.9) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.3 R 0.12 A 0.01 C Shift Assignments>> C :: 176.349 CA :: 55.019 CB :: 41.910 CG :: 27.400 CD1 :: 23.900 CD2 :: 26.370 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 :: 8.536 HA :: 4.432 HB2 :: 1.796 HB3 :: 1.246 HG :: 1.058 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 HD21 :: 0.778 HD22 :: 0.778 HD23 :: 0.778 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 :: 129.966 Ave N Shift Values>> N :: 121.86(3.9) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.731 CA :: 60.689 CB :: 39.730 CG1 :: 27.090 CG2 :: 18.141 CD1 :: 14.941 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 :: 8.387 HA :: 4.335 HB :: 1.454 HG12 :: 0.727 HG13 :: 0.421 HG21 :: 0.377 HG22 :: 0.377 HG23 :: 0.377 HD11 :: 0.172 HD12 :: 0.172 HD13 :: 0.172 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 :: 115.899 Ave N Shift Values>> N :: 121.46(4.28) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.19 N 0.15 F 0.1 Y 0.08 C 0.06 K 0.05 C Shift Assignments>> C :: 175.289 CA :: 54.179 CB :: 40.730 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 :: 6.732 HA :: 4.536 HB2 :: 2.868 HB3 :: 2.548 HD21 :: 7.982 HD22 :: 6.987 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 :: 119.342 ND2 :: 116.900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.31 Q 0.13 K 0.1 M 0.08 I 0.03 C Shift Assignments>> C :: 176.370 CA :: 57.809 CB :: 30.100 CG :: 35.510 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 :: 8.272 HA :: 4.156 HB2 :: 2.159 HB3 :: 1.957 HG2 :: 2.303 HG3 :: 2.140 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 :: 124.443 Ave N Shift Values>> N :: 120.67(3.48) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.39 R 0.15 HN Overlap>> 1.D161 1.D161 C Shift Assignments>> C :: 178.465 CA :: 58.889 CB :: 32.840 CG :: 25.944 CD :: 29.090 CE :: 42.010 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 :: 8.635 HA :: 4.298 HB2 :: 2.005 HB3 :: 2.005 HG2 :: 1.464 HG3 :: 1.306 HD2 :: 1.542 HD3 :: 1.509 HE2 :: 2.921 HE3 :: 2.921 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 :: 121.342 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.G37 1.G37 C Shift Assignments>> C :: 175.710 CA :: 61.399 CB :: 69.629 CG2 :: 21.621 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 :: 8.282 HA :: 4.234 HB :: 4.386 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 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 :: 108.320 Ave N Shift Values>> N :: 115.42(4.75) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 Q 0.09 R 0.06 C Shift Assignments>> C :: 173.813 CA :: 56.749 CB :: 25.360 CG :: 33.960 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.527 HA :: 3.739 HB2 :: 2.250 HB3 :: 2.210 HG2 :: 2.250 HG3 :: 2.062 HE21 :: 7.575 HE22 :: 6.857 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 :: 114.860 NE2 :: 113.800 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.04 L 0.03 C 0.03 C Shift Assignments>> C :: 176.147 CA :: 52.579 CB :: 20.341 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.088 HA :: 4.148 HB1 :: 1.129 HB2 :: 1.129 HB3 :: 1.129 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.596 Ave N Shift Values>> N :: 123.23(3.54) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.37 K 0.09 G 0.02 HN Overlap>> 1.N120 1.L18 1.N120 1.L18 C Shift Assignments>> C :: 178.177 CA :: 53.789 CB :: 37.630 CG :: 25.440 CD :: 29.640 CE :: 42.250 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 :: 8.484 HA :: 5.557 HB2 :: 1.553 HB3 :: 1.511 HG2 :: 1.498 HG3 :: 1.070 HD2 :: 1.520 HD3 :: 1.486 HE2 :: 2.865 HE3 :: 2.865 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 :: 120.088 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 C 0.24 Q 0.17 K 0.11 H 0.06 R 0.05 P 0.05 N 0.01 C Shift Assignments>> C :: 174.958 CA :: 52.309 CB :: 33.660 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 :: 9.039 HA :: 5.104 HB2 :: 2.423 HB3 :: 1.315 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 :: 121.200 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.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.36 K 0.16 G 0.09 C Shift Assignments>> C :: 175.038 CA :: 55.159 CB :: 31.550 CG :: 28.730 CD :: 43.500 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 :: 8.875 HA :: 4.369 HB2 :: 1.196 HB3 :: 0.866 HG2 :: 1.605 HG3 :: 1.256 HD2 :: 2.898 HD3 :: 2.853 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 :: 122.000 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.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.39 C Shift Assignments>> C :: 175.560 CA :: 59.939 CB :: 39.830 CG1 :: 26.800 CG2 :: 19.761 CD1 :: 15.551 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.261 HA :: 4.589 HB :: 1.696 HG12 :: 1.670 HG13 :: 0.637 HG21 :: 1.008 HG22 :: 1.008 HG23 :: 1.008 HD11 :: 1.014 HD12 :: 1.014 HD13 :: 1.014 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 :: 120.810 Ave N Shift Values>> N :: 121.46(4.28) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.32 C 0.28 C Shift Assignments>> C :: 176.914 CA :: 57.949 CB :: 38.520 CD1 :: 133.452 CE1 :: 131.114 CZ :: 129.316 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 :: 9.868 HA :: 4.726 HB2 :: 3.163 HB3 :: 2.879 HD1 :: 7.329 HD2 :: 7.329 HE1 :: 7.396 HE2 :: 7.396 HZ :: 7.167 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 :: 127.858 Ave N Shift Values>> N :: 120.45(4.18) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.29 Q 0.13 K 0.1 M 0.1 I 0.02 C Shift Assignments>> C :: 174.798 CA :: 56.849 CB :: 30.130 CG :: 35.630 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 :: 9.752 HA :: 5.123 HB2 :: 2.354 HB3 :: 2.197 HG2 :: 2.442 HG3 :: 2.442 HE21 :: 7.307 HE22 :: 7.018 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 :: 130.188 NE2 :: 111.000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.923 CA :: 46.040 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.884 HA2 :: 4.483 HA3 :: 3.673 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.789 Ave N Shift Values>> N :: 109.67(3.87) 1.E74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 M 0.35 Q 0.04 E 0.03 C Shift Assignments>> C :: 175.422 CA :: 54.669 CB :: 33.940 CG :: 34.600 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 :: 8.796 HA :: 6.083(S) HB2 :: 2.170 HB3 :: 1.727 HG2 :: 2.102 HG3 :: 1.818 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.393 Ave N Shift Values>> N :: 120.67(3.48) 1.Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.12 R 0.06 F 0.06 Y 0.03 I 0.02 L 0.01 C Shift Assignments>> C :: 173.749 CA :: 61.659 CB :: 44.330 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 :: 9.088 HA :: 4.231 HB2 :: 3.856 HB3 :: 2.991 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 :: 118.644 Ave N Shift Values>> N :: 120.52(4.2) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.27 R 0.03 G 0.01 C Shift Assignments>> C :: 175.065 CA :: 54.919 CB :: 42.240 CG :: 27.160 CD1 :: 24.360 CD2 :: 24.730 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 :: 7.244 HA :: 4.765 HB2 :: 1.475 HB3 :: 1.286 HG :: 1.295 HD11 :: 0.631 HD12 :: 0.631 HD13 :: 0.631 HD21 :: 0.690 HD22 :: 0.690 HD23 :: 0.690 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 :: 125.397 Ave N Shift Values>> N :: 121.86(3.9) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 176.045 CA :: 57.509 CB :: 39.590 CD1 :: 132.624 CE1 :: 118.314 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 :: 9.110 HA :: 4.598 HB2 :: 2.970 HB3 :: 2.970 HD1 :: 6.697 HD2 :: 6.697 HE1 :: 6.973 HE2 :: 6.973 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 :: 130.085 Ave N Shift Values>> N :: 120.52(4.2) 1.G78 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 :: 174.431 CA :: 47.209 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.942 HA2 :: 4.055 HA3 :: 3.773 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.530 Ave N Shift Values>> N :: 109.67(3.87) 1.K79 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.800 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) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.36 R 0.13 G 0.01 HN Overlap>> 1.L144 1.L144 C Shift Assignments>> C :: 174.244 CA :: 55.259 CB :: 34.860 CG :: 24.940 CD :: 29.450 CE :: 42.190 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 :: 7.879 HA :: 4.414 HB2 :: 1.884 HB3 :: 1.829 HG2 :: 1.416 HG3 :: 1.303 HD2 :: 1.685 HD3 :: 1.685 HE2 :: 2.952 HE3 :: 2.952 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 :: 121.541 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>> K 0.46 C 0.4 R 0.12 C Shift Assignments>> C :: 174.926 CA :: 56.579 CB :: 31.650 CG :: 25.160 CD :: 28.820 CE :: 41.580 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 :: 8.633 HA :: 4.351 HB2 :: 1.630 HB3 :: 1.557 HG2 :: 1.144 HG3 :: 1.058 HD2 :: 1.522 HD3 :: 1.522 HE2 :: 2.830 HE3 :: 2.771 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 :: 126.095 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 I 0.37 A 0.01 C Shift Assignments>> C :: 174.761 CA :: 58.439 CB :: 37.190 CG1 :: 27.250 CG2 :: 17.371 CD1 :: 10.691 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 :: 8.895 HA :: 3.953 HB :: 1.692 HG12 :: 1.597 HG13 :: 0.963 HG21 :: -0.212(S) HG22 :: -0.212(S) HG23 :: -0.212(S) HD11 :: 0.514 HD12 :: 0.514 HD13 :: 0.514 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 :: 131.263 Ave N Shift Values>> N :: 121.46(4.28) 1.Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.22 K 0.17 M 0.14 E 0.13 C Shift Assignments>> C :: 174.122 CA :: 54.709 CB :: 30.010 CG :: 34.410 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 :: 8.080 HA :: 4.587 HB2 :: 2.020 HB3 :: 1.895 HG2 :: 2.327 HG3 :: 2.232 HE21 :: 7.566 HE22 :: 6.902 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 :: 123.331 NE2 :: 112.400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.24 K 0.11 F 0.09 D 0.07 Y 0.06 C 0.06 G 0.02 C Shift Assignments>> C :: 174.207 CA :: 56.919 CB :: 43.040 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 :: 8.534 HA :: 4.724 HB2 :: 2.793 HB3 :: 2.740 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 :: 121.551 Ave N Shift Values>> N :: 120.45(4.18) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.27 L 0.08 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 173.445 CA :: 52.649 CB :: 39.720 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 :: 8.768 HA :: 5.366 HB2 :: 3.153 HB3 :: 2.515 HD21 :: 7.188 HD22 :: 6.851 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 :: 124.581 ND2 :: 112.900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 175.704 CA :: 59.589 CB :: 38.580 CG1 :: 28.790 CG2 :: 18.251 CD1 :: 12.661 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 :: 8.991 HA :: 5.476 HB :: 2.493 HG12 :: 1.535 HG13 :: 1.268 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 HD11 :: 0.544 HD12 :: 0.544 HD13 :: 0.544 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 :: 127.136 Ave N Shift Values>> N :: 121.46(4.28) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.36 I 0.07 A 0.01 C Shift Assignments>> C :: 173.845 CA :: 59.139 CB :: 44.060 CG1 :: 25.590 CG2 :: 18.211 CD1 :: 14.351 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.024 HA :: 5.215 HB :: 1.681 HG12 :: 1.370 HG13 :: 0.930 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 HD11 :: 0.436 HD12 :: 0.436 HD13 :: 0.436 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 :: 118.331 Ave N Shift Values>> N :: 121.46(4.28) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 A 0.29 C 0.19 K 0.03 P 0.01 C Shift Assignments>> C :: 179.189 CA :: 50.299 CB :: 23.210 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.924 HA :: 4.878 HB1 :: 1.540 HB2 :: 1.540 HB3 :: 1.540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.914 Ave N Shift Values>> N :: 123.23(3.54) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.34 R 0.17 C Shift Assignments>> C :: 176.626 CA :: 59.169 CB :: 34.380 CG :: 25.440 CD :: 30.110 CE :: 42.170 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 :: 8.476 HA :: 3.872 HB2 :: 1.634 HB3 :: 1.586 HG2 :: 1.570 HG3 :: 1.103 HD2 :: 1.582 HD3 :: 1.511 HE2 :: 2.886 HE3 :: 2.625 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 :: 117.552 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.29 L 0.15 C 0.06 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> C :: 174.900 CA :: 50.809 CB :: 41.140 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 :: 7.209 HA :: 4.913 HB2 :: 3.292 HB3 :: 2.894 HD21 :: 7.702 HD22 :: 7.196 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 :: 109.744 ND2 :: 114.400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 A 0.01 C Shift Assignments>> C :: 178.608 CA :: 57.339 CB :: 40.640 CG :: 27.280 CD1 :: 25.380 CD2 :: 22.641 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 :: 8.955 HA :: 4.158 HB2 :: 1.842 HB3 :: 1.586 HG :: 1.762 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 118.122 Ave N Shift Values>> N :: 121.86(3.9) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.36 E 0.2 K 0.03 C Shift Assignments>> C :: 179.536 CA :: 60.359 CB :: 28.650 CG :: 36.780 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 :: 8.359 HA :: 4.057 HB2 :: 2.106 HB3 :: 2.001 HG2 :: 2.292 HG3 :: 2.221 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 :: 123.082 Ave N Shift Values>> N :: 120.67(3.48) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 178.022 CA :: 64.709 CB :: 38.680 CG1 :: 29.340 CG2 :: 17.001 CD1 :: 14.301 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 :: 8.475 HA :: 3.722 HB :: 1.548 HG12 :: 1.919 HG13 :: 0.984 HG21 :: 0.791 HG22 :: 0.791 HG23 :: 0.791 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 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 :: 120.981 Ave N Shift Values>> N :: 121.46(4.28) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.23 V 0.21 P 0.08 C 0.07 S 0.04 F 0.03 Y 0.03 C Shift Assignments>> C :: 176.978 CA :: 61.869 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 :: 8.117 HA :: 3.712 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 :: 120.767 Ave N Shift Values>> N :: 120.67(3.48) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.35 G 0.1 K 0.04 C Shift Assignments>> C :: 179.168 CA :: 60.069 CB :: 29.980 CG :: 28.170 CD :: 43.500 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 :: 7.996 HA :: 3.955 HB2 :: 2.012 HB3 :: 1.954 HG2 :: 1.915 HG3 :: 1.586 HD2 :: 3.243 HD3 :: 3.188 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 :: 117.277 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.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 I 0.17 K 0.08 Q 0.04 C Shift Assignments>> C :: 179.216 CA :: 59.189 CB :: 29.060 CG :: 36.220 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 :: 7.404 HA :: 3.848 HB2 :: 2.142 HB3 :: 1.848 HG2 :: 2.285 HG3 :: 2.042 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 :: 119.670 Ave N Shift Values>> N :: 120.67(3.48) 1.L97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.72 L 0.23 A 0.04 HN Overlap>> 2.L10 2.L10 C Shift Assignments>> C :: 178.049 CA :: 57.789 CB :: 39.990 CG :: 25.860 CD1 :: 26.420 CD2 :: 21.101 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 :: 8.240 HA :: 3.441 HB2 :: 1.612 HB3 :: 0.282(S) HG :: 1.685 HD11 :: 0.500 HD12 :: 0.500 HD13 :: 0.500 HD21 :: 0.273 HD22 :: 0.273 HD23 :: 0.273 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 :: 119.896 Ave N Shift Values>> N :: 121.86(3.9) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 HN Overlap>> 1.S31 1.S31 C Shift Assignments>> C :: 178.417 CA :: 64.619 CB :: 38.200 CG1 :: 29.480 CG2 :: 16.961 CD1 :: 13.851 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 :: 8.252 HA :: 3.775 HB :: 1.981 HG12 :: 2.149 HG13 :: 1.279 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 HD11 :: 0.977 HD12 :: 0.977 HD13 :: 0.977 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 :: 118.312 Ave N Shift Values>> N :: 121.46(4.28) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.26 R 0.07 E 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 177.026 CA :: 57.339 CB :: 28.510 CG :: 33.810 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.002 HA :: 3.955 HB2 :: 2.045 HB3 :: 2.003 HG2 :: 2.409 HG3 :: 2.360 HE21 :: 7.425 HE22 :: 6.857 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.158 NE2 :: 112.200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.37 C 0.21 HN Overlap>> 1.F101 1.F101 C Shift Assignments>> C :: 178.225 CA :: 59.959 CB :: 39.880 CD1 :: 130.475 CE1 :: 131.200 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 :: 7.717 HA :: 4.254 HB2 :: 2.380 HB3 :: 2.243 HD1 :: 6.542 HD2 :: 6.542 HE1 :: 7.015 HE2 :: 7.015 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 :: 119.314 Ave N Shift Values>> N :: 120.45(4.18) 1.F101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 F 0.13 Y 0.01 HN Overlap>> 1.F100 1.F100 C Shift Assignments>> C :: 175.742 CA :: 55.039 CB :: 35.110 CD1 :: 131.114 CE1 :: 129.215 CZ :: 127.608 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 :: 7.647 HA :: 4.609 HB2 :: 2.221 HB3 :: 1.392(S) HD1 :: 6.391 HD2 :: 6.391 HE1 :: 6.003(S) HE2 :: 6.003(S) HZ :: 6.330 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 :: 119.328 Ave N Shift Values>> N :: 120.45(4.18) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.42 R 0.07 C Shift Assignments>> C :: 176.717 CA :: 56.659 CB :: 34.130 CG :: 24.580 CD :: 29.300 CE :: 42.170 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 :: 7.667 HA :: 4.382 HB2 :: 1.906 HB3 :: 1.857 HG2 :: 1.465 HG3 :: 1.418 HD2 :: 1.732 HD3 :: 1.732 HE2 :: 3.080 HE3 :: 3.080 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 :: 120.529 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.33 R 0.07 G 0.01 HN Overlap>> 1.D161 1.D161 C Shift Assignments>> CA :: 53.239 CB :: 34.770 CG :: 24.720 CD :: 29.580 CE :: 41.990 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 :: 8.495 HA :: 5.024 HB2 :: 1.967 HB3 :: 1.800 HG2 :: 1.464 HG3 :: 1.464 HD2 :: 1.754 HD3 :: 1.754 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 :: 121.375 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.658 CA :: 63.979 CB :: 31.830 CG :: 27.770 CD :: 51.179 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 :: 4.247 HB2 :: 2.063 HB3 :: 1.533 HG2 :: 2.087 HG3 :: 1.963 HD2 :: 3.958 HD3 :: 3.761 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.Y105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 Y 0.27 H 0.06 C Shift Assignments>> C :: 174.740 CA :: 60.089 CB :: 35.000 CD1 :: 132.624 CE1 :: 118.096 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 :: 9.206 HA :: 3.955 HB2 :: 3.395 HB3 :: 3.298 HD1 :: 6.998 HD2 :: 6.998 HE1 :: 6.816 HE2 :: 6.816 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 :: 116.028 Ave N Shift Values>> N :: 120.52(4.2) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.24 K 0.19 M 0.15 E 0.08 C Shift Assignments>> C :: 174.623 CA :: 56.209 CB :: 30.160 CG :: 33.870 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.800 HA :: 4.489 HB2 :: 2.261 HB3 :: 2.223 HG2 :: 2.351 HG3 :: 2.351 HE21 :: 7.654 HE22 :: 7.073 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.136 NE2 :: 113.200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 E 0.17 R 0.13 H 0.13 Q 0.12 K 0.11 I 0.05 M 0.04 V 0.02 C Shift Assignments>> C :: 173.253 CA :: 58.769 CB :: 29.860 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.420 HA :: 5.573 HB2 :: 3.020 HB3 :: 2.747 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 :: 120.601 Ave N Shift Values>> N :: 120.17(4.64) 1.