Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.47 C 0.32 Q 0.16 K 0.02 E 0.01 C Shift Assignments>> CA :: 55.429 CB :: 32.851 CG :: 31.938 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.467 HB2 :: 2.115 HB3 :: 2.112 HG2 :: 2.560 HG3 :: 2.560 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.091 CB :: 69.910 CG2 :: 21.749 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 :: 8.033 HA :: 4.256 HB :: 4.258 HG21 :: 1.225 HG22 :: 1.225 HG23 :: 1.225 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 :: 114.246 Ave N Shift Values>> N :: 115.42(4.75) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.27 C 0.22 R 0.06 M 0.06 E 0.02 C Shift Assignments>> CA :: 53.1900 CB :: 28.8300 CG :: 33.557 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 :: 8.280 HA :: 4.795 HB2 :: 2.213 HB3 :: 2.286 HG2 :: 2.447 HG3 :: 2.447 HE21 :: 6.870 HE22 :: 7.338 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 :: 120.353 NE2 :: 112.360 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.595 CA :: 64.124 CB :: 33.089 CG :: 27.909 CD :: 50.907 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 :: 4.506 HB2 :: 2.375 HB3 :: 1.925 HG2 :: 2.226 HG3 :: 2.231 HD2 :: 3.729 HD3 :: 3.729 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.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.17 A 0.16 G 0.01 C Shift Assignments>> C :: 174.854 CA :: 52.842 CB :: 42.101 CG :: 26.622 CD1 :: 22.960 CD2 :: 22.574 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 :: 8.199 HA :: 4.548 HB2 :: 1.611 HB3 :: 1.405 HG :: 1.652 HD11 :: 0.818 HD12 :: 0.818 HD13 :: 0.818 HD21 :: 0.615 HD22 :: 0.615 HD23 :: 0.615 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 :: 115.137 Ave N Shift Values>> N :: 121.86(3.9) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 177.239 CA :: 63.507 CB :: 31.954 CG1 :: 20.474 CG2 :: 22.290 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 :: 6.971 HA :: 3.923 HB :: 2.104 HG11 :: 1.029 HG12 :: 1.029 HG13 :: 1.029 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 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 :: 118.756 Ave N Shift Values>> N :: 121.14(4.54) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.622 CA :: 44.832 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.770 HA2 :: 4.299 HA3 :: 3.725 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.9700 Ave N Shift Values>> N :: 109.67(3.87) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.33 A 0.2 K 0.05 G 0.01 C Shift Assignments>> C :: 175.655 CA :: 53.176 CB :: 32.780 CG :: 22.492 CD :: 26.825 CE :: 42.100 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.058 HA :: 4.816 HB2 :: 2.137 HB3 :: 2.137 HG2 :: 1.356 HG3 :: 1.328 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 3.000 HE3 :: 3.000 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 :: 119.254 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.25 Q 0.22 E 0.09 K 0.03 C Shift Assignments>> C :: 175.192 CA :: 54.445 CB :: 31.354 CG :: 34.300 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 :: 10.018 HA :: 5.178 HB2 :: 2.037 HB3 :: 2.050 HG2 :: 2.524 HG3 :: 2.521 HE21 :: 7.301 HE22 :: 6.625 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.614 NE2 :: 110.000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 I 0.23 A 0.02 C Shift Assignments>> C :: 174.266 CA :: 57.1900 CB :: 39.564 CG1 :: 26.723 CG2 :: 15.500 CD1 :: 11.080 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 :: 8.990 HA :: 4.790 HB :: 1.518 HG12 :: 1.250 HG13 :: 0.756 HG21 :: -0.073 HG22 :: -0.073 HG23 :: -0.073 HD11 :: 0.440 HD12 :: 0.440 HD13 :: 0.440 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 :: 126.277 Ave N Shift Values>> N :: 121.46(4.28) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.21 C 0.12 A 0.04 C Shift Assignments>> C :: 173.909 CA :: 52.776 CB :: 45.172 CG :: 27.834 CD1 :: 23.340 CD2 :: 23.340 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 :: 8.185 HA :: 5.362 HB2 :: 1.841 HB3 :: 1.333 HG :: 1.485 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.1700 Ave N Shift Values>> N :: 121.86(3.9) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 HN Overlap>> 1.V84 1.V84 C Shift Assignments>> CA :: 60.386 CB :: 40.299 CG1 :: 27.823 CG2 :: 18.000 CD1 :: 13.800 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.070 HA :: 4.517 HB :: 1.837 HG12 :: 1.483 HG13 :: 1.490 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 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 :: 129.174 Ave N Shift Values>> N :: 121.46(4.28) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> CA :: 60.386 CB :: 31.496 CG1 :: 20.330 CG2 :: 20.330 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 :: 8.912 HA :: 4.760 HB :: 2.289 HG11 :: 0.770 HG12 :: 0.770 HG13 :: 0.770 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 0.770 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 :: 129.019 Ave N Shift Values>> N :: 121.14(4.54) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.35 E 0.22 Q 0.03 HN Overlap>> 1.I85 1.I85 C Shift Assignments>> CA :: 55.193 CB :: 32.476 CG :: 35.837 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 :: 8.400 HA :: 4.057 HB2 :: 1.878 HB3 :: 1.878 HG2 :: 2.273 HG3 :: 2.273 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 :: 125.5700 Ave N Shift Values>> N :: 120.67(3.48) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.25 K 0.15 F 0.08 Y 0.06 N 0.06 C 0.05 R 0.04 HN Overlap>> 1.Q79 1.Q79 C Shift Assignments>> CA :: 54.479 CB :: 41.6300 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 :: 8.278 HA :: 4.550 HB2 :: 2.704 HB3 :: 2.704 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 :: 120.7700 Ave N Shift Values>> N :: 120.65(3.86) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.42 Q 0.11 E 0.03 C Shift Assignments>> CA :: 56.514 CB :: 32.927 CG :: 33.800 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 :: 8.133 HA :: 4.230 HB2 :: 1.899 HB3 :: 1.899 HG2 :: 2.300 HG3 :: 2.305 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 :: 120.6700 Ave N Shift Values>> N :: 120.67(3.48) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.23 