Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.098 CA :: 58.828 CB :: 63.919 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.267 HA :: 4.428 HB2 :: 3.913 HB3 :: 3.877 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 :: 115.849 Ave N Shift Values>> N :: 116.28(3.52) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.14 G 0.01 C Shift Assignments>> C :: 177.015 CA :: 57.075 CB :: 32.811 CG :: 24.625 CD :: 29.072 CE :: 42.349 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 :: 8.393 HA :: 4.290 HB2 :: 1.829 HB3 :: 1.796 HG2 :: 1.465 HG3 :: 1.422 HD2 :: 1.675 HD3 :: 1.675 HE2 :: 2.988 HE3 :: 2.988 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 :: 122.998 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.28 Q 0.14 K 0.13 M 0.06 I 0.02 C Shift Assignments>> C :: 176.933 CA :: 56.987 CB :: 29.700 CG :: 35.592 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 :: 8.277 HA :: 4.295 HB2 :: 2.067 HB3 :: 1.971 HG2 :: 2.315 HG3 :: 2.315 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.440 Ave N Shift Values>> N :: 120.67(3.48) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 HN Overlap>> 1.A48 1.A48 C Shift Assignments>> C :: 176.895 CA :: 63.364 CB :: 32.630 CG1 :: 21.351 CG2 :: 21.351 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 :: 8.044 HA :: 4.034 HB :: 2.105 HG11 :: 0.988 HG12 :: 0.988 HG13 :: 0.988 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 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 :: 120.610 Ave N Shift Values>> N :: 121.14(4.54) 1.M5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 C 0.34 Q 0.19 K 0.1 C Shift Assignments>> C :: 176.899 CA :: 56.572 CB :: 32.471 CG :: 31.092 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 :: 8.336 HA :: 4.359 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 2.552 HG3 :: 2.552 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 :: 122.058 Ave N Shift Values>> N :: 120.09(3.57) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.18 M 0.15 Q 0.12 R 0.09 H 0.07 W 0.07 E 0.04 V 0.04 C Shift Assignments>> C :: 176.950 CA :: 57.649 CB :: 32.859 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 :: 8.156 HA :: 4.172 HB2 :: 1.832 HB3 :: 1.897 HG2 :: 1.476 HG3 :: 1.500 HD2 :: 1.707 HD3 :: 1.707 HE2 :: 2.993 HE3 :: 2.993 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 :: 122.499 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.25 E 0.07 M 0.07 R 0.02 C Shift Assignments>> C :: 176.488 CA :: 56.638 CB :: 29.560 CG :: 33.767 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 :: 8.099 HE21 :: 6.859 HE22 :: 7.471 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.351 NE2 :: 112.113 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HD21 :: 7.011 HD22 :: 7.730 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 :: 111.375 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.45 I 0.19 A 0.11 C 0.1 V 0.09 T 0.01 L 0.01 C Shift Assignments>> C :: 180.136 CA :: 57.443 CB :: 19.089 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.089 HB1 :: 1.567 HB2 :: 1.567 HB3 :: 1.567 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 I 0.24 W 0.16 V 0.07 E 0.07 R 0.05 H 0.05 Q 0.04 P 0.02 K 0.01 C Shift Assignments>> C :: 177.716 CA :: 61.208 CB :: 29.494 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.376 HA :: 4.386 HB2 :: 1.986 HB3 :: 1.986 HG2 :: 1.618 HG3 :: 1.618 HD2 :: 1.806 HD3 :: 1.806 HE2 :: 3.052 HE3 :: 3.052 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 :: 115.630 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 177.762 CA :: 66.261 CB :: 31.343 CG :: 27.849 CD :: 49.377 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 :: 4.244 HB2 :: 2.305 HB3 :: 1.804 HG2 :: 2.054 HG3 :: 1.960 HD2 :: 3.748 HD3 :: 3.262 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.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 E 0.1 Q 0.09 M 0.06 HN Overlap>> 1.M78 1.L140 1.M78 1.L140 C Shift Assignments>> C :: 177.813 CA :: 60.030 CB :: 32.406 CG :: 34.364 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 :: 8.326 HA :: 3.764 HB2 :: 2.260 HB3 :: 2.018 HG2 :: 2.694 HG3 :: 2.310 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.311 Ave N Shift Values>> N :: 120.09(3.57) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.22 K 0.16 Q 0.14 I 0.09 M 0.01 R 0.01 C Shift Assignments>> C :: 178.870 CA :: 59.374 CB :: 28.992 CG :: 35.115 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 :: 8.156 HA :: 4.053 HB2 :: 2.211 HB3 :: 2.148 HG2 :: 2.413 HG3 :: 2.413 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 :: 120.849 Ave N Shift Values>> N :: 120.67(3.48) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 I 0.02 C 0.02 C Shift Assignments>> C :: 181.315 CA :: 54.908 CB :: 18.300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.673 HA :: 4.196 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.817 Ave N Shift Values>> N :: 123.23(3.54) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.18 K 0.17 C 0.13 I 0.13 R 0.05 L 0.04 D 0.01 C Shift Assignments>> C :: 175.391 CA :: 60.271 CB :: 41.836 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.506 HA :: 4.223 HB2 :: 2.962 HB3 :: 2.545 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 :: 116.451 Ave N Shift Values>> N :: 120.17(4.64) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.36 R 0.07 G 0.02 C Shift Assignments>> C :: 179.007 CA :: 61.055 CB :: 32.408 CG :: 25.026 CD :: 29.802 CE :: 42.375 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 :: 8.783 HA :: 3.975 HB2 :: 1.998 HB3 :: 1.933 HG2 :: 1.417 HG3 :: 1.417 HD2 :: 1.741 HD3 :: 1.656 HE2 :: 2.954 HE3 :: 2.954 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.292 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.26 E 0.07 R 0.05 M 0.02 I 0.01 C Shift Assignments>> C :: 178.230 CA :: 58.144 CB :: 28.606 CG :: 33.892 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 :: 7.312 HA :: 4.164 HB2 :: 2.161 HB3 :: 2.161 HG2 :: 2.547 HG3 :: 2.426 HE21 :: 6.770 HE22 :: 7.489 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 :: 115.504 NE2 :: 111.527 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.36 M 0.07 I 0.06 Q 0.02 K 0.02 C Shift Assignments>> C :: 178.348 CA :: 59.358 CB :: 30.820 CG :: 36.204 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 :: 7.946 HA :: 4.021 HB2 :: 2.135 HB3 :: 2.011 HG2 :: 2.370 HG3 :: 2.127 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 :: 119.023 Ave N Shift Values>> N :: 120.67(3.48) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.25 R 0.14 G 0.06 A 0.04 HN Overlap>> 1.D133 1.D133 C Shift Assignments>> C :: 177.210 CA :: 55.382 CB :: 43.222 CG :: 27.293 CD1 :: 25.816 CD2 :: 22.462 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 :: 8.501 HA :: 4.184 HB2 :: 1.767 HB3 :: 1.419 HG :: 1.862 HD11 :: 0.648 HD12 :: 0.648 HD13 :: 0.648 