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 Y 0.33 C 0.21 C Shift Assignments>> C :: 174.202 CA :: 57.059 CB :: 43.990 CD1 :: 133.452 CE1 :: 118.704 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 :: 9.676 HA :: 5.030 HB2 :: 3.027 HB3 :: 2.837 HD1 :: 7.138 HD2 :: 7.138 HE1 :: 6.748 HE2 :: 6.748 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 :: 121.337 Ave N Shift Values>> N :: 120.52(4.2) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 174.148 CA :: 61.289 CB :: 39.330 CG1 :: 28.430 CG2 :: 19.111 CD1 :: 15.841 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 :: 4.183 HB :: 1.727 HG12 :: 1.317 HG13 :: 0.633 HG21 :: 0.540 HG22 :: 0.540 HG23 :: 0.540 HD11 :: 0.701 HD12 :: 0.701 HD13 :: 0.701 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 :: 119.523 Ave N Shift Values>> N :: 121.46(4.28) 1.M110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.7 C 0.14 M 0.14 C Shift Assignments>> C :: 173.045 CA :: 52.179 CB :: 30.120 CG :: 32.860 CE :: 18.661 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 :: 8.381 HA :: 4.604 HB2 :: 0.599(S) HB3 :: 0.348(S) HG2 :: 1.807 HG3 :: 1.486 HE1 :: 1.315 HE2 :: 1.315 HE3 :: 1.315 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 :: 125.559 Ave N Shift Values>> N :: 120.09(3.57) 1.H111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 H 0.27 Y 0.03 HN Overlap>> 1.Y146 1.Y146 C Shift Assignments>> C :: 175.033 CA :: 53.059 CB :: 34.470 CD2 :: 117.272 CE1 :: 138.680 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 :: 8.895 HA :: 5.772 HB2 :: 3.177 HB3 :: 2.508 HD2 :: 6.594 HE1 :: 7.357 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 :: 122.472 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.37 C 0.21 E 0.13 M 0.09 Y 0.07 F 0.04 D 0.02 K 0.01 C Shift Assignments>> C :: 174.734 CA :: 53.679 CB :: 36.770 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 :: 8.269 HA :: 3.777 HB2 :: 3.464 HB3 :: 0.972(S) HD21 :: 6.943 HD22 :: 6.810 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 :: 129.325 ND2 :: 109.600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.289 CA :: 62.059 CB :: 34.440 CG1 :: 22.821 CG2 :: 21.981 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 :: 9.579 HA :: 4.234 HB :: 2.085 HG11 :: 1.105 HG12 :: 1.105 HG13 :: 1.105 HG21 :: 0.613 HG22 :: 0.613 HG23 :: 0.613 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 :: 125.084 Ave N Shift Values>> N :: 121.14(4.54) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.2 E 0.08 Q 0.01 C Shift Assignments>> C :: 174.628 CA :: 55.739 CB :: 34.180 CG :: 35.680 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 :: 8.001 HA :: 5.023 HB2 :: 2.213 HB3 :: 2.074 HG2 :: 2.320 HG3 :: 2.206 HE21 :: 7.423 HE22 :: 6.564 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 :: 122.135 NE2 :: 110.100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 173.727 CA :: 62.309 CB :: 33.130 CG1 :: 21.871 CG2 :: 21.971 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 :: 9.000 HA :: 4.452 HB :: 2.003 HG11 :: 0.688 HG12 :: 0.688 HG13 :: 0.688 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 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 :: 122.828 Ave N Shift Values>> N :: 121.14(4.54) 1.F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 F 0.12 C 0.08 Y 0.04 C Shift Assignments>> C :: 174.159 CA :: 56.409 CB :: 45.030 CD1 :: 130.426 CE1 :: 132.050 CZ :: 129.816 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 :: 9.239 HA :: 5.127 HB2 :: 2.852 HB3 :: 2.795 HD1 :: 6.896 HD2 :: 6.896 HE1 :: 7.271 HE2 :: 7.271 HZ :: 7.103 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 :: 124.961 Ave N Shift Values>> N :: 120.45(4.18) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 C 0.3 Q 0.09 C Shift Assignments>> C :: 175.198 CA :: 53.229 CB :: 32.570 CG :: 33.040 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 :: 9.361 HA :: 5.454 HB2 :: 1.990 HB3 :: 1.822 HG2 :: 2.283 HG3 :: 2.118 HE21 :: 7.307 HE22 :: 6.843 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.904 NE2 :: 111.000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.3 A 0.2 C Shift Assignments>> C :: 176.051 CA :: 55.009 CB :: 33.670 CG :: 32.330 CE :: 17.287 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 :: 9.044 HA :: 4.924 HB2 :: 2.270 HB3 :: 1.996 HG2 :: 2.665 HG3 :: 2.665 HE1 :: 1.970 HE2 :: 1.970 HE3 :: 1.970 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.496 Ave N Shift Values>> N :: 120.09(3.57) 1.L119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.28 R 0.06 G 0.03 C Shift Assignments>> C :: 176.701 CA :: 55.439 CB :: 42.750 CG :: 27.340 CD1 :: 24.960 CD2 :: 23.920 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 :: 8.726 HA :: 4.331 HB2 :: 1.588 HB3 :: 1.502 HG :: 1.513 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 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 :: 127.031 Ave N Shift Values>> N :: 121.86(3.9) 1.N120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.19 C 0.09 F 0.08 Y 0.08 L 0.05 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> C :: 175.406 CA :: 53.379 CB :: 38.940 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 :: 8.552 HA :: 4.664 HB2 :: 2.837 HB3 :: 2.726 HD21 :: 7.649 HD22 :: 6.970 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 :: 120.149 ND2 :: 113.400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.41 R 0.11 C Shift Assignments>> C :: 176.370 CA :: 56.639 CB :: 32.870 CG :: 24.750 CD :: 29.120 CE :: 42.050 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 :: 8.421 HA :: 4.242 HB2 :: 1.826 HB3 :: 1.729 HG2 :: 1.405 HG3 :: 1.365 HD2 :: 1.652 HD3 :: 1.652 HE2 :: 2.967 HE3 :: 2.967 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 :: 122.491 