R 0.08 M 0.04 E 0.03 HN Overlap>> 1.L47 1.L47 C Shift Assignments>> CA :: 55.646 CB :: 28.633 CG :: 33.494 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 :: 8.188 HA :: 4.799 HB2 :: 1.861 HB3 :: 1.846 HG2 :: 2.431 HG3 :: 2.305 HE21 :: 6.840 HE22 :: 7.342 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 :: 119.227 NE2 :: 112.500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> CA :: 66.2900 CB :: 31.228 CG1 :: 21.145 CG2 :: 21.110 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 :: 8.460 HA :: 4.093 HB :: 2.066 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.1700 Ave N Shift Values>> N :: 121.14(4.54) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 177.042 CA :: 59.709 CB :: 39.407 CD1 :: 131.500 CD2 :: 131.500 CE1 :: 130.900 CE2 :: 130.900 CZ :: 128.300 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.199 HA :: 4.650 HB2 :: 2.896 HB3 :: 2.897 HD1 :: 7.423 HD2 :: 7.430 HE1 :: 7.273 HE2 :: 7.268 HZ :: 7.004 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 :: 122.296 Ave N Shift Values>> N :: 120.45(4.18) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.39 G 0.06 K 0.05 C Shift Assignments>> C :: 177.719 CA :: 60.319 CB :: 30.886 CG :: 27.500 CD :: 43.200 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 :: 8.654 HA :: 4.071 HB2 :: 2.036 HB3 :: 2.037 HG2 :: 1.703 HG3 :: 1.705 HD2 :: 3.249 HD3 :: 3.253 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 :: 119.3700 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.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.668 CA :: 61.187 CB :: 63.329 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.257 HA :: 4.380 HB2 :: 4.079 HB3 :: 4.066 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.650 Ave N Shift Values>> N :: 116.28(3.52) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.41 R 0.01 G 0.01 C Shift Assignments>> C :: 179.374 CA :: 58.250 CB :: 42.301 CG :: 27.000 CD1 :: 24.340 CD2 :: 24.453 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 :: 7.937 HA :: 4.131 HB2 :: 1.867 HB3 :: 1.867 HG :: 1.580 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.910 HD22 :: 0.910 HD23 :: 0.910 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.186 Ave N Shift Values>> N :: 121.86(3.9) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.43 G 0.07 HN Overlap>> 1.L113 1.L113 C Shift Assignments>> C :: 179.357 CA :: 57.504 CB :: 43.169 CG :: 26.659 CD1 :: 22.692 CD2 :: 22.692 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 :: 8.159 HA :: 3.992 HB2 :: 1.306 HB3 :: 1.306 HG :: 0.537 HD11 :: 0.572 HD12 :: 0.572 HD13 :: 0.572 HD21 :: 0.576 HD22 :: 0.576 HD23 :: 0.576 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 :: 118.853 Ave N Shift Values>> N :: 121.86(3.9) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.21 F 0.11 K 0.1 C 0.07 Y 0.07 D 0.04 G 0.03 HN Overlap>> 1.L69 1.N114 1.L69 1.N114 C Shift Assignments>> C :: 179.00 CA :: 57.602 CB :: 43.171 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 :: 8.650 HA :: 4.378 HB2 :: 2.991 HB3 :: 2.850 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 :: 119.1700 Ave N Shift Values>> N :: 120.65(3.86) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.847 CA :: 61.253 CB :: 63.462 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.548 HA :: 4.371 HB2 :: 4.109 HB3 :: 4.109 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 :: 115.597 Ave N Shift Values>> N :: 116.28(3.52) 1.W26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 W 0.44 C Shift Assignments>> C :: 179.215 CA :: 62.055 CB :: 28.884 CD1 :: 126.600 CE3 :: 119.400 CZ2 :: 113.000 CZ3 :: 119.800 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 :: 8.637 HA :: 4.165 HB2 :: 3.225 HB3 :: 3.227 HD1 :: 7.123 HE1 :: 10.034 HE3 :: 6.226 HZ2 :: 6.981 HZ3 :: 6.264 HH2 :: 6.499 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 :: 124.879 NE1 :: 128.900 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 179.215 CA :: 63.123 CB :: 39.297 CD1 :: 132.600 CD2 :: 132.600 CE1 :: 130.400 CE2 :: 130.400 CZ :: 128.700 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.952 HA :: 3.728 HB2 :: 3.057 HB3 :: 2.662 HD1 :: 7.352 HD2 :: 7.358 HE1 :: 7.150 HE2 :: 7.150 HZ :: 7.094 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 :: 116.704 Ave N Shift Values>> N :: 120.45(4.18) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.00 CA :: 62.055 CB :: 62.728 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.806 HA :: 4.109 HB2 :: 4.109 HB3 :: 4.111 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 :: 115.811 Ave N Shift Values>> N :: 116.28(3.52) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.049 CA :: 60.986 CB :: 63.195 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.286 HA :: 4.318 HB2 :: 4.051 HB3 :: 3.983 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.137 Ave N Shift Values>> N :: 116.28(3.52) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.24 A 0.07 G 0.04 R 0.02 C Shift Assignments>> C :: 176.082 CA :: 54.449 CB :: 42.791 CG :: 26.827 CD1 :: 22.700 CD2 :: 24.530 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.900 HA :: 4.450 HB2 :: 1.575 HB3 :: 1.569 HG :: 0.820 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 HD21 :: -0.136 HD22 :: -0.136 HD23 :: -0.136 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.358 Ave N Shift Values>> N :: 121.86(3.9) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.26 R 0.16 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.340 CA :: 44.365 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.872 HA2 :: 4.126 HA3 :: 3.684 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.135 Ave N Shift Values>> N :: 109.67(3.87) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 L 0.03 C 0.03 M 0.02 C Shift Assignments>> C :: 177.150 CA :: 51.641 CB :: 20.473 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.394 HA :: 4.535 HB1 :: 1.251 HB2 :: 1.251 HB3 :: 1.251 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.760 Ave N Shift Values>> N :: 123.23(3.54) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.714 