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 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 :: 115.473 Ave N Shift Values>> N :: 121.86(3.9) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.19 E 0.12 Y 0.09 M 0.07 F 0.06 D 0.03 K 0.01 HN Overlap>> 1.C54 1.C54 C Shift Assignments>> C :: 174.366 CA :: 54.042 CB :: 37.070 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 :: 7.881 HA :: 4.416 HB2 :: 3.257 HB3 :: 2.547 HD21 :: 6.680 HD22 :: 7.446 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 :: 117.188 ND2 :: 111.273 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.19 A 0.08 C Shift Assignments>> C :: 173.779 CA :: 57.304 CB :: 32.776 CG1 :: 21.897 CG2 :: 19.119 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 :: 7.049 HA :: 4.831 HB :: 2.000 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.707 HG22 :: 0.707 HG23 :: 0.707 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 :: 109.350 Ave N Shift Values>> N :: 121.14(4.54) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.43 C Shift Assignments>> C :: 177.480 CA :: 61.866 CB :: 32.975 CG :: 27.603 CD :: 50.622 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 :: 4.640 HB2 :: 2.448 HB3 :: 2.096 HG2 :: 2.120 HG3 :: 1.949 HD2 :: 3.860 HD3 :: 3.529 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.D27 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 K 0.1 L 0.09 I 0.08 D 0.06 C Shift Assignments>> C :: 178.492 CA :: 58.298 CB :: 40.774 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 :: 8.737 HA :: 4.208 HB2 :: 2.644 HB3 :: 2.579 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 :: 121.114 Ave N Shift Values>> N :: 120.65(3.86) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.42 C 0.04 I 0.04 V 0.01 C Shift Assignments>> C :: 179.898 CA :: 55.429 CB :: 18.701 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.573 HA :: 4.026 HB1 :: 1.419 HB2 :: 1.419 HB3 :: 1.419 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.789 Ave N Shift Values>> N :: 123.23(3.54) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 178.082 CA :: 65.170 CB :: 31.919 CG1 :: 23.123 CG2 :: 21.408 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 :: 7.094 HA :: 3.795 HB :: 1.978 HG11 :: 1.022 HG12 :: 1.022 HG13 :: 1.022 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.310 Ave N Shift Values>> N :: 121.14(4.54) 1.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 C 0.3 M 0.14 R 0.13 Q 0.09 C Shift Assignments>> C :: 179.130 CA :: 56.563 CB :: 29.236 CG :: 31.594 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 :: 7.156 HA :: 4.279 HB2 :: 2.388 HB3 :: 2.141 HG2 :: 2.707 HG3 :: 2.415 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 :: 117.375 Ave N Shift Values>> N :: 120.09(3.57) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.22 R 0.1 E 0.05 I 0.01 M 0.01 C Shift Assignments>> C :: 178.197 CA :: 57.980 CB :: 27.907 CG :: 33.842 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 :: 8.040 HA :: 4.188 HB2 :: 2.245 HB3 :: 2.149 HG2 :: 2.536 HG3 :: 2.536 HE21 :: 6.800 HE22 :: 7.531 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 :: 115.617 NE2 :: 112.224 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.13 D 0.11 L 0.09 I 0.06 N 0.03 K 0.01 C Shift Assignments>> C :: 177.781 CA :: 57.188 CB :: 39.828 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 :: 7.836 HA :: 4.513 HB2 :: 3.167 HB3 :: 2.627 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 :: 120.087 Ave N Shift Values>> N :: 120.65(3.86) 1.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 174.930 CA :: 61.631 CB :: 39.080 CD1 :: 132.135 CD2 :: 132.135 CE1 :: 129.913 CE2 :: 129.913 CZ :: 128.691 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 :: 7.773 HA :: 3.952 HB2 :: 2.907 HB3 :: 2.692 HD1 :: 6.263 HD2 :: 6.263 HE1 :: 6.559 HE2 :: 6.559 HZ :: 6.476 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 :: 118.629 Ave N Shift Values>> N :: 120.45(4.18) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 179.102 CA :: 60.752 CB :: 38.873 CD1 :: 131.068 CD2 :: 131.068 CE1 :: 131.752 CE2 :: 131.752 CZ :: 130.168 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 :: 7.035 HA :: 4.150 HB2 :: 3.247 HB3 :: 3.005 HD1 :: 7.356 HD2 :: 7.356 HE1 :: 7.458 HE2 :: 7.458 HZ :: 7.381 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 :: 113.931 Ave N Shift Values>> N :: 120.45(4.18) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.2 Y 0.15 E 0.13 F 0.11 M 0.05 D 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 175.844 CA :: 55.208 CB :: 37.502 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 :: 8.143 HA :: 4.096 HB2 :: 2.520 HB3 :: 2.045 HD21 :: 6.993 HD22 :: 7.818 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 :: 117.147 ND2 :: 112.483 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 174.985 CA :: 61.096 CB :: 39.232 CD1 :: 131.223 CD2 :: 131.223 CE1 :: 130.622 CE2 :: 130.622 CZ :: 128.489 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 :: 7.817 HA :: 3.436 HB2 :: 2.906 HB3 :: 2.012 HD1 :: 5.653(S) HD2 :: 5.653(S) HE1 :: 6.500 HE2 :: 6.500 HZ :: 6.604 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 :: 118.435 Ave N Shift Values>> N :: 120.45(4.18) 1.W37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 W 0.47 C Shift Assignments>> C :: 175.905 CA :: 55.906 CB :: 30.486 CD1 :: 129.588 CE3 :: 121.170 CZ2 :: 113.414 CZ3 :: 120.652 CH2 :: 123.671 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.581 HA :: 4.046 HB2 :: 2.827 HB3 :: 2.827 HD1 :: 7.212 HE3 :: 7.633 HZ2 :: 6.963 HZ3 :: 7.036 HH2 :: 7.142 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 114.072 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.49 C Shift Assignments>> C :: 177.311 CA :: 56.858 CB :: 33.940 CG :: 25.812 CD :: 29.522 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 :: 7.536 HA :: 4.271 HB2 :: 1.878 HB3 :: 1.817 HG3 :: 1.439 HD2 :: 1.638 HD3 :: 1.498 HE2 :: 2.941 HE3 :: 2.874 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 :: 120.289 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.3 K 0.14 Q 0.12 I 0.05 M 0.03 C Shift Assignments>> C :: 177.642 CA :: 57.625 CB :: 29.359 CG :: 35.714 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.774 HA :: 4.083 HB2 :: 1.968 HB3 :: 1.968 HG2 :: 2.311 HG3 :: 2.311 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 :: 124.123 Ave N Shift Values>> N :: 120.67(3.48) 1.G40 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 :: 173.680 CA :: 45.386 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.706 HA2 :: 4.042 HA3 :: 3.624 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.342 Ave N Shift Values>> N :: 109.67(3.87) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 175.266 CA :: 58.156 CB :: 40.191 CD1 :: 133.288 CD2 :: 133.288 CE1 :: 118.214 CE2 :: 118.214 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 :: 7.342 HA :: 4.332 HB2 :: 2.838 HB3 :: 2.606 HD1 :: 6.907 HD2 :: 6.907 HE1 :: 6.729 HE2 :: 6.729 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 :: 120.305 Ave N Shift Values>> N :: 120.52(4.2) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.27 C 0.22 M 0.1 E 0.03 R 0.02 C Shift Assignments>> C :: 174.187 CA :: 54.585 CB :: 29.577 CG :: 33.454 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 :: 8.401 HA :: 4.353 HB2 :: 1.873 HB3 :: 1.759 HG2 :: 2.124 HG3 :: 2.124 HE21 :: 6.604 HE22 :: 7.245 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 :: 124.596 NE2 :: 111.356 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.741 CA :: 60.007 CB :: 37.994 CG1 :: 27.167 CG2 :: 17.650 CD1 :: 12.068 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 :: 7.971 HA :: 4.271 HB :: 1.919 HG12 :: 1.417 HG13 :: 1.314 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 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 :: 125.090 Ave N Shift Values>> N :: 121.46(4.28) 1.T44 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 :: 174.004 CA :: 60.688 CB :: 69.831 CG2 :: 21.297 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 :: 8.378 HA :: 4.489 HB :: 4.419 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.349 Ave N Shift Values>> N :: 115.42(4.75) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.25 L 0.08 F 0.07 C 0.07 Y 0.07 C Shift Assignments>> C :: 175.960 CA :: 53.244 CB :: 39.455 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 :: 7.507 HA :: 4.672 HB2 :: 2.906 HB3 :: 2.883 HD21 :: 7.028 HD22 :: 7.981 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 :: 120.964 ND2 :: 113.427 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.35 R 0.16 L 0.05 G 0.01 C Shift Assignments>> C :: 177.731 CA :: 59.487 CB :: 29.048 CG :: 25.556 CD :: 42.482 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 :: 8.891 HA :: 3.872 HB2 :: 1.977 HB3 :: 1.755 HG2 :: 1.746 HG3 :: 1.504 HD2 :: 3.418 HD3 :: 3.140 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.942 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.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.23 R 0.06 E 0.06 I 0.03 M 0.01 C Shift Assignments>> C :: 178.820 CA :: 59.047 CB :: 28.306 CG :: 33.904 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 :: 8.705 HA :: 4.106 HB2 :: 2.015 HB3 :: 1.912 HG2 :: 2.444 HG3 :: 2.444 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 :: 120.323 Ave N Shift Values>> N :: 120.67(3.48) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.23 I 0.06 C 0.02 HN Overlap>> 1.V4 1.V4 C Shift Assignments>> C :: 180.658 CA :: 55.658 CB :: 17.568 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.098 HA :: 3.977 HB1 :: 1.329 HB2 :: 1.329 HB3 :: 1.329 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.620 Ave N Shift Values>> N :: 123.23(3.54) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.560 CA :: 46.897 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.616 HA2 :: 4.403 HA3 :: 3.439 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.488 Ave N Shift Values>> N :: 109.67(3.87) 1.C50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.21 Q 0.18 K 0.13 E 0.11 H 0.02 R 0.02 Y 0.02 W 0.01 N 0.01 C Shift Assignments>> C :: 178.268 CA :: 55.489 CB :: 34.790 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.484 HA :: 4.566 HB2 :: 3.217 HB3 :: 3.153 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 :: 118.594 Ave N Shift Values>> N :: 120.17(4.64) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.A129 1.A129 C Shift Assignments>> C :: 176.644 CA :: 67.786 CB :: 31.285 CG1 :: 23.436 CG2 :: 21.934 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 :: 8.092 HA :: 3.234 HB :: 2.216 HG11 :: 0.928 HG12 :: 0.928 HG13 :: 0.928 HG21 :: 0.621 HG22 :: 0.621 HG23 :: 0.621 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 :: 122.186 Ave N Shift Values>> N :: 121.14(4.54) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 176.256 CA :: 66.983 CB :: 38.235 CG1 :: 30.138 CG2 :: 17.584 CD1 :: 12.715 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 :: 7.481 HA :: 3.218 HB :: 1.770 HG12 :: 2.088 HG13 :: 0.875 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 HD11 :: 0.413 HD12 :: 0.413 HD13 :: 0.413 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 :: 118.452 Ave N Shift Values>> N :: 121.46(4.28) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.36 R 0.06 G 0.02 C Shift Assignments>> C :: 178.320 CA :: 57.945 CB :: 42.738 CG :: 26.723 CD1 :: 25.466 CD2 :: 23.785 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 :: 7.473 HA :: 3.869 HB2 :: 1.727 HB3 :: 1.477 HG :: 1.624 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 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 :: 115.771 Ave N Shift Values>> N :: 121.86(3.9) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 F 0.18 C 0.15 Y 0.11 G 0.11 I 0.07 K 0.06 L 0.05 HN Overlap>> 1.N24 1.N24 C Shift Assignments>> C :: 176.581 CA :: 60.681 CB :: 43.218 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.783 HA :: 4.119 HB2 :: 3.281 HB3 :: 3.002 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.214 Ave N Shift Values>> N :: 120.17(4.64) 1.L55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.51 C 0.45 R 0.02 C Shift Assignments>> C :: 179.232 CA :: 58.336 CB :: 41.984 CG :: 26.342 CD1 :: 23.160 CD2 :: 25.102 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 :: 8.515 HA :: 3.602 HB2 :: 1.606 HB3 :: 0.850 HG :: 1.462 HD11 :: 0.353 HD12 :: 0.353 HD13 :: 0.353 HD21 :: -0.326(S) HD22 :: -0.326(S) HD23 :: -0.326(S) 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 :: 121.514 Ave N Shift Values>> N :: 121.86(3.9) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.43 C 0.03 I 0.02 C Shift Assignments>> C :: 179.488 CA :: 55.110 CB :: 18.692 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.754 HA :: 3.815 HB1 :: 1.628 HB2 :: 1.628 HB3 :: 1.628 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.094 Ave N Shift Values>> N :: 123.23(3.54) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.14 G 0.01 HN Overlap>> 1.H80 1.L61 1.H80 1.L61 C Shift Assignments>> C :: 177.968 CA :: 57.005 CB :: 33.093 CG :: 24.975 CD :: 29.154 CE :: 42.598 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 :: 7.518 HA :: 4.368 HB2 :: 2.016 HB3 :: 2.016 HG2 :: 1.579 HG3 :: 1.520 HD2 :: 1.632 HD3 :: 1.632 HE2 :: 3.025 HE3 :: 2.910 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.518 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.33 R 0.2 G 0.03 C Shift Assignments>> C :: 176.932 CA :: 55.116 CB :: 32.821 CG :: 25.126 CD :: 28.964 CE :: 42.885 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 :: 7.733 HA :: 4.752 HB2 :: 2.233 HB3 :: 1.643 HG2 :: 1.541 HG3 :: 1.541 HD2 :: 1.636 HD3 :: 1.636 HE2 :: 2.734 HE3 :: 2.669 