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.18 C 0.09 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 175.283 CA :: 53.299 CB :: 38.880 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 :: 8.423 HA :: 4.668 HB2 :: 2.791 HB3 :: 2.791 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 :: 119.043 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.41 R 0.11 HN Overlap>> 1.V15 1.V15 C Shift Assignments>> C :: 176.253 CA :: 56.769 CB :: 32.770 CG :: 24.750 CD :: 29.120 CE :: 42.050 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 :: 8.181 HA :: 4.247 HB2 :: 1.826 HB3 :: 1.729 HG2 :: 1.405 HG3 :: 1.365 HD2 :: 1.652 HD3 :: 1.652 HE2 :: 2.967 HE3 :: 2.967 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 :: 121.494 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.17 C 0.1 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 174.825 CA :: 53.599 CB :: 38.800 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>> HA :: 4.668 HB2 :: 2.806 HB3 :: 2.740 HD21 :: 7.567 HD22 :: 6.907 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 :: 112.900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.25 F 0.08 L 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 174.953 CA :: 53.409 CB :: 39.430 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 :: 8.367 HA :: 4.703 HB2 :: 2.806 HB3 :: 2.731 HD21 :: 7.638 HD22 :: 6.970 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 :: 118.830 ND2 :: 113.100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 176.115 CA :: 62.799 CB :: 32.680 CG1 :: 21.321 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 :: 7.984 HA :: 4.086 HB :: 2.067 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 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 :: 119.946 Ave N Shift Values>> N :: 121.14(4.54) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.3 C Shift Assignments>> C :: 175.933 CA :: 62.519 CB :: 32.890 CG1 :: 21.321 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 :: 8.097 HA :: 4.053 HB :: 2.012 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 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 :: 123.579 Ave N Shift Values>> N :: 121.14(4.54) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 M 0.12 Q 0.05 K 0.05 I 0.02 HN Overlap>> 1.V154 1.V154 C Shift Assignments>> C :: 175.907 CA :: 56.749 CB :: 30.510 CG :: 36.210 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 :: 8.315 HA :: 4.174 HB2 :: 1.842 HB3 :: 1.800 HG2 :: 2.113 HG3 :: 2.016 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 :: 123.930 Ave N Shift Values>> N :: 120.67(3.48) 1.F130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.39 C 0.2 C Shift Assignments>> C :: 175.576 CA :: 57.629 CB :: 39.500 CD1 :: 131.754 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 :: 8.144 HA :: 4.604 HB2 :: 3.139 HB3 :: 3.004 HD1 :: 7.212 HD2 :: 7.212 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 :: 120.126 Ave N Shift Values>> N :: 120.45(4.18) 1.M131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.32 Q 0.17 E 0.02 K 0.01 HN Overlap>> 2.C8 2.C8 C Shift Assignments>> C :: 175.582 CA :: 55.479 CB :: 33.340 CG :: 32.180 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 :: 8.224 HA :: 4.417 HB2 :: 2.027 HB3 :: 1.937 HG2 :: 2.515 HG3 :: 2.448 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 :: 121.760 Ave N Shift Values>> N :: 120.09(3.57) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.08 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.V15 1.D6 1.V15 1.D6 2.D2 2.D2 C Shift Assignments>> C :: 176.290 CA :: 54.399 CB :: 41.290 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 :: 4.560 HB2 :: 2.733 HB3 :: 2.605 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 :: 121.579 Ave N Shift Values>> N :: 120.65(3.86) 1.S133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.953 CA :: 58.809 CB :: 63.739 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.166 HA :: 4.373 HB2 :: 3.920 HB3 :: 3.863 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 :: 116.056 Ave N Shift Values>> N :: 116.28(3.52) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.07 K 0.06 I 0.04 Q 0.04 C Shift Assignments>> C :: 176.456 CA :: 57.229 CB :: 30.100 CG :: 36.390 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 :: 8.530 HA :: 4.223 HB2 :: 2.038 HB3 :: 1.935 HG2 :: 2.241 HG3 :: 2.201 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 :: 122.453 Ave N Shift Values>> N :: 120.67(3.48) 1.D135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.11 F 0.09 N 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.Q137 1.Q137 C Shift Assignments>> C :: 176.440 CA :: 54.429 CB :: 41.200 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 :: 8.222 HA :: 4.556 HB2 :: 2.711 HB3 :: 2.572 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 :: 120.221 Ave N Shift Values>> N :: 120.65(3.86) 1.L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.3 R 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 177.809 CA :: 55.769 CB :: 42.180 CG :: 27.070 CD1 :: 25.150 CD2 :: 23.450 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 :: 8.087 HA :: 4.265 HB2 :: 1.647 HB3 :: 1.584 HG :: 1.592 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 122.320 Ave N Shift Values>> N :: 121.86(3.9) 1.Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.09 M 0.04 R 0.03 HN Overlap>> 1.D135 1.L18 1.D135 1.L18 C Shift Assignments>> C :: 176.274 CA :: 56.289 CB :: 29.210 CG :: 33.990 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 :: 8.326 HA :: 4.284 HB2 :: 2.124 HB3 :: 2.012 HG2 :: 2.365 HG3 :: 2.287 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.198 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.708 CA :: 58.619 CB :: 63.869 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.188 HA :: 4.437 HB2 :: 3.881 HB3 :: 3.881 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 :: 116.259 Ave N Shift Values>> N :: 116.28(3.52) 1.S139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N8 1.N8 C Shift Assignments>> C :: 174.766 CA :: 58.469 CB :: 63.999 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.268 HA :: 4.496 HB2 :: 3.876 HB3 :: 3.876 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 :: 117.839 Ave N Shift Values>> N :: 116.28(3.52) 1.