CA :: 61.854 CB :: 70.938 CG2 :: 20.990 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.791 HA :: 4.493 HB :: 4.094 HG21 :: 1.250 HG22 :: 1.250 HG23 :: 1.250 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 :: 118.001 Ave N Shift Values>> N :: 115.42(4.75) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 T 0.29 C Shift Assignments>> C :: 173.714 CA :: 58.717 CB :: 70.839 CG2 :: 23.542 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 :: 8.600 HA :: 5.120 HB :: 3.951 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.577 Ave N Shift Values>> N :: 115.42(4.75) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 173.821 CA :: 61.320 CB :: 34.958 CG1 :: 20.418 CG2 :: 21.700 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 :: 8.619 HA :: 4.094 HB :: 1.605 HG11 :: 0.326 HG12 :: 0.326 HG13 :: 0.326 HG21 :: 0.702 HG22 :: 0.702 HG23 :: 0.702 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.776 Ave N Shift Values>> N :: 121.14(4.54) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.15 G 0.15 A 0.01 R 0.01 C Shift Assignments>> C :: 175.655 CA :: 53.083 CB :: 43.616 CG :: 27.220 CD1 :: 24.219 CD2 :: 24.217 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 :: 8.568 HA :: 5.092 HB2 :: 1.813 HB3 :: 1.829 HG :: 1.645 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.823 HD22 :: 0.823 HD23 :: 0.823 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.977 Ave N Shift Values>> N :: 121.86(3.9) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 A 0.3 C 0.19 K 0.03 P 0.01 HN Overlap>> 1.V110 1.V110 C Shift Assignments>> C :: 175.832 CA :: 50.172 CB :: 23.210 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.800 HA :: 4.706 HB1 :: 1.402 HB2 :: 1.402 HB3 :: 1.402 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2700 Ave N Shift Values>> N :: 123.23(3.54) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.03 L 0.03 C 0.03 C Shift Assignments>> CA :: 52.234 CB :: 20.3300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.367 HA :: 4.389 HB1 :: 1.472 HB2 :: 1.472 HB3 :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.552 Ave N Shift Values>> N :: 123.23(3.54) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.22 R 0.18 G 0.07 K 0.05 C 0.04 F 0.03 N 0.02 Y 0.01 C Shift Assignments>> CA :: 52.669 CB :: 43.046 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 :: 7.371 HA :: 4.546 HB2 :: 2.320 HB3 :: 2.684 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 :: 109.6700 Ave N Shift Values>> N :: 120.65(3.86) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.09 P 0.04 L 0.04 A 0.03 N 0.01 HN Overlap>> 1.G77 1.G77 C Shift Assignments>> C :: 174.497 CA :: 47.569 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.733 HA2 :: 3.694 HA3 :: 3.698 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.403 Ave N Shift Values>> N :: 109.67(3.87) 1.V41 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>> CA :: 65.971 CB :: 31.694 CG1 :: 21.519 CG2 :: 23.667 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 :: 8.124 HA :: 3.650 HB :: 2.183 HG11 :: 0.981 HG12 :: 0.981 HG13 :: 0.981 HG21 :: 0.981 HG22 :: 0.981 HG23 :: 0.981 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 :: 122.9700 Ave N Shift Values>> N :: 121.14(4.54) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.2 F 0.15 D 0.13 Y 0.11 C 0.06 R 0.05 I 0.01 N 0.01 C Shift Assignments>> CA :: 56.647 CB :: 41.634 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 :: 8.270 HA :: 4.454 HB2 :: 2.789 HB3 :: 2.795 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 :: 121.757 Ave N Shift Values>> N :: 120.65(3.86) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.17 C 0.07 L 0.06 V 0.02 HN Overlap>> 1.K108 1.K108 C Shift Assignments>> C :: 178.039 CA :: 54.912 CB :: 20.005 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.054 HA :: 3.871 HB1 :: 1.470 HB2 :: 1.470 HB3 :: 1.470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.441 Ave N Shift Values>> N :: 123.23(3.54) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.38 C Shift Assignments>> C :: 179.749 CA :: 57.649 CB :: 41.701 CG :: 26.400 CD1 :: 24.200 CD2 :: 24.200 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 :: 7.892 HA :: 3.880 HB2 :: 1.604 HB3 :: 1.609 HG :: 1.631 HD11 :: 0.579 HD12 :: 0.579 HD13 :: 0.579 HD21 :: 0.572 HD22 :: 0.572 HD23 :: 0.572 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.331 Ave N Shift Values>> N :: 121.86(3.9) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.09 K 0.07 Q 0.05 M 0.03 C Shift Assignments>> C :: 180.372 CA :: 58.651 CB :: 29.751 CG :: 36.137 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 :: 7.565 HA :: 4.082 HB2 :: 2.206 HB3 :: 2.206 HG2 :: 2.410 HG3 :: 2.415 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 :: 119.132 Ave N Shift Values>> N :: 120.67(3.48) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.35 R 0.1 G 0.02 C Shift Assignments>> CA :: 57.023 CB :: 42.541 CG :: 26.867 CD1 :: 25.700 CD2 :: 25.741 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.087 HA :: 4.154 HB2 :: 1.860 HB3 :: 1.876 HG :: 1.624 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 HD21 :: 0.801 HD22 :: 0.801 HD23 :: 0.801 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 :: 121.606 Ave N Shift Values>> N :: 121.86(3.9) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.3 R 0.03 G 0.01 HN Overlap>> 1.Q17 1.Q17 C Shift Assignments>> C :: 177.737 CA :: 55.859 CB :: 42.301 CG :: 26.564 CD1 :: 24.100 CD2 :: 25.018 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 :: 8.206 HA :: 4.566 HB2 :: 1.844 HB3 :: 1.615 HG :: 1.861 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 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 :: 119.225 Ave N Shift Values>> N :: 121.86(3.9) 1.G48 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 :: 175.014 CA :: 46.10 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.727 HA2 :: 4.100 HA3 :: 3.955 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.383 Ave N Shift Values>> N :: 109.67(3.87) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.394 CA :: 44.632 