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 :: 119.966 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.47 A 0.01 C Shift Assignments>> C :: 179.689 CA :: 57.693 CB :: 40.419 CG :: 25.826 CD1 :: 25.578 CD2 :: 22.473 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 :: 7.573 HA :: 3.848 HB2 :: 1.904 HB3 :: 1.549 HG :: 2.034 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 HD21 :: 0.658 HD22 :: 0.658 HD23 :: 0.658 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 :: 118.300 Ave N Shift Values>> N :: 121.86(3.9) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.12 K 0.09 Q 0.05 C Shift Assignments>> C :: 176.507 CA :: 57.459 CB :: 28.114 CG :: 36.288 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 :: 8.583 HA :: 4.299 HB2 :: 2.364 HB3 :: 1.911 HG2 :: 2.504 HG3 :: 2.392 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 :: 114.947 Ave N Shift Values>> N :: 120.67(3.48) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.28 R 0.15 A 0.03 G 0.01 HN Overlap>> 1.M66 1.M66 1.K57 1.K57 C Shift Assignments>> C :: 178.295 CA :: 55.543 CB :: 42.446 CG :: 27.431 CD1 :: 25.985 CD2 :: 22.805 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 :: 7.618 HA :: 4.323 HB2 :: 1.713 HB3 :: 1.498 HG :: 1.718 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 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 :: 116.565 Ave N Shift Values>> N :: 121.86(3.9) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.31 C 0.27 G 0.04 K 0.01 C Shift Assignments>> C :: 176.675 CA :: 54.585 CB :: 42.892 CG :: 27.058 CD1 :: 27.955 CD2 :: 24.514 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 :: 7.402 HA :: 4.145 HB2 :: 1.898 HB3 :: 1.340 HG :: 1.534 HD11 :: 0.719 HD12 :: 0.719 HD13 :: 0.719 HD21 :: 0.506 HD22 :: 0.506 HD23 :: 0.506 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 :: 118.019 Ave N Shift Values>> N :: 121.86(3.9) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.13 F 0.11 Y 0.09 N 0.07 C 0.06 R 0.01 C Shift Assignments>> C :: 178.806 CA :: 55.009 CB :: 41.171 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 :: 8.304 HA :: 4.463 HB2 :: 2.832 HB3 :: 2.624 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 :: 120.382 Ave N Shift Values>> N :: 120.65(3.86) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.24 E 0.09 R 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 178.398 CA :: 58.409 CB :: 28.469 CG :: 34.141 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 :: 9.072 HA :: 4.147 HB2 :: 2.258 HB3 :: 2.144 HG2 :: 2.552 HG3 :: 2.552 HE21 :: 6.891 HE22 :: 7.459 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 :: 125.501 NE2 :: 113.407 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 F 0.19 D 0.17 N 0.16 C 0.12 L 0.08 I 0.02 C Shift Assignments>> C :: 177.244 CA :: 55.664 CB :: 39.214 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 :: 8.897 HA :: 4.460 HB2 :: 2.784 HB3 :: 2.703 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 :: 118.934 Ave N Shift Values>> N :: 120.65(3.86) 1.M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.43 Q 0.1 E 0.01 HN Overlap>> 1.L61 1.L61 C Shift Assignments>> C :: 177.097 CA :: 56.282 CB :: 32.992 CG :: 33.158 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 :: 7.708 HA :: 4.546 HB2 :: 2.775 HB3 :: 2.573 HG2 :: 2.332 HG3 :: 1.919 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.564 Ave N Shift Values>> N :: 120.09(3.57) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 Y 0.14 C 0.14 D 0.12 F 0.12 L 0.04 E 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 172.710 CA :: 54.594 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 :: 7.959 HA :: 4.333 HB2 :: 3.214 HB3 :: 2.719 HD21 :: 7.102 HD22 :: 7.126 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.421 ND2 :: 112.678 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 A 0.25 C 0.21 C Shift Assignments>> C :: 172.364 CA :: 54.176 CB :: 41.242 CG :: 26.376 CD1 :: 25.191 CD2 :: 21.588 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 :: 8.380 HA :: 4.358 HB2 :: 1.499 HB3 :: 0.780 HG :: 1.160 HD11 :: 0.291 HD12 :: 0.291 HD13 :: 0.291 HD21 :: -0.017 HD22 :: -0.017 HD23 :: -0.017 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 :: 122.379 Ave N Shift Values>> N :: 121.86(3.9) 1.H69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.45 W 0.29 C 0.24 C Shift Assignments>> C :: 173.690 CA :: 52.879 CB :: 32.251 CD2 :: 120.080 CE1 :: 138.049 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.960 HA :: 4.763 HB2 :: 3.263 HB3 :: 2.653 HD2 :: 7.077 HE1 :: 8.785 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.855 ND1 :: 183.026 NE2 :: 171.918 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 H 0.33 C 0.3 C Shift Assignments>> C :: 176.313 CA :: 58.002 CB :: 28.372 CD2 :: 120.212 CE1 :: 137.834 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 :: 9.759 HA :: 4.605 HB2 :: 3.400 HB3 :: 3.170 HD2 :: 7.281 HE1 :: 8.646 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 :: 121.592 ND1 :: 177.988 NE2 :: 172.696 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G71 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 C Shift Assignments>> C :: 174.914 CA :: 45.331 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.091 HA2 :: 4.021 HA3 :: 3.739 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.587 Ave N Shift Values>> N :: 109.67(3.87) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.29 R 0.18 G 0.02 C Shift Assignments>> C :: 177.500 CA :: 54.124 CB :: 32.034 CG :: 24.281 CD :: 29.196 CE :: 42.524 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 :: 7.542 HA :: 5.078 HB2 :: 2.063 HB3 :: 1.756 HG2 :: 1.324 HG3 :: 1.211 HD2 :: 1.685 HD3 :: 1.494 HE2 :: 2.922 HE3 :: 2.922 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 :: 120.151 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.27 L 0.18 C 0.18 V 0.14 M 0.12 T 0.08 I 0.01 C Shift Assignments>> C :: 179.205 CA :: 56.365 CB :: 20.617 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.034 HA :: 3.879 HB1 :: 1.621 HB2 :: 1.621 HB3 :: 1.621 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.927 Ave N Shift Values>> N :: 123.23(3.54) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.27 K 0.12 Q 0.11 C Shift Assignments>> C :: 177.683 CA :: 58.479 CB :: 30.902 CG :: 32.013 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 :: 8.657 HA :: 4.080 HB2 :: 2.099 HB3 :: 1.979 HG2 :: 2.663 HG3 :: 2.410 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.001 Ave N Shift Values>> N :: 120.09(3.57) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.35 E 0.22 K 0.02 C Shift Assignments>> C :: 179.502 CA :: 60.346 CB :: 29.174 CG :: 36.969 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.019 HA :: 3.946 HB2 :: 2.159 HB3 :: 1.992 HG2 :: 2.466 HG3 :: 2.349 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 :: 120.153 Ave