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 176.061 CA :: 60.819 CB :: 32.770 CG1 :: 21.321 CG2 :: 20.481 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 :: 8.084 HA :: 4.139 HB :: 2.095 HG11 :: 0.909 HG12 :: 0.909 HG13 :: 0.909 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 120.895 Ave N Shift Values>> N :: 121.14(4.54) 1.D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.14 F 0.09 N 0.07 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.253 CA :: 54.519 CB :: 41.410 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 :: 8.321 HA :: 4.633 HB2 :: 2.731 HB3 :: 2.603 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 :: 123.213 Ave N Shift Values>> N :: 120.65(3.86) 1.S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.994 CA :: 58.189 CB :: 64.199 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.109 HA :: 4.529 HB2 :: 3.799 HB3 :: 3.799 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 :: 115.956 Ave N Shift Values>> N :: 116.28(3.52) 1.Q143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.23 M 0.19 K 0.17 E 0.07 C Shift Assignments>> C :: 174.218 CA :: 55.409 CB :: 30.310 CG :: 33.870 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>> HA :: 4.311 HB2 :: 2.014 HB3 :: 2.014 HG2 :: 2.277 HG3 :: 2.277 HE21 :: 7.525 HE22 :: 6.843 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>> NE2 :: 113.000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.16 G 0.16 R 0.06 A 0.04 HN Overlap>> 1.K80 1.K80 C Shift Assignments>> C :: 176.498 CA :: 53.679 CB :: 43.790 CG :: 26.920 CD1 :: 25.910 CD2 :: 23.210 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 :: 4.911 HB2 :: 1.546 HB3 :: 0.895 HG :: 1.515 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 HD21 :: 0.624 HD22 :: 0.624 HD23 :: 0.624 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 :: 121.541 Ave N Shift Values>> N :: 121.86(3.9) 1.Y145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.25 G 0.05 C Shift Assignments>> C :: 172.832 CA :: 57.709 CB :: 42.700 CD1 :: 132.624 CE1 :: 117.772 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 :: 8.963 HA :: 4.942 HB2 :: 2.720 HB3 :: 2.190 HD1 :: 6.741 HD2 :: 6.741 HE1 :: 6.553 HE2 :: 6.553 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 :: 120.112 Ave N Shift Values>> N :: 120.52(4.2) 1.Y146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 HN Overlap>> 1.H111 1.H111 C Shift Assignments>> C :: 174.026 CA :: 57.319 CB :: 39.630 CD1 :: 133.000 CE1 :: 118.000 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 :: 8.883 HA :: 5.160 HB2 :: 2.969 HB3 :: 2.923 HD1 :: 7.036 HD2 :: 7.036 HE1 :: 6.783 HE2 :: 6.783 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 :: 122.370 Ave N Shift Values>> N :: 120.52(4.2) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 C 0.39 L 0.2 C Shift Assignments>> C :: 175.683 CA :: 54.169 CB :: 46.630 CG :: 27.520 CD1 :: 25.450 CD2 :: 26.000 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 :: 9.228 HA :: 5.013 HB2 :: 1.926 HB3 :: 1.032 HG :: 1.061 HD11 :: 0.328 HD12 :: 0.328 HD13 :: 0.328 HD21 :: 0.333 HD22 :: 0.333 HD23 :: 0.333 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 :: 125.839 Ave N Shift Values>> N :: 121.86(3.9) 1.I148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.36 A 0.02 C Shift Assignments>> C :: 174.889 CA :: 58.179 CB :: 36.800 CG1 :: 26.980 CG2 :: 17.421 CD1 :: 11.081 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 :: 8.698 HA :: 4.494 HB :: 1.910 HG12 :: 1.511 HG13 :: 1.100 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 HD11 :: 0.569 HD12 :: 0.569 HD13 :: 0.569 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 :: 128.138 Ave N Shift Values>> N :: 121.46(4.28) 1.D149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 G 0.22 D 0.21 R 0.14 C 0.05 N 0.03 K 0.02 F 0.02 Y 0.01 HN Overlap>> 1.I51 1.I51 C Shift Assignments>> C :: 177.191 CA :: 51.369 CB :: 43.160 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 :: 8.349 HA :: 4.759 HB2 :: 3.115 HB3 :: 2.330 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 :: 127.758 Ave N Shift Values>> N :: 120.65(3.86) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.28 E 0.27 K 0.05 Q 0.01 C Shift Assignments>> C :: 177.489 CA :: 59.669 CB :: 28.590 CG :: 36.490 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 :: 10.089 HA :: 4.030 HB2 :: 2.085 HB3 :: 2.007 HG2 :: 2.453 HG3 :: 2.281 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 :: 117.804 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 :: 174.335 CA :: 58.529 CB :: 63.439 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.131 HA :: 4.611 HB2 :: 3.854 HB3 :: 3.773 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.833 Ave N Shift Values>> N :: 116.28(3.52) 1.S152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.640 CA :: 58.179 CB :: 63.949 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.631 HA :: 5.121 HB2 :: 3.805 HB3 :: 3.805 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 :: 119.718 Ave N Shift Values>> N :: 116.28(3.52) 1.H153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 H 0.27 Y 0.05 C Shift Assignments>> C :: 172.896 CA :: 55.779 CB :: 34.700 CD2 :: 119.100 CE1 :: 138.200 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 :: 9.151 HA :: 4.745 HB2 :: 2.888 HB3 :: 2.804 HD2 :: 6.775 HE1 :: 7.743 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 :: 121.641 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.46 HN Overlap>> 1.E129 1.L7 1.E129 1.L7 C Shift Assignments>> C :: 174.814 CA :: 61.259 CB :: 31.910 CG1 :: 21.051 CG2 :: 19.421 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 :: 8.365 HA :: 4.472 HB :: 1.416 HG11 :: 0.235 HG12 :: 0.235 HG13 :: 0.235 HG21 :: 0.450 HG22 :: 0.450 HG23 :: 0.450 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 :: 124.009 Ave N Shift Values>> N :: 121.14(4.54) 1.L155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.2 C 0.18 R 0.09 C Shift Assignments>> C :: 175.933 CA :: 53.769 CB :: 43.960 CG :: 27.490 CD1 :: 25.790 CD2 :: 24.670 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 :: 8.956 HA :: 4.823 HB2 :: 1.765 HB3 :: 1.482 HG :: 1.473 HD11 :: 0.626 HD12 :: 0.626 HD13 :: 0.626 HD21 :: 0.767 HD22 :: 0.767 HD23 :: 0.767 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 :: 126.642 Ave N Shift Values>> N :: 121.86(3.9) 1.E156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.3 