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.901 HA2 :: 4.550 HA3 :: 3.862 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.950 Ave N Shift Values>> N :: 109.67(3.87) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.23 HN Overlap>> 1.I94 1.I94 C Shift Assignments>> C :: 172.148 CA :: 55.713 CB :: 40.899 CD1 :: 132.300 CD2 :: 132.300 CE1 :: 129.800 CE2 :: 129.800 CZ :: 128.700 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 :: 7.757 HA :: 4.912 HB2 :: 3.199 HB3 :: 3.095 HD1 :: 7.206 HD2 :: 7.206 HE1 :: 6.952 HE2 :: 6.959 HZ :: 6.905 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.530 Ave N Shift Values>> N :: 120.45(4.18) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.6 C 0.33 A 0.05 HN Overlap>> 1.H72 1.H72 C Shift Assignments>> C :: 172.166 CA :: 57.649 CB :: 70.671 CG2 :: 21.417 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 :: 8.244 HA :: 4.537 HB :: 3.890 HG21 :: 1.132 HG22 :: 1.132 HG23 :: 1.132 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 :: 118.610 Ave N Shift Values>> N :: 115.42(4.75) 1.P52 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.57 G 0.25 R 0.14 K 0.02 C Shift Assignments>> C :: 174.764 CA :: 61.120 CB :: 31.955 CG :: 25.800 CD :: 44.000(S) 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 :: 4.091 HB2 :: 1.891 HB3 :: 1.924 HG2 :: 2.034 HG3 :: 2.033 HD2 :: 3.052 HD3 :: 3.054 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.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.29 D 0.08 F 0.06 K 0.05 C 0.05 G 0.05 Y 0.04 C Shift Assignments>> C :: 174.764 CA :: 56.113 CB :: 43.436 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 :: 9.250 HA :: 4.578 HB2 :: 2.324 HB3 :: 2.668 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 :: 118.082 Ave N Shift Values>> N :: 120.65(3.86) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.29 C 0.27 A 0.03 C Shift Assignments>> CA :: 54.378 CB :: 46.306 CG :: 27.200 CD1 :: 23.740 CD2 :: 23.441 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 :: 7.170 HA :: 4.578 HB2 :: 1.407 HB3 :: 1.703 HG :: 0.910 HD11 :: 0.964 HD12 :: 0.964 HD13 :: 0.964 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.613 Ave N Shift Values>> N :: 121.86(3.9) 1.M55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 M 0.22 E 0.15 C Shift Assignments>> C :: 175.191 CA :: 53.310 CB :: 37.628 CG :: 31.997 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 :: 8.572 HA :: 5.590 HB2 :: 1.739 HB3 :: 1.739 HG2 :: 2.320 HG3 :: 2.193 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 125.542 Ave N Shift Values>> N :: 120.09(3.57) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.46 A 0.01 C Shift Assignments>> C :: 174.621 CA :: 58.273 CB :: 40.107 CG1 :: 27.709 CG2 :: 17.109 CD1 :: 14.081 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.036 HA :: 5.398 HB :: 1.732 HG12 :: 1.450 HG13 :: 1.452 HG21 :: 0.912 HG22 :: 0.912 HG23 :: 0.912 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 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 :: 126.4700 Ave N Shift Values>> N :: 121.46(4.28) 1.C57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 M 0.13 C 0.12 W 0.11 E 0.1 Q 0.09 K 0.09 C Shift Assignments>> C :: 173.749 CA :: 55.464 CB :: 31.033 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.690 HA :: 4.790 HB2 :: 2.431 HB3 :: 2.431 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 :: 122.379 Ave N Shift Values>> N :: 120.17(4.64) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.25 D 0.13 K 0.1 F 0.06 C 0.04 Y 0.04 G 0.02 C Shift Assignments>> CA :: 55.283 CB :: 42.942 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 :: 9.044 HA :: 4.726 HB2 :: 2.985 HB3 :: 2.811 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 :: 128.295 Ave N Shift Values>> N :: 120.65(3.86) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.36 A 0.13 C Shift Assignments>> CA :: 56.366 CB :: 38.250 CG2 :: 17.056 CD1 :: 12.792 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 :: 8.640 HA :: 4.426 HB :: 2.052 HG21 :: 0.358 HG22 :: 0.358 HG23 :: 0.358 HD11 :: 0.350 HD12 :: 0.350 HD13 :: 0.350 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.610 Ave N Shift Values>> N :: 121.46(4.28) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.28 C 0.02 C Shift Assignments>> CA :: 53.850 CB :: 18.583 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.659 HA :: 4.388 HB1 :: 1.624 HB2 :: 1.624 HB3 :: 1.624 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9700 Ave N Shift Values>> N :: 123.23(3.54) 1.M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.24 Q 0.19 R 0.03 E 0.03 I 0.03 M 0.02 P 0.01 HN Overlap>> 1.C123 1.C123 C Shift Assignments>> CA :: 60.30 CB :: 29.026 CG :: 33.502 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 :: 7.496 HA :: 4.331 HB2 :: 1.656 HB3 :: 1.656 HG2 :: 2.503 HG3 :: 2.431 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 :: 112.728 Ave N Shift Values>> N :: 120.09(3.57) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 K 0.28 R 0.17 L 0.01 C Shift Assignments>> CA :: 60.093 CB :: 29.319 CG :: 25.800 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 :: 4.805 HB2 :: 1.926 HB3 :: 1.926 HG2 :: 1.973 HG3 :: 1.972 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.