N Shift Values>> N :: 120.67(3.48) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 F 0.32 C 0.22 C Shift Assignments>> C :: 177.558 CA :: 60.796 CB :: 38.515 CD1 :: 132.597 CD2 :: 132.597 CZ :: 128.984 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 :: 7.882 HA :: 4.476 HB2 :: 3.785 HB3 :: 3.153 HD1 :: 7.202 HD2 :: 7.202 HZ :: 6.811 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.625 Ave N Shift Values>> N :: 120.45(4.18) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.42 M 0.4 C 0.07 I 0.04 V 0.02 L 0.01 C Shift Assignments>> C :: 180.240 CA :: 55.789 CB :: 19.251 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.181 HA :: 3.382 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.430 Ave N Shift Values>> N :: 123.23(3.54) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.38 Q 0.13 K 0.01 E 0.01 HN Overlap>> 1.L140 1.M16 1.L140 1.M16 C Shift Assignments>> C :: 179.431 CA :: 58.039 CB :: 32.734 CG :: 32.013 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 :: 8.306 HA :: 4.767 HB2 :: 2.198 HB3 :: 2.006 HG2 :: 2.633 HG3 :: 2.385 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.273 Ave N Shift Values>> N :: 120.09(3.57) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.47 C Shift Assignments>> C :: 176.788 CA :: 56.872 CB :: 32.178 CG :: 25.419 CD :: 28.938 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 :: 7.658 HA :: 4.263 HB2 :: 1.864 HB3 :: 1.811 HG2 :: 1.452 HG3 :: 1.452 HD2 :: 1.617 HD3 :: 1.617 HE2 :: 2.951 HE3 :: 2.951 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 :: 119.388 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 H 0.35 C 0.26 HN Overlap>> 1.K57 1.K57 C Shift Assignments>> C :: 174.218 CA :: 55.697 CB :: 28.107 CD2 :: 121.145 CE1 :: 136.018 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.484 HA :: 4.523 HB2 :: 3.380 HB3 :: 2.212 HD2 :: 7.140 HE1 :: 8.727 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.484 ND1 :: 176.412 NE2 :: 173.746 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G81 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 :: 174.146 CA :: 46.050 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.668 HA2 :: 4.230 HA3 :: 3.652 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.854 Ave N Shift Values>> N :: 109.67(3.87) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.03 C 0.01 C Shift Assignments>> C :: 176.589 CA :: 51.241 CB :: 19.768 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.755 HA :: 4.520 HB1 :: 1.188 HB2 :: 1.188 HB3 :: 1.188 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.069 Ave N Shift Values>> N :: 123.23(3.54) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.28 L 0.15 C 0.05 F 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 175.516 CA :: 52.371 CB :: 40.737 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 :: 7.645 HA :: 4.662 HB2 :: 3.057 HB3 :: 2.725 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 :: 120.358 Ave N Shift Values>> N :: 120.65(3.86) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.23 I 0.14 K 0.11 Q 0.08 M 0.01 C Shift Assignments>> C :: 177.686 CA :: 60.369 CB :: 29.330 CG :: 35.308 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 :: 8.638 HA :: 3.878 HB2 :: 2.075 HB3 :: 1.987 HG2 :: 2.356 HG3 :: 2.260 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 :: 120.538 Ave N Shift Values>> N :: 120.67(3.48) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 181.237 CA :: 55.369 CB :: 17.989 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.045 HA :: 4.015 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.263 Ave N Shift Values>> N :: 123.23(3.54) 1.M86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.24 Q 0.17 E 0.12 K 0.03 C Shift Assignments>> C :: 177.471 CA :: 58.722 CB :: 34.250 CG :: 31.471 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 :: 8.143 HA :: 3.889 HB2 :: 1.914 HB3 :: 1.755 HG2 :: 2.186 HG3 :: 1.227 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.985 Ave N Shift Values>> N :: 120.09(3.57) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.16 C 0.03 L 0.01 C Shift Assignments>> C :: 182.226 CA :: 53.904 CB :: 19.479 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.204 HA :: 4.526 HB1 :: 1.407 HB2 :: 1.407 HB3 :: 1.407 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.172 Ave N Shift Values>> N :: 123.23(3.54) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.4 R 0.13 G 0.01 C Shift Assignments>> C :: 177.977 CA :: 59.326 CB :: 32.838 CG :: 25.345 CD :: 29.297 CE :: 42.393 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 :: 8.562 HA :: 4.063 HB2 :: 1.960 HB3 :: 1.911 HG2 :: 1.567 HG3 :: 1.507 HD2 :: 1.777 HD3 :: 1.656 HE2 :: 3.040 HE3 :: 3.040 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 :: 119.348 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.21 Q 0.21 E 0.1 I 0.05 R 0.03 C Shift Assignments>> C :: 179.052 CA :: 59.568 CB :: 28.555 CG :: 34.307 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 :: 8.271 HA :: 4.239 HB2 :: 2.458 HB3 :: 2.390 HG2 :: 2.667 HG3 :: 2.375 HE21 :: 6.980 HE22 :: 7.331 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 :: 120.720 NE2 :: 111.257 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.46 R 0.03 HN Overlap>> 1.T111 1.T111 C Shift Assignments>> C :: 179.061 CA :: 58.601 CB :: 41.241 CG :: 27.191 CD1 :: 26.302 CD2 :: 23.816 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 :: 7.853 HA :: 4.136 HB2 :: 2.102 HB3 :: 1.346 HG :: 2.137 HD11 :: 0.942 HD12 :: 0.942 HD13 :: 0.942 HD21 :: 0.708 HD22 :: 0.708 HD23 :: 0.708 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 :: 115.907 Ave N Shift Values>> N :: 121.86(3.9) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.39 R 0.02 C Shift Assignments>> C :: 178.667 CA :: 57.741 CB :: 41.785 CG :: 26.658 CD1 :: 25.159 CD2 :: 22.712 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 :: 7.057 HA :: 3.859 HB2 :: 1.916 HB3 :: 1.252 HG :: 1.642 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 0.720 HD22 :: 0.720 HD23 :: 0.720 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 :: 119.358 Ave N Shift Values>> N :: 121.86(3.9) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.29 C 0.14 I 0.09 D 0.07 L 0.06 N 0.02 C Shift Assignments>> C :: 180.095 CA :: 57.724 CB :: 39.572 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 :: 8.841 HA :: 4.422 HB2 :: 2.996 HB3 :: 2.776 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.508 Ave N Shift Values>> N :: 120.65(3.86) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 178.618 CA :: 65.472 CB :: 38.011 CG1 :: 29.422 CG2 :: 18.861 CD1 :: 15.132 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 :: 8.421 HA :: 3.850 HB :: 2.089 HG12 :: 1.994 HG13 :: 1.223 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.235 Ave N Shift Values>> N :: 