M 0.21 C Shift Assignments>> C :: 175.800 CA :: 55.669 CB :: 31.940 CG :: 37.050 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 :: 8.785 HA :: 4.377 HB2 :: 2.107 HB3 :: 2.016 HG2 :: 2.217 HG3 :: 2.217 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 :: 122.700 Ave N Shift Values>> N :: 120.67(3.48) 1.D157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.26 K 0.15 R 0.08 F 0.07 Y 0.04 N 0.04 C 0.04 C Shift Assignments>> C :: 176.525 CA :: 54.219 CB :: 42.010 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 :: 8.558 HA :: 4.785 HB2 :: 2.641 HB3 :: 2.309 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 :: 123.379 Ave N Shift Values>> N :: 120.65(3.86) 1.D158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 K 0.2 D 0.16 F 0.16 Y 0.12 C 0.07 R 0.03 N 0.02 I 0.01 C Shift Assignments>> C :: 177.532 CA :: 56.439 CB :: 41.380 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 :: 8.763 HA :: 4.461 HB2 :: 2.753 HB3 :: 2.640 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 :: 123.203 Ave N Shift Values>> N :: 120.65(3.86) 1.S159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.049 CA :: 59.659 CB :: 63.999 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.277 HA :: 4.342 HB2 :: 3.993 HB3 :: 3.914 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 :: 112.660 Ave N Shift Values>> N :: 116.28(3.52) 1.M160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.46 A 0.03 C Shift Assignments>> C :: 176.413 CA :: 57.249 CB :: 31.180 CG :: 32.600 CE :: 17.021 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.926 HA :: 4.269 HB2 :: 2.245 HB3 :: 2.071 HG2 :: 2.585 HG3 :: 2.464 HE1 :: 2.056 HE2 :: 2.056 HE3 :: 2.056 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.058 Ave N Shift Values>> N :: 120.09(3.57) 1.D161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 D 0.19 L 0.17 Y 0.16 K 0.09 C 0.08 N 0.04 I 0.02 HN Overlap>> 1.K103 1.K63 1.K103 1.K63 C Shift Assignments>> C :: 177.298 CA :: 56.329 CB :: 40.720 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 :: 8.585 HA :: 4.425 HB2 :: 2.790 HB3 :: 2.526 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 :: 121.399 Ave N Shift Values>> N :: 120.65(3.86) 1.F162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.36 C 0.24 C Shift Assignments>> C :: 178.235 CA :: 59.419 CB :: 39.680 CD1 :: 130.968 CE1 :: 129.200 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 :: 9.527 HA :: 4.562 HB2 :: 3.093 HB3 :: 2.811 HD1 :: 7.038 HD2 :: 7.038 HE1 :: 7.045 HE2 :: 7.045 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.346 Ave N Shift Values>> N :: 120.45(4.18) 1.I163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 178.502 CA :: 66.719 CB :: 37.460 CG1 :: 30.490 CG2 :: 17.121 CD1 :: 13.531 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.046 HA :: 3.197 HB :: 1.762 HG12 :: 1.773 HG13 :: 0.873 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 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 :: 121.969 Ave N Shift Values>> N :: 121.46(4.28) 1.S164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.392 CA :: 61.769 CB :: 62.499 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.337 HA :: 4.161 HB2 :: 3.945 HB3 :: 3.872 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 :: 115.424 Ave N Shift Values>> N :: 116.28(3.52) 1.T165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.790 CA :: 66.269 CB :: 68.499 CG2 :: 21.131 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 :: 7.482 HA :: 3.863 HB :: 4.225 HG21 :: 1.102 HG22 :: 1.102 HG23 :: 1.102 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 :: 118.426 Ave N Shift Values>> N :: 115.42(4.75) 1.L166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.47 A 0.01 HN Overlap>> 1.S172 1.S172 C Shift Assignments>> C :: 178.310 CA :: 57.669 CB :: 39.900 CG :: 25.730 CD1 :: 25.360 CD2 :: 22.501 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 :: 7.700 HA :: 3.689 HB2 :: 1.341 HB3 :: 0.363 HG :: 1.005 HD11 :: 0.079 HD12 :: 0.079 HD13 :: 0.079 HD21 :: 0.299 HD22 :: 0.299 HD23 :: 0.299 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 :: 120.957 Ave N Shift Values>> N :: 121.86(3.9) 1.T167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.482 CA :: 65.109 CB :: 68.839 CG2 :: 21.731 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 :: 8.127 HA :: 3.982 HB :: 4.254 HG21 :: 1.251 HG22 :: 1.251 HG23 :: 1.251 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.188 Ave N Shift Values>> N :: 115.42(4.75) 1.R168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.43 G 0.06 K 0.05 C Shift Assignments>> C :: 178.358 CA :: 58.229 CB :: 30.200 CG :: 27.720 CD :: 43.420 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 :: 7.570 HA :: 4.212 HB2 :: 1.882 HB3 :: 1.882 HG2 :: 1.743 HG3 :: 1.628 HD2 :: 3.175 HD3 :: 3.175 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.686 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.L169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.32 R 0.07 G 0.01 A 0.01 C Shift Assignments>> C :: 178.289 CA :: 56.649 CB :: 42.480 CG :: 26.500 CD1 :: 25.750 CD2 :: 22.821 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 :: 7.750 HA :: 4.209 HB2 :: 2.031 HB3 :: 1.597 HG :: 1.919 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 0.888 HD22 :: 0.888 HD23 :: 0.888 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 :: 119.623 Ave N Shift Values>> N :: 121.86(3.9) 1.S170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.218 CA :: 58.109 CB :: 63.199 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.860 HA :: 4.172 HB2 :: 3.302 HB3 :: 3.080 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 :: 111.739 Ave N Shift Values>> N :: 116.28(3.52) 1.D171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 K 0.13 F 0.1 Y 0.07 N 0.07 C 0.05 R 0.02 C Shift Assignments>> C :: 175.422 CA :: 54.709 CB :: 41.280 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 :: 7.819 HA :: 4.637 HB2 :: 2.758 HB3 :: 2.665 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 :: 123.512 Ave N Shift Values>> N :: 120.65(3.86) 1.S172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.L166 1.L166 C Shift Assignments>> C :: 178.720 CA :: 60.129 CB :: 64.989 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.742 HA :: 4.265 HB2 :: 3.861 HB3 :: 3.861 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.886 Ave N Shift Values>> N :: 116.28(3.52) 2.Q1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.331 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) 2.