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.41 R 0.09 L 0.01 C Shift Assignments>> CA :: 56.839 CB :: 30.363 CG :: 24.600 CD :: 42.100 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 :: 8.975 HA :: 4.136 HB2 :: 1.863 HB3 :: 1.861 HG2 :: 1.467 HG3 :: 1.412 HD2 :: 3.009 HD3 :: 3.005 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.420 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.M64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.17 C 0.15 Q 0.12 R 0.1 H 0.09 W 0.06 E 0.04 V 0.01 C Shift Assignments>> CA :: 55.326 CB :: 32.716 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 :: 7.200 HA :: 4.499 HB2 :: 1.910 HB3 :: 1.910 HG2 :: 2.336 HG3 :: 2.336 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 :: 119.315 Ave N Shift Values>> N :: 120.09(3.57) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.16 C 0.1 Y 0.09 F 0.09 L 0.04 M 0.01 E 0.01 C Shift Assignments>> CA :: 53.771 CB :: 38.701 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.767 HB2 :: 2.748 HB3 :: 2.794 HD21 :: 6.872 HD22 :: 7.544 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 112.000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.4900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.528 HA2 :: 4.523 HA3 :: 3.862 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.007 Ave N Shift Values>> N :: 109.67(3.87) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.25 C Shift Assignments>> CA :: 54.679 CB :: 41.845 CG :: 26.802 CD1 :: 24.365 CD2 :: 24.387 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 :: 7.988 HA :: 4.550 HB2 :: 1.394 HB3 :: 1.387 HG :: 1.579 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 HD21 :: 0.900 HD22 :: 0.900 HD23 :: 0.900 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 :: 122.124 Ave N Shift Values>> N :: 121.86(3.9) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.15 H 0.15 W 0.15 Q 0.14 R 0.14 C 0.13 M 0.05 K 0.03 I 0.01 C Shift Assignments>> CA :: 56.918 CB :: 29.813 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 :: 8.980 HA :: 4.362 HB2 :: 1.989 HB3 :: 1.988 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 :: 124.3700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.35 G 0.05 HN Overlap>> 1.D24 1.D24 C Shift Assignments>> CA :: 57.349 CB :: 43.106 CG :: 26.598 CD1 :: 24.031 CD2 :: 24.031 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.620 HA :: 4.057 HB2 :: 1.642 HB3 :: 1.640 HG :: 1.642 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.848 HD22 :: 0.848 HD23 :: 0.848 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 :: 119.074 Ave N Shift Values>> N :: 121.86(3.9) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.38 G 0.04 C Shift Assignments>> C :: 177.951 CA :: 57.315 CB :: 42.942 CG :: 26.840 CD1 :: 23.400 CD2 :: 23.400 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 :: 7.884 HA :: 4.062 HB2 :: 1.655 HB3 :: 1.846 HG :: 1.626 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.0700 Ave N Shift Values>> N :: 121.86(3.9) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.36 I 0.1 M 0.05 K 0.02 Q 0.01 C Shift Assignments>> C :: 178.182 CA :: 59.329 CB :: 30.552 CG :: 36.700 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 :: 8.472 HA :: 3.819 HB2 :: 2.099 HB3 :: 2.099 HG2 :: 2.365 HG3 :: 2.232 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 :: 118.763 Ave N Shift Values>> N :: 120.67(3.48) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 W 0.35 H 0.22 HN Overlap>> 1.T51 1.T51 C Shift Assignments>> C :: 179.268 CA :: 60.119 CB :: 31.287 CD2 :: 120.000 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 :: 8.173 HA :: 4.221 HB2 :: 3.288 HB3 :: 3.283 HD2 :: 6.677 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 :: 118.571 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 178.503 CA :: 64.610 CB :: 37.462 CG1 :: 27.300 CG2 :: 18.341 CD1 :: 13.944 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 :: 8.293 HA :: 4.027 HB :: 2.212 HG12 :: 1.700 HG13 :: 1.705 HG21 :: 1.035 HG22 :: 1.035 HG23 :: 1.035 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 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 :: 114.3700 Ave N Shift Values>> N :: 121.46(4.28) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.36 L 0.12 R 0.04 C Shift Assignments>> C :: 181.297 CA :: 57.115 CB :: 29.151 CG :: 24.700 CD :: 41.733 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 :: 8.592 HA :: 4.258 HB2 :: 1.705 HB3 :: 1.706 HG2 :: 1.452 HG3 :: 1.450 HD2 :: 3.023 HD3 :: 3.026 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.239 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.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 Y 0.17 C 0.17 F 0.14 D 0.09 E 0.05 L 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 176.829 CA :: 55.112 CB :: 38.096 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 :: 8.710 HA :: 4.550 HB2 :: 3.023 HB3 :: 2.803 HD21 :: 7.573 HD22 :: 6.944 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 :: 120.308 ND2 :: 111.200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.34 K 0.05 G 0.05 C Shift Assignments>> C :: 176.278 CA :: 55.379 CB :: 30.552 CG :: 27.092 CD :: 43.172 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.305 HA :: 4.530 HB2 :: 2.038 HB3 :: 1.842 HG2 :: 1.624 HG3 :: 1.624 HD2 :: 3.260 HD3 :: 3.260 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 :: 116.609 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.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 HN Overlap>> 1.G40 1.G40 C Shift Assignments>> C :: 174.213 CA :: 44.940 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.820 HA2 :: 4.289 HA3 :: 3.766 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.344 Ave N Shift Values>> N :: 109.67(3.87) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.25 K 0.17 F 0.09 Y 0.06 C 0.05 R 0.05 N 0.04 C Shift Assignments>> CA :: 54.778 CB :: 41.70 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 :: 7.966 HA :: 4.535 HB2 :: 2.738 HB3 :: 2.558 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 :: 121.649 Ave N Shift Values>> N :: 120.65(3.86) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.28 C 0.21 M 0.06 R 0.04 E 0.04 HN Overlap>> 1.D15 1.D15 C Shift Assignments>> CA :: 54.244 CB :: 29.075 CG :: 33.700 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 :: 8.335 HA :: 4.451 HB2 :: 1.831 HB3 :: 1.831 HG2 :: 2.320 HG3 :: 2.320 HE21 :: 7.306 HE22 :: 6.847 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 :: 120.790 NE2 :: 112.360 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 61.971 CB :: 71.451 CG2 :: 21.200 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 :: 7.974 HA :: 4.805 HB :: 3.618 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 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 :: 119.650 Ave N Shift Values>> N :: 115.42(4.75) 1.P81 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.68 R 0.17 G 0.07 K 0.06 C Shift Assignments>> C :: 175.655 CA :: 62.424 CB :: 32.601 CG :: 27.185 CD :: 42.700(S) 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 :: 4.774 HB2 :: 1.922 HB3 :: 1.922 HG2 :: 1.800 HG3 :: 1.798 HD2 :: 3.396 HD3 :: 3.279 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.