121.46(4.28) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.2 R 0.19 G 0.04 C Shift Assignments>> C :: 178.002 CA :: 61.541 CB :: 32.612 CG :: 26.069 CD :: 29.703 CE :: 42.690 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 :: 8.012 HA :: 3.756 HB2 :: 1.999 HB3 :: 1.772 HG2 :: 1.713 HG3 :: 0.999 HD2 :: 1.823 HD3 :: 1.369 HE2 :: 3.016 HE3 :: 2.607 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 :: 121.454 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 C 0.32 H 0.31 C Shift Assignments>> C :: 177.759 CA :: 57.371 CB :: 28.250 CD2 :: 119.161 CE1 :: 135.860 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 :: 8.743 HA :: 4.636 HB2 :: 3.372 HB3 :: 3.372 HD2 :: 7.468 HE1 :: 8.689 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.503 ND1 :: 177.035 NE2 :: 176.050 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.239 CA :: 62.342 CB :: 62.574 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.866 HA :: 4.342 HB2 :: 4.149 HB3 :: 4.046 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 :: 118.222 Ave N Shift Values>> N :: 116.28(3.52) 1.C97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.25 I 0.19 C 0.14 K 0.05 L 0.03 D 0.01 C Shift Assignments>> C :: 176.720 CA :: 59.847 CB :: 40.658 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.552 HA :: 4.539 HB2 :: 3.614 HB3 :: 2.865 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 :: 120.682 Ave N Shift Values>> N :: 120.17(4.64) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 I 0.36 E 0.15 C Shift Assignments>> C :: 177.057 CA :: 60.109 CB :: 29.664 CG :: 37.876 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 :: 8.152 HA :: 3.799 HB2 :: 2.373 HB3 :: 2.183 HG2 :: 2.763 HG3 :: 2.373 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 :: 118.596 Ave N Shift Values>> N :: 120.67(3.48) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.12 G 0.01 C Shift Assignments>> C :: 177.559 CA :: 57.258 CB :: 33.458 CG :: 25.100 CD :: 28.809 CE :: 42.324 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 :: 7.214 HA :: 4.373 HB2 :: 2.074 HB3 :: 2.029 HG2 :: 1.713 HG3 :: 1.581 HD2 :: 1.724 HD3 :: 1.724 HE2 :: 3.025 HE3 :: 3.025 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.175 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 177.158 CA :: 61.886 CB :: 33.764 CG1 :: 21.311 CG2 :: 19.673 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 :: 7.483 HA :: 4.615 HB :: 2.333 HG11 :: 0.965 HG12 :: 0.965 HG13 :: 0.965 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 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 :: 111.534 Ave N Shift Values>> N :: 121.14(4.54) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.43 C Shift Assignments>> C :: 175.821 CA :: 61.653 CB :: 40.814 CG1 :: 24.361 CG2 :: 18.829 CD1 :: 15.417 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 :: 7.448 HA :: 4.315 HB :: 1.928 HG12 :: 1.331 HG13 :: 1.331 HG21 :: 1.126 HG22 :: 1.126 HG23 :: 1.126 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 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 :: 115.078 Ave N Shift Values>> N :: 121.46(4.28) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.395 CA :: 63.706 CB :: 69.378 CG2 :: 21.909 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 :: 8.507 HA :: 4.136 HB :: 3.879 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 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 :: 118.342 Ave N Shift Values>> N :: 115.42(4.75) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.999 CA :: 60.386 CB :: 37.647 CG1 :: 27.217 CG2 :: 17.006 CD1 :: 12.396 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 :: 8.508 HA :: 4.016 HB :: 1.851 HG12 :: 1.590 HG13 :: 1.241 HG21 :: 0.781 HG22 :: 0.781 HG23 :: 0.781 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 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 :: 129.135 Ave N Shift Values>> N :: 121.46(4.28) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 176.864 CA :: 61.651 CB :: 30.352 CG1 :: 22.811 CG2 :: 20.533 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 :: 8.023 HA :: 4.065 HB :: 2.140 HG11 :: 0.978 HG12 :: 0.978 HG13 :: 0.978 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 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 :: 130.493 Ave N Shift Values>> N :: 121.14(4.54) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.34 I 0.05 C 0.03 C Shift Assignments>> C :: 178.193 CA :: 55.627 CB :: 18.400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.824 HA :: 3.864 HB1 :: 1.388 HB2 :: 1.388 HB3 :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.922 Ave N Shift Values>> N :: 123.23(3.54) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.3 L 0.1 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 175.535 CA :: 53.085 CB :: 39.895 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 :: 8.237 HA :: 4.645 HB2 :: 2.859 HB3 :: 2.718 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 :: 112.184 Ave N Shift Values>> N :: 120.65(3.86) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.24 L 0.17 C 0.05 K 0.04 F 0.04 Y 0.02 C Shift Assignments>> C :: 173.419 CA :: 51.412 CB :: 41.270 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 :: 7.588 HA :: 5.119 HB2 :: 2.878 HB3 :: 2.427 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.205 Ave N Shift Values>> N :: 120.65(3.86) 1.P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 179.801 CA :: 64.346 CB :: 32.473 CG :: 27.190 CD :: 50.635 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 :: 4.469 HB2 :: 2.403 HB3 :: 1.842 HG2 :: 2.041 HG3 :: 2.017 HD2 :: 3.931 HD3 :: 3.569 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.C109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.12 R 0.06 F 0.06 Y 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 176.088 CA :: 61.168 CB :: 44.504 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.745 HA :: 4.003 HB2 :: 3.717 HB3 :: 3.104 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 :: 115.197 Ave N Shift Values>> N :: 120.17(4.64) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.26 K 0.24 E 0.12 R 0.02 I 0.02 M 0.02 HN Overlap>> 1.C118 1.C118 C Shift Assignments>> C :: 177.787 CA :: 58.107 CB :: 28.986 CG :: 34.308 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 :: 7.782 HA :: 3.789 HB2 :: 2.246 HB3 :: 1.811 HG2 :: 2.500 HG3 :: 2.229 HE21 :: 6.955 HE22 :: 7.530 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 :: 121.491 NE2 :: 114.306 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.L90 1.L90 C Shift Assignments>> C :: 175.145 CA :: 67.896 CB :: 68.731 CG2 :: 23.169 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 :: 7.868 HA :: 3.855 HB :: 4.184 HG21 :: 1.337 HG22 :: 1.337 HG23 :: 1.337 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.912 Ave N Shift Values>> N :: 115.42(4.75) 1.M112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.32 