Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.DC1 Overall Status: Residue type DC not supported. 1.DT2 Overall Status: Residue type DT not supported. 1.DG3 Overall Status: Residue type DG not supported. 1.DT4 Overall Status: Residue type DT not supported. 1.DG5 Overall Status: Residue type DG not supported. 1.DC6 Overall Status: Residue type DC not supported. 1.DT7 Overall Status: Residue type DT not supported. 1.DC8 Overall Status: Residue type DC not supported. 1.DA9 Overall Status: Residue type DA not supported. 2.T1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 62.030 CB :: 70.300 CG2 :: 21.889 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 :: 8.316 HA :: 4.364 HG21 :: 1.220 HG22 :: 1.220 HG23 :: 1.220 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 :: 115.883 Ave N Shift Values>> N :: 115.42(4.75) 2.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> CA :: 64.920 CB :: 31.977 CG1 :: 21.253 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 :: 8.325 HA :: 3.896 HB :: 2.109 HG11 :: 0.932 HG12 :: 0.932 HG13 :: 0.932 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.158 Ave N Shift Values>> N :: 121.14(4.54) 2.V3 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 :: 64.580 CB :: 32.281 CG1 :: 21.010 CG2 :: 21.750 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 :: 7.840 HA :: 3.902 HB :: 1.992 HG11 :: 0.893 HG12 :: 0.893 HG13 :: 0.893 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.662 Ave N Shift Values>> N :: 121.14(4.54) 2.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.39 I 0.09 K 0.04 M 0.03 Q 0.01 C Shift Assignments>> CA :: 57.850 CB :: 29.886 CG :: 36.894 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 :: 8.065 HA :: 4.182 HB2 :: 2.089 HB3 :: 2.089 HG2 :: 2.299 HG3 :: 2.299 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 :: 122.088 Ave N Shift Values>> N :: 120.67(3.48) 2.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.33 Y 0.24 F 0.22 C 0.17 C Shift Assignments>> CA :: 60.400 CB :: 38.995 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 :: 8.518 HA :: 4.361 HB2 :: 3.120 HB3 :: 3.059 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) 2.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.16 K 0.09 Q 0.05 C Shift Assignments>> CA :: 59.310 CB :: 28.908 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 :: 8.187 HA :: 3.837 HB2 :: 2.079 HB3 :: 1.962 HG2 :: 2.299 HG3 :: 2.299 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 :: 118.089 Ave N Shift Values>> N :: 120.67(3.48) 2.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.12 K 0.1 Q 0.06 M 0.01 C Shift Assignments>> CA :: 58.700 CB :: 29.255 CG :: 36.064 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 :: 7.504 HA :: 3.980 HB2 :: 2.009 HB3 :: 2.009 HG2 :: 2.208 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 :: 117.119 Ave N Shift Values>> N :: 120.67(3.48) 2.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.46 C Shift Assignments>> CA :: 57.450 CB :: 40.904 CG :: 26.212 CD1 :: 22.888 CD2 :: 22.888 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 :: 7.502 HA :: 4.070 HB2 :: 1.441 HB3 :: 1.653 HG :: 0.861 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 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 :: 122.862 Ave N Shift Values>> N :: 121.86(3.9) 2.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.39 K 0.06 G 0.05 L 0.01 C Shift Assignments>> CA :: 60.120 CB :: 29.278 CG :: 27.139 CD :: 43.003 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 :: 8.655 HA :: 3.801 HB2 :: 1.017 HB3 :: 1.416 HG2 :: 1.311 HG3 :: 1.117 HD2 :: 2.997 HD3 :: 3.043 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 :: 118.916 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.41 R 0.11 C Shift Assignments>> CA :: 59.85 CB :: 32.549 CG :: 25.568 CD :: 29.563 CE :: 41.994 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 :: 7.244 HA :: 3.698 HB2 :: 1.703 HB3 :: 1.782 HG2 :: 1.566 HG3 :: 1.278 HD2 :: 1.579 HD3 :: 1.579 HE2 :: 2.850 HE3 :: 2.850 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 :: 115.206 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 K 0.13 Q 0.1 I 0.09 M 0.02 HN Overlap>> 2.V108 2.V108 C Shift Assignments>> CA :: 58.840 CB :: 29.309 CG :: 