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.14 C Shift Assignments>> C :: 174.925 CA :: 59.852 CB :: 37.028 CG1 :: 21.960 CG2 :: 22.542 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 :: 8.559 HA :: 5.280 HB :: 1.839 HG11 :: 0.997 HG12 :: 0.997 HG13 :: 0.997 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 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 :: 122.597 Ave N Shift Values>> N :: 121.14(4.54) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.28 C Shift Assignments>> CA :: 55.076 CB :: 40.822 CG :: 26.810 CD1 :: 24.186 CD2 :: 24.193 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 :: 8.800 HA :: 4.821 HB2 :: 1.447 HB3 :: 1.450 HG :: 1.400 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 HD21 :: 0.912 HD22 :: 0.912 HD23 :: 0.912 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.1700 Ave N Shift Values>> N :: 121.86(3.9) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 1.I12 1.I12 C Shift Assignments>> C :: 174.034 CA :: 65.950 CB :: 34.371 CG1 :: 21.362 CG2 :: 21.800 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 :: 8.980 HA :: 4.783 HB :: 1.973 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.726 HG22 :: 0.726 HG23 :: 0.726 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 :: 129.220 Ave N Shift Values>> N :: 121.14(4.54) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 A 0.02 I 0.02 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> C :: 175.529 CA :: 58.531 CB :: 39.831 CG1 :: 27.653 CG2 :: 20.500 CD1 :: 17.969 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 :: 8.410 HA :: 5.351 HB :: 1.847 HG12 :: 1.494 HG13 :: 1.468 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 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 :: 125.526 Ave N Shift Values>> N :: 121.46(4.28) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> CA :: 56.247 CB :: 66.199 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.595 HA :: 4.799 HB2 :: 3.476 HB3 :: 3.365 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.2700 Ave N Shift Values>> N :: 116.28(3.52) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.33 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.423 CB :: 18.092 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.735 HA :: 4.300 HB1 :: 0.889 HB2 :: 0.889 HB3 :: 0.889 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.4700 Ave N Shift Values>> N :: 123.23(3.54) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.050 CB :: 69.917 CG2 :: 21.700 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>> HA :: 4.309 HB :: 4.259 HG21 :: 1.266 HG22 :: 1.266 HG23 :: 1.266 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) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.31 K 0.12 Q 0.09 I 0.05 M 0.03 C Shift Assignments>> CA :: 57.178 CB :: 29.319 CG :: 36.026 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 :: 8.269 HA :: 4.267 HB2 :: 2.005 HB3 :: 2.004 HG2 :: 2.305 HG3 :: 2.305 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 :: 120.4700 Ave N Shift Values>> N :: 120.67(3.48) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.23 C 0.07 F 0.07 L 0.07 Y 0.06 C Shift Assignments>> CA :: 53.028 CB :: 39.333 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 :: 7.194 HA :: 4.000 HB2 :: 2.747 HB3 :: 2.748 HD21 :: 6.810 HD22 :: 7.528 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 :: 120.3700 ND2 :: 112.000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.15 R 0.14 C 0.14 H 0.13 K 0.13 W 0.1 E 0.09 Q 0.06 V 0.01 C Shift Assignments>> CA :: 56.038 CB :: 31.685 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 :: 7.924 HA :: 4.783 HB2 :: 1.798 HB3 :: 2.020 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 :: 118.0700 Ave N Shift Values>> N :: 120.09(3.57) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.43 C 0.03 I 0.02 C Shift Assignments>> CA :: 54.951 CB :: 18.564 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.724 HA :: 4.252 HB1 :: 1.500 HB2 :: 1.500 HB3 :: 1.500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3700 Ave N Shift Values>> N :: 123.23(3.54) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 D 0.18 L 0.17 Y 0.17 K 0.09 C 0.09 N 0.03 I 0.02 HN Overlap>> 1.L124 1.L124 C Shift Assignments>> C :: 178.2700 CA :: 56.446 CB :: 40.717 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 :: 7.732 HA :: 4.515 HB2 :: 2.700 HB3 :: 2.699 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 :: 118.742 Ave N Shift Values>> N :: 120.65(3.86) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 HN Overlap>> 1.F50 1.F50 C Shift Assignments>> CA :: 65.048 CB :: 37.975 CG1 :: 29.100 CG2 :: 17.522 CD1 :: 13.200 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 :: 7.730 HA :: 3.516 HB :: 2.046 HG12 :: 1.816 HG13 :: 1.816 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.5700 Ave N Shift Values>> N :: 121.46(4.28) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.45 C 0.03 I 0.02 HN Overlap>> 1.R115 1.R115 C Shift Assignments>> C :: 180.673 CA :: 54.941 CB :: 18.466 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.021 HA :: 4.014 HB1 :: 1.523 HB2 :: 1.523 HB3 :: 1.523 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.788 Ave N Shift Values>> N :: 123.23(3.54) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.35 R 0.17 C Shift Assignments>> C :: 178.681 CA :: 55.882 CB :: 31.550 CG :: 24.549 CD :: 28.983 CE :: 42.000 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 :: 7.472 HA :: 3.948 HB2 :: 2.034 HB3 :: 2.034 HG2 :: 1.483 HG3 :: 1.483 HD2 :: 1.689 HD3 :: 1.689 HE2 :: 3.032 HE3 :: 3.030 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 :: 117.376 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.4 I 0.02 C 0.02 C Shift Assignments>> C :: 179.055 CA :: 54.778 CB :: 17.736 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.000 HA :: 3.887 