Q 0.16 E 0.03 C Shift Assignments>> C :: 177.850 CA :: 56.917 CB :: 32.500 CG :: 33.508 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 :: 7.839 HA :: 4.550 HB2 :: 2.115 HB3 :: 1.969 HG2 :: 2.875 HG3 :: 2.875 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.923 Ave N Shift Values>> N :: 120.09(3.57) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 R 0.03 C Shift Assignments>> C :: 177.996 CA :: 58.214 CB :: 41.761 CG :: 26.774 CD1 :: 25.536 CD2 :: 24.039 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 :: 8.053 HA :: 3.793 HB2 :: 1.999 HB3 :: 1.227 HG :: 1.605 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.667 HD22 :: 0.667 HD23 :: 0.667 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 :: 122.012 Ave N Shift Values>> N :: 121.86(3.9) 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.21 Y 0.16 F 0.11 N 0.11 M 0.06 I 0.03 D 0.02 K 0.01 C Shift Assignments>> C :: 179.311 CA :: 56.013 CB :: 37.189 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 :: 8.584 HA :: 4.430 HB2 :: 3.379 HB3 :: 2.916 HD21 :: 7.207 HD22 :: 7.964 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 :: 119.148 ND2 :: 109.103 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.31 R 0.04 C Shift Assignments>> C :: 178.039 CA :: 59.151 CB :: 41.152 CG :: 28.103 CD1 :: 25.935 CD2 :: 24.923 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 :: 8.552 HA :: 4.151 HB2 :: 2.349 HB3 :: 1.632 HG :: 1.522 HD11 :: 1.002 HD12 :: 1.002 HD13 :: 1.002 HD21 :: 1.072 HD22 :: 1.072 HD23 :: 1.072 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.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.24 I 0.07 C 0.03 C Shift Assignments>> C :: 179.309 CA :: 55.945 CB :: 18.013 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.106 HA :: 4.077 HB1 :: 1.256 HB2 :: 1.256 HB3 :: 1.256 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.862 Ave N Shift Values>> N :: 123.23(3.54) 1.M117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.26 Q 0.05 C Shift Assignments>> C :: 178.772 CA :: 59.730 CB :: 33.003 CG :: 32.998 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 :: 8.995 HA :: 4.212 HB2 :: 2.946 HB3 :: 2.684 HG2 :: 2.374 HG3 :: 2.184 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 :: 117.316 Ave N Shift Values>> N :: 120.09(3.57) 1.C118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 Y 0.25 F 0.21 C 0.18 E 0.01 HN Overlap>> 1.Q110 1.Q110 C Shift Assignments>> C :: 175.008 CA :: 60.175 CB :: 38.651 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.763 HA :: 4.414 HB2 :: 3.323 HB3 :: 3.250 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 :: 121.433 Ave N Shift Values>> N :: 120.17(4.64) 1.F119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.23 C Shift Assignments>> C :: 176.283 CA :: 61.650 CB :: 40.884 CD1 :: 131.372 CD2 :: 131.372 CE1 :: 131.989 CE2 :: 131.989 CZ :: 130.098 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 :: 9.005 HA :: 4.055 HB2 :: 3.423 HB3 :: 3.054 HD1 :: 7.148 HD2 :: 7.148 HE1 :: 7.361 HE2 :: 7.361 HZ :: 7.237 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 :: 122.588 Ave N Shift Values>> N :: 120.45(4.18) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.4 R 0.08 C Shift Assignments>> C :: 178.120 CA :: 60.392 CB :: 33.252 CG :: 25.274 CD :: 29.837 CE :: 41.964 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 :: 8.960 HA :: 3.883 HB2 :: 2.032 HB3 :: 1.945 HG2 :: 1.505 HG3 :: 1.277 HD2 :: 1.234 HD3 :: 1.091 HE2 :: 2.577 HE3 :: 2.527 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 :: 117.745 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.03 C 0.03 C Shift Assignments>> C :: 181.434 CA :: 55.267 CB :: 18.325 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.860 HA :: 4.113 HB1 :: 1.564 HB2 :: 1.564 HB3 :: 1.564 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.614 Ave N Shift Values>> N :: 123.23(3.54) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 Q 0.11 K 0.09 M 0.06 I 0.04 C Shift Assignments>> C :: 181.133 CA :: 58.794 CB :: 30.132 CG :: 35.410 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 :: 8.480 HA :: 4.042 HB2 :: 2.053 HB3 :: 1.966 HG2 :: 2.631 HG3 :: 2.456 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 :: 116.884 Ave N Shift Values>> N :: 120.67(3.48) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 178.047 CA :: 64.917 CB :: 37.377 CG1 :: 26.989 CG2 :: 17.136 CD1 :: 13.424 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 :: 8.346 HA :: 3.700 HB :: 1.633 HG12 :: 1.127 HG13 :: 1.107 HG21 :: 0.360 HG22 :: 0.360 HG23 :: 0.360 HD11 :: 0.273 HD12 :: 0.273 HD13 :: 0.273 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 :: 117.182 Ave N Shift Values>> N :: 121.46(4.28) 1.H124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 H 0.32 C 0.3 HN Overlap>> 1.L139 1.L139 C Shift Assignments>> C :: 174.716 CA :: 57.787 CB :: 28.421 CD2 :: 120.243 CE1 :: 136.322 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.331 HA :: 4.393 HB2 :: 3.431 HB3 :: 3.258 HD2 :: 7.402 HE1 :: 8.583 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.050 ND1 :: 176.767 NE2 :: 175.808 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.39 R 0.17 G 0.01 C Shift Assignments>> C :: 176.672 CA :: 56.854 CB :: 33.157 CG :: 25.184 CD :: 29.788 CE :: 42.349 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 :: 7.208 HA :: 4.278 HB2 :: 2.039 HB3 :: 1.796 HG2 :: 1.601 HG3 :: 1.418 HD2 :: 1.646 HD3 :: 1.484 HE2 :: 2.861 HE3 :: 2.861 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 :: 116.638 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.21 A 0.1 G 0.05 R 0.02 C Shift Assignments>> C :: 177.117 CA :: 54.631 CB :: 42.983 CG :: 26.199 CD1 :: 25.043 CD2 :: 22.317 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 :: 6.936 HA :: 4.268 HB2 :: 1.606 HB3 :: 0.921 HG :: 1.636 HD11 :: 0.334 HD12 :: 0.334 HD13 :: 0.334 HD21 :: 0.775 HD22 :: 0.775 HD23 :: 0.775 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 :: 118.671 Ave N Shift Values>> N :: 121.86(3.9) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 N 0.22 F 0.14 Y 0.13 L 0.12 C 0.09 I 0.01 C Shift Assignments>> C :: 175.008 CA :: 54.733 CB :: 39.765 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 :: 8.662 HA :: 4.512 HB2 :: 2.832 HB3 :: 2.772 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.786 Ave N Shift Values>> N :: 120.65(3.86) 1.W128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.65 C 0.34 C Shift Assignments>> C :: 173.612 CA :: 54.586 CB :: 29.518 CD1 :: 127.755 CE3 :: 121.145 CZ2 :: 114.769 CZ3 :: 121.570 CH2 :: 123.757 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.289 HA :: 4.732 HB2 :: 3.350 HB3 :: 3.149 HD1 :: 7.381 HE1 :: 10.334 HE3 :: 7.413 HZ2 :: 7.434 HZ3 :: 7.013 HH2 :: 6.992 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 117.301 NE1 :: 130.672 