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.13 K 0.09 F 0.07 C 0.05 Y 0.05 R 0.01 HN Overlap>> 1.D6 1.D132 1.D6 1.D132 C Shift Assignments>> C :: 177.857 CA :: 53.429 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 :: 8.423 HA :: 4.761 HB2 :: 2.791 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 :: 121.603 Ave N Shift Values>> N :: 120.65(3.86) 2.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.17 F 0.17 Y 0.13 D 0.09 C 0.07 R 0.06 I 0.02 C Shift Assignments>> C :: 177.553 CA :: 57.289 CB :: 41.680 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 :: 8.712 HA :: 4.311 HB2 :: 2.389 HB3 :: 2.091 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 :: 125.208 Ave N Shift Values>> N :: 120.65(3.86) 2.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 C 0.29 Y 0.27 C Shift Assignments>> C :: 175.411 CA :: 57.999 CB :: 37.970 CD1 :: 131.936 CE1 :: 130.585 CZ :: 128.923 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 :: 8.646 HA :: 4.981 HB2 :: 3.479 HB3 :: 2.833 HD1 :: 7.149 HD2 :: 7.149 HE1 :: 6.771 HE2 :: 6.771 HZ :: 6.574 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.103 Ave N Shift Values>> N :: 120.45(4.18) 2.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 173.413 CA :: 44.100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.455 HA2 :: 4.483 HA3 :: 3.616 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.409 Ave N Shift Values>> N :: 109.67(3.87) 2.D6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.671 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 2.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.468 CA :: 44.810 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.936 HA2 :: 4.447 HA3 :: 3.776 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.403 Ave N Shift Values>> N :: 109.67(3.87) 2.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.22 P 0.12 R 0.05 K 0.04 E 0.03 Q 0.03 H 0.03 V 0.01 HN Overlap>> 1.M131 1.M131 C Shift Assignments>> C :: 175.790 CA :: 61.219 CB :: 28.007 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.232 HA :: 4.184 HB2 :: 3.310 HB3 :: 2.758 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 :: 121.800 Ave N Shift Values>> N :: 120.17(4.64) 2.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.27 R 0.11 A 0.04 G 0.03 C Shift Assignments>> C :: 175.044 CA :: 55.389 CB :: 42.880 CG :: 27.340 CD1 :: 25.440 CD2 :: 22.481 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 :: 8.622 HA :: 4.414 HB2 :: 1.848 HB3 :: 1.301 HG :: 1.502 HD11 :: 0.719 HD12 :: 0.719 HD13 :: 0.719 HD21 :: 0.818 HD22 :: 0.818 HD23 :: 0.818 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 :: 128.722 Ave N Shift Values>> N :: 121.86(3.9) 2.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 C 0.2 R 0.01 HN Overlap>> 1.L97 1.L97 C Shift Assignments>> C :: 175.630 CA :: 54.009 CB :: 45.500 CG :: 27.720 CD1 :: 26.410 CD2 :: 25.100 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 :: 8.219 HA :: 5.187 HB2 :: 1.661 HB3 :: 1.601 HG :: 1.480 HD11 :: 0.456 HD12 :: 0.456 HD13 :: 0.456 HD21 :: 0.595 HD22 :: 0.595 HD23 :: 0.595 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 :: 119.794 Ave N Shift Values>> N :: 121.86(3.9) 2.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 C 0.34 Q 0.1 E 0.01 C Shift Assignments>> C :: 174.516 CA :: 54.009 CB :: 32.940 CG :: 33.750 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 :: 9.270 HA :: 4.885 HB2 :: 2.014 HB3 :: 2.014 HG2 :: 2.416 HG3 :: 2.362 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.069 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 174.798 CA :: 62.039 CB :: 38.870 CG1 :: 29.240 CG2 :: 16.791 CD1 :: 14.091 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 :: 8.683 HA :: 3.338 HB :: 1.321 HG12 :: 0.973 HG13 :: 0.814 HG21 :: 0.695 HG22 :: 0.695 HG23 :: 0.695 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 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 :: 128.266 Ave N Shift Values>> N :: 121.46(4.28) 2.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> 1.I51 1.I51 C Shift Assignments>> C :: 174.457 CA :: 62.839 CB :: 31.960 CG1 :: 21.751 CG2 :: 21.191 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 :: 8.236 HA :: 3.887 HB :: 1.738 HG11 :: 0.703 HG12 :: 0.703 HG13 :: 0.703 HG21 :: 0.752 HG22 :: 0.752 HG23 :: 0.752 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.682 Ave N Shift Values>> N :: 121.14(4.54) 2.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.16 F 0.11 Y 0.09 C 0.06 K 0.04 C Shift Assignments>> C :: 178.933 CA :: 54.339 CB :: 40.600 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 :: 7.804 HA :: 4.351 HB2 :: 2.676 HB3 :: 2.634 HD21 :: 7.406 HD22 :: 6.625 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 :: 128.727 ND2 :: 111.200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 179 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 181 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 186 #Suspicious: 0 C Shift Results: #Consistent: 802 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1318 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 195 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L47 HB3 = 0.180(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.9748e-04 1.E74 HA = 6.083(S), Expected = 4.25, Std = 0.4100, ChiSquare = 7.7952e-06 1.I82 HG21 = -0.212(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.7579e-04 1.I82 HG22 = -0.212(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.7579e-04 1.I82 HG23 = -0.212(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.7579e-04 1.L97 HB3 = 0.282(S), Expected = 1.52, Std = 0.3600, ChiSquare = 5.8411e-04 1.F101 HB3 = 1.392(S), Expected = 2.93, Std = 0.4000, ChiSquare = 1.2055e-04 1.F101 HE1 = 6.003(S), Expected = 7.08, Std = 0.3100, ChiSquare = 5.1239e-04 1.F101 HE2 = 6.003(S), Expected = 7.08, Std = 0.3200, ChiSquare = 7.6370e-04 1.M110 HB2 = 0.599(S), Expected = 2.03, Std = 0.3400, ChiSquare = 2.5670e-05 1.M110 HB3 = 0.348(S), Expected = 1.99, Std = 0.3400, ChiSquare = 1.3694e-06 1.N112 HB3 = 0.972(S), Expected = 2.75, Std = 0.3300, ChiSquare = 7.1294e-08