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 :: 122.376 Ave N Shift Values>> N :: 123.23(3.54) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.41 A 0.01 C Shift Assignments>> CA :: 57.678 CB :: 41.567 CG :: 26.498 CD1 :: 22.200 CD2 :: 22.200 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 :: 8.329 HA :: 4.044 HB2 :: 1.917 HB3 :: 1.496 HG :: 1.818 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 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 :: 116.391 Ave N Shift Values>> N :: 121.86(3.9) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.43 G 0.08 K 0.04 C Shift Assignments>> C :: 177.896 CA :: 58.250 CB :: 30.353 CG :: 27.616 CD :: 43.593 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.607 HA :: 4.169 HB2 :: 1.977 HB3 :: 1.977 HG2 :: 1.844 HG3 :: 1.844 HD2 :: 3.241 HD3 :: 3.236 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.8700 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.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.29 G 0.06 A 0.02 C Shift Assignments>> C :: 177.238 CA :: 55.429 CB :: 43.094 CG :: 26.736 CD1 :: 23.100 CD2 :: 23.100 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.682 HA :: 4.295 HB2 :: 1.991 HB3 :: 1.426 HG :: 1.784 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.885 HD22 :: 0.885 HD23 :: 0.885 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.038 Ave N Shift Values>> N :: 121.86(3.9) 1.G101 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 :: 173.678 CA :: 46.167 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.681 HA2 :: 4.311 HA3 :: 3.807 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.715 Ave N Shift Values>> N :: 109.67(3.87) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.18 I 0.01 C Shift Assignments>> C :: 175.548 CA :: 60.059 CB :: 34.758 CG1 :: 19.300 CG2 :: 23.265 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 :: 8.237 HA :: 4.625 HB :: 2.172 HG11 :: 0.640 HG12 :: 0.640 HG13 :: 0.640 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.815 Ave N Shift Values>> N :: 121.14(4.54) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.39 M 0.08 I 0.05 K 0.03 Q 0.02 C Shift Assignments>> CA :: 57.762 CB :: 30.424 CG :: 36.557 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 :: 9.225 HA :: 4.110 HB2 :: 2.197 HB3 :: 1.828 HG2 :: 2.420 HG3 :: 2.418 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.1700 Ave N Shift Values>> N :: 120.67(3.48) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.26 R 0.13 D 0.1 C 0.04 F 0.01 C Shift Assignments>> C :: 173.713 CA :: 52.242 CB :: 43.970 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 :: 7.462 HA :: 4.536 HB2 :: 2.708 HB3 :: 2.724 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 :: 112.610 Ave N Shift Values>> N :: 120.65(3.86) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.39 C Shift Assignments>> C :: 174.087 CA :: 60.252 CB :: 35.158 CG1 :: 20.382 CG2 :: 20.394 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.238 HA :: 4.782 HB :: 1.880 HG11 :: 0.758 HG12 :: 0.758 HG13 :: 0.758 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 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 :: 118.8700 Ave N Shift Values>> N :: 121.14(4.54) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.41 C 0.12 C Shift Assignments>> C :: 174.461 CA :: 52.842 CB :: 44.637 CG :: 27.095 CD1 :: 24.590 CD2 :: 24.590 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.210 HA :: 4.515 HB2 :: 1.696 HB3 :: 1.399 HG :: 1.530 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 HD21 :: 0.906 HD22 :: 0.906 HD23 :: 0.906 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.363 Ave N Shift Values>> N :: 121.86(3.9) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 C 0.16 G 0.02 R 0.02 C Shift Assignments>> CA :: 53.083 CB :: 42.311 CG :: 26.665 CD1 :: 25.100 CD2 :: 25.100 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.162 HA :: 5.026 HB2 :: 1.373 HB3 :: 1.380 HG :: 1.630 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.870 HD22 :: 0.870 HD23 :: 0.870 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.110 Ave N Shift Values>> N :: 121.86(3.9) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 C 0.32 R 0.06 HN Overlap>> 1.A43 1.A43 C Shift Assignments>> CA :: 54.180 CB :: 32.685 CG :: 24.875 CD :: 28.812 CE :: 41.409 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 :: 8.000 HA :: 4.594 HB2 :: 1.468 HB3 :: 1.466 HG2 :: 0.946 HG3 :: 0.946 HD2 :: 1.389 HD3 :: 1.387 HE2 :: 2.778 HE3 :: 2.779 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 :: 119.4700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.6 P 0.27 C 0.09 I 0.01 C Shift Assignments>> CA :: 66.1900 CB :: 31.802 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>> HD3 :: 2.632 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.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> C :: 175.014 CA :: 66.1900 CB :: 31.0300 CG1 :: 20.418 CG2 :: 22.337 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 :: 8.800 HA :: 3.777 HB :: 2.397 HG11 :: 0.984 HG12 :: 0.984 HG13 :: 0.984 HG21 :: 1.111 HG22 :: 1.111 HG23 :: 1.111 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.3700 Ave N Shift Values>> N :: 121.14(4.54) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.44 R 0.1 C Shift Assignments>> C :: 175.494 CA :: 57.919 CB :: 32.244 CG :: 24.647 CD :: 28.421 CE :: 41.503 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 :: 8.729 HA :: 4.118 HB2 :: 1.852 HB3 :: 1.852 HG2 :: 1.468 HG3 :: 1.466 HD2 :: 1.674 HD3 :: 1.700 HE2 :: 2.990 HE3 :: 2.991 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.925 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.24 F 0.16 L 0.15 R 0.13 Y 0.12 C 0.07 D 0.05 I 0.02 C Shift Assignments>> C :: 176.206 CA :: 58.008 CB :: 42.183 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 :: 7.908 HA :: 4.109 HB2 :: 1.829(S) HB3 :: 1.910 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 :: 121.3700 Ave N Shift Values>> N :: 120.65(3.86) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.35 G 0.03 R 0.01 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> CA :: 57.460 CB :: 42.810 CG :: 26.464 CD1 :: 24.340 CD2 :: 24.342 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 :: 8.165 HA :: 3.996 HB2 :: 1.295 HB3 :: 1.297 HG :: 0.561 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 HD21 :: 0.812 HD22 :: 0.812 HD23 :: 0.812 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 :: 118.920 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>> Y 0.24 C 0.19 F 0.19 N 0.11 E 0.07 D 0.06 I 0.05 L 0.03 M 0.02 HN Overlap>> 1.D24 1.D24 C Shift Assignments>> CA :: 56.307 CB :: 38.154 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 :: 8.655 HA :: 4.790 HB2 :: 2.981 HB3 :: 2.803 HD21 :: 7.060 HD22 :: 7.881 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 :: 119.254 ND2 :: 115.000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.42 K 0.05 G 0.04 L 0.01 HN Overlap>> 1.A95 1.A95 C Shift Assignments>> C :: 178.396 CA :: 57.849 CB :: 29.818 CG :: 27.300 CD :: 43.100 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.912 HA :: 4.190 HB2 :: 1.868 HB3 :: 1.871 HG2 :: 1.746 HG3 :: 1.746 HD2 :: 3.252 HD3 :: 3.252 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.7700 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.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.4 C Shift Assignments>> C :: 177.274 CA :: 57.1900 CB :: 41.00 CG :: 26.020 CD1 :: 23.865 CD2 :: 25.600 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 :: 7.236 HA :: 3.983 HB2 :: 1.455 HB3 :: 1.085 HG :: 0.874 HD11 :: 0.671 HD12 :: 0.671 HD13 :: 0.671 HD21 :: 0.089 HD22 :: 0.089 HD23 :: 0.089 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 :: 119.450 Ave N Shift Values>> N :: 121.86(3.9) 1.R117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.38 K 0.07 G 0.05 C Shift Assignments>> C :: 177.452 CA :: 60.386 CB :: 30.619 CG :: 27.700 CD :: 43.101 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.931 HA :: 3.821 HB2 :: 2.051 HB3 :: 2.124 HG2 :: 1.403 HG3 :: 1.400 HD2 :: 3.200 HD3 :: 3.201 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.843 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.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.1 K 0.05 M 0.03 Q 0.03 C Shift Assignments>> C :: 179.801 CA :: 59.051 CB :: 30.018 CG :: 36.250 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 :: 7.825 HA :: 4.035 HB2 :: 2.238 HB3 :: 2.246 HG2 :: 2.321 HG3 :: 2.321 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 :: 116.905 Ave N Shift Values>> N :: 120.67(3.48) 1.M119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.31 Q 0.16 E 0.06 K 0.01 C Shift Assignments>> C :: 178.930 CA :: 58.450 CB :: 33.823 CG :: 31.900 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 :: 8.010 HA :: 4.330 HB2 :: 2.197 HB3 :: 2.106 HG2 :: 2.756 HG3 :: 2.759 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 :: 118.444 Ave N Shift Values>> N :: 120.09(3.57) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 177.969 CA :: 66.727 CB :: 32.088 CG1 :: 21.857 CG2 :: 24.200 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 :: 8.680 HA :: 3.580 HB :: 2.390 HG11 :: 0.989 HG12 :: 0.989 HG13 :: 0.989 HG21 :: 1.166 HG22 :: 1.166 HG23 :: 1.166 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 :: 120.480 Ave N Shift Values>> N :: 121.14(4.54) 1.F121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 C 0.38 Y 0.16 C Shift Assignments>> C :: 177.969 CA :: 60.586 CB :: 37.495 CD1 :: 130.800 CD2 :: 130.800 CE1 :: 130.600 CE2 :: 130.600 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.824 HA :: 4.329 HB2 :: 3.256 HB3 :: 3.257 HD1 :: 7.447 HD2 :: 7.440 HE1 :: 7.160 HE2 :: 7.160 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.113 Ave N Shift Values>> N :: 120.45(4.18) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.31 C 0.02 I 0.01 C Shift Assignments>> C :: 179.179 CA :: 54.244 CB :: 18.670 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.884 HA :: 4.360 HB1 :: 1.661 HB2 :: 1.661 HB3 :: 1.661 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.017 Ave N Shift Values>> N :: 123.23(3.54) 1.C123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 I 0.17 W 0.16 E 0.09 K 0.09 H 0.07 Q 0.07 R 0.06 V 0.02 M 0.01 HN Overlap>> 1.M61 1.M61 C Shift Assignments>> C :: 175.601 CA :: 60.119 CB :: 29.084 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.480 HA :: 4.666 HB2 :: 3.147 HB3 :: 2.881 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 :: 112.741 Ave N Shift Values>> N :: 120.17(4.64) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.26 C 0.2 A 0.02 HN Overlap>> 1.D93 1.D93 C Shift Assignments>> C :: 175.352 CA :: 54.778 CB :: 44.304 CG :: 26.392 CD1 :: 23.530 CD2 :: 23.548 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 :: 7.738 HA :: 4.450 HB2 :: 1.538 HB3 :: 1.170 HG :: 1.816 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 HD21 :: 0.733 HD22 :: 0.733 HD23 :: 0.733 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 :: 118.720 Ave N Shift Values>> N :: 121.86(3.9) 1.Y125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 180.603 CA :: 58.984 CB :: 40.499 CD1 :: 133.000 CD2 :: 133.300 CE1 :: 117.700 CE2 :: 117.700 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 :: 7.707 HA :: 4.474 HB2 :: 3.162 HB3 :: 2.856 HD1 :: 7.099 HD2 :: 7.101 HE1 :: 6.660 HE2 :: 6.662 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.120 Ave N Shift Values>> N :: 120.52(4.2) ########################################################################### Overall Results: #Consistent: 122 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 123 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 125 #Suspicious: 0 C Shift Results: #Consistent: 505 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 896 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 126 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P52 Typing: Mistyped 1.P52 CD = 44.000(S), Expected = 50.32, Std = 0.9900, ChiSquare = 1.7270e-10 1.P81 Typing: Mistyped 1.P81 CD = 42.700(S), Expected = 50.32, Std = 0.9900, ChiSquare = 1.3933e-14 1.D112 HB2 = 1.829(S), Expected = 2.72, Std = 0.2600, ChiSquare = 6.1046e-04