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.02 C 0.01 G 0.01 HN Overlap>> 1.V51 1.V51 C Shift Assignments>> C :: 174.469 CA :: 49.450 CB :: 19.276 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.176 HA :: 4.579 HB1 :: 1.215 HB2 :: 1.215 HB3 :: 1.215 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.193 Ave N Shift Values>> N :: 123.23(3.54) 1.P130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 176.816 CA :: 61.970 CB :: 31.579 CG :: 26.591 CD :: 50.002 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 :: 4.705 HB2 :: 2.103 HB3 :: 1.781 HG2 :: 1.547 HG3 :: 1.173 HD2 :: 3.345 HD3 :: 2.862 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.T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 176.145 CA :: 61.536 CB :: 69.722 CG2 :: 22.727 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 :: 8.315 HA :: 4.372 HB :: 4.750 HG21 :: 1.483 HG22 :: 1.483 HG23 :: 1.483 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.321 Ave N Shift Values>> N :: 115.42(4.75) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.41 R 0.02 C Shift Assignments>> C :: 178.449 CA :: 58.155 CB :: 41.948 CG :: 27.146 CD1 :: 24.785 CD2 :: 24.132 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 :: 8.675 HA :: 3.942 HB2 :: 1.707 HB3 :: 1.350 HG :: 1.576 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.050 Ave N Shift Values>> N :: 121.86(3.9) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.12 L 0.1 D 0.08 I 0.07 K 0.05 N 0.01 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> C :: 178.452 CA :: 57.753 CB :: 40.394 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 :: 8.568 HA :: 4.267 HB2 :: 2.602 HB3 :: 2.472 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.551 Ave N Shift Values>> N :: 120.65(3.86) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> CA :: 66.654 CB :: 31.827 CG1 :: 24.627 CG2 :: 21.850 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 :: 7.176 HA :: 3.815 HB :: 2.176 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 0.969 HG22 :: 0.969 HG23 :: 0.969 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.124 Ave N Shift Values>> N :: 121.14(4.54) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.57 A 0.27 I 0.08 C 0.04 V 0.01 C Shift Assignments>> C :: 178.346 CA :: 56.123 CB :: 18.511 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.077 HB1 :: 1.259 HB2 :: 1.259 HB3 :: 1.259 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.V136 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 178.283 CA :: 66.291 CB :: 30.970 CG1 :: 21.725 CG2 :: 21.111 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 :: 8.669 HA :: 3.180 HB :: 1.800 HG11 :: -0.182(S) HG12 :: -0.182(S) HG13 :: -0.182(S) HG21 :: 0.596 HG22 :: 0.596 HG23 :: 0.596 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.340 Ave N Shift Values>> N :: 121.14(4.54) 1.G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 P 0.18 C 0.1 A 0.09 N 0.03 L 0.02 C Shift Assignments>> C :: 175.116 CA :: 47.970 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.982 HA2 :: 3.614 HA3 :: 3.277 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.529 Ave N Shift Values>> N :: 109.67(3.87) 1.E138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.48 C 0.37 E 0.09 K 0.02 Q 0.01 C Shift Assignments>> C :: 177.117 CA :: 62.174 CB :: 28.634 CG :: 35.944 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 :: 8.347 HA :: 3.887 HB2 :: 2.264 HB3 :: 2.077 HG2 :: 3.101(S) HG3 :: 2.448 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 :: 117.927 Ave N Shift Values>> N :: 120.67(3.48) 1.L139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.46 R 0.01 HN Overlap>> 1.H124 1.H124 C Shift Assignments>> C :: 178.789 CA :: 59.107 CB :: 41.091 CG :: 26.658 CD1 :: 25.762 CD2 :: 22.764 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 :: 7.376 HA :: 3.391 HB2 :: 1.892 HB3 :: 1.004 HG :: 1.173 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 HD21 :: 0.214 HD22 :: 0.214 HD23 :: 0.214 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.955 Ave N Shift Values>> N :: 121.86(3.9) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.37 R 0.19 G 0.03 HN Overlap>> 1.M78 1.M78 1.M16 1.M16 C Shift Assignments>> C :: 179.452 CA :: 57.712 CB :: 42.783 CG :: 26.731 CD1 :: 26.991 CD2 :: 23.780 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 :: 8.363 HA :: 3.848 HB2 :: 1.863 HB3 :: 1.207 HG :: 1.990 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 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 :: 116.229 Ave N Shift Values>> N :: 121.86(3.9) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.47 I 0.01 C 0.01 C Shift Assignments>> C :: 177.430 CA :: 54.345 CB :: 17.785 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.491 HA :: 3.953 HB1 :: 1.259 HB2 :: 1.259 HB3 :: 1.259 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.797 Ave N Shift Values>> N :: 123.23(3.54) 1.D142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.32 R 0.15 D 0.07 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.815 CA :: 53.807 CB :: 44.304 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 :: 7.488 HA :: 4.923 HB2 :: 2.385 HB3 :: 2.251 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.276 Ave N Shift Values>> N :: 120.65(3.86) 1.T143 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 :: 178.982 CA :: 65.995 CB :: 70.420 CG2 :: 21.830 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 :: 7.200 HA :: 4.124 HB :: 4.116 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 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 :: 122.379 Ave N Shift Values>> N :: 115.42(4.75) ########################################################################### Overall Results: #Consistent: 139 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 138 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 143 #Suspicious: 0 C Shift Results: #Consistent: 610 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 971 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 0 N Shift Results: #Consistent: 156 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F36 HD1 = 5.653(S), Expected = 7.06, Std = 0.3100, ChiSquare = 5.6599e-06 1.F36 HD2 = 5.653(S), Expected = 7.06, Std = 0.3100, ChiSquare = 5.6599e-06 1.L55 HD21 = -0.326(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.7118e-04 1.L55 HD22 = -0.326(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.7118e-04 1.L55 HD23 = -0.326(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.7118e-04 1.V136 HG11 = -0.182(S), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9295e-05 1.V136 HG12 = -0.182(S), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9295e-05 1.V136 HG13 = -0.182(S), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9295e-05 1.E138 HG2 = 3.101(S), Expected = 2.27, Std = 0.2100, ChiSquare = 7.5852e-05