35.600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.166 HA :: 3.889 HB2 :: 2.005 HB3 :: 2.005 HG2 :: 2.068 HG3 :: 2.177 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 :: 120.366 Ave N Shift Values>> N :: 120.67(3.48) 2.L12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.87 A 0.11 C Shift Assignments>> CA :: 57.530 CB :: 39.303 CG :: 25.629 CD1 :: 20.212 CD2 :: 20.212 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 :: 8.182 HA :: 3.138 HB2 :: 1.398 HB3 :: 1.762 HG :: 0.383(S) HD11 :: -0.463(S) HD12 :: -0.463(S) HD13 :: -0.463(S) HD21 :: -0.463(S) HD22 :: -0.463(S) HD23 :: -0.463(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 :: 118.665 Ave N Shift Values>> N :: 121.86(3.9) 2.V13 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 :: 67.440 CB :: 31.486 CG1 :: 23.220 CG2 :: 21.130 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 :: 8.454 HA :: 3.324 HB :: 1.967 HG11 :: 0.842 HG12 :: 0.842 HG13 :: 0.842 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 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 :: 119.184 Ave N Shift Values>> N :: 121.14(4.54) 2.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.08 C Shift Assignments>> CA :: 58.890 CB :: 32.319 CG :: 25.032 CD :: 29.374 CE :: 42.002 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 :: 7.297 HA :: 3.972 HB2 :: 1.842 HB3 :: 1.842 HG2 :: 1.372 HG3 :: 1.494 HD2 :: 2.010 HD3 :: 1.593 HE2 :: 2.839 HE3 :: 2.839 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 :: 119.735 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 C 0.32 K 0.06 G 0.03 L 0.01 C Shift Assignments>> CA :: 54.860 CB :: 30.066 CG :: 27.174 CD :: 42.882 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 :: 7.291 HA :: 4.176 HB2 :: 1.533 HB3 :: 1.927 HG2 :: 1.717 HG3 :: 1.717 HD2 :: 3.000 HD3 :: 3.208 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 :: 115.070 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.25 R 0.09 C 0.06 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 56.100 CB :: 44.914 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 :: 6.831 HA :: 4.971 HB2 :: 2.672 HB3 :: 2.672 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 :: 121.708 Ave N Shift Values>> N :: 120.65(3.86) 2.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.930 CB :: 64.100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.696 HA :: 4.233 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 :: 118.490 Ave N Shift Values>> N :: 116.28(3.52) 2.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.858 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.872 HA2 :: 3.672 HA3 :: 4.050 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.513 Ave N Shift Values>> N :: 109.67(3.87) 2.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 Q 0.22 C 0.18 K 0.15 H 0.05 R 0.04 W 0.02 E 0.02 C Shift Assignments>> CA :: 54.210 CB :: 33.919 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 :: 7.801 HA :: 4.572 HB2 :: 1.483 HB3 :: 1.483 HG2 :: 0.803 HG3 :: 0.803 HE2 :: 2.841 HE3 :: 2.841 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 :: 121.215 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.59 C 0.39 C Shift Assignments>> CA :: 61.850 CB :: 32.274 CG :: 27.758 CD :: 50.290 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 :: 4.557 HB2 :: 2.396 HB3 :: 1.991 HG2 :: 2.100 HG3 :: 1.950 HD2 :: 3.467 HD3 :: 3.897 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) 2.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> CA :: 67.550 CB :: 31.532 CG1 :: 22.540 CG2 :: 21.350 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 :: 8.919 HA :: 3.542 HB :: 1.977 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 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 :: 122.248 Ave N Shift Values>> N :: 121.14(4.54) 2.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.27 E 0.26 K 0.06 Q 0.02 C Shift Assignments>> CA :: 60.040 CB :: 28.702 CG :: 36.179 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 :: 9.243 HA :: 3.941 HB2 :: 1.958 HB3 :: 1.958 HG2 :: 2.255 HG3 :: 2.255 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 :: 117.267 Ave N Shift Values>> N :: 120.67(3.48) 2.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.23 C Shift Assignments>> CA :: 56.980 CB :: 31.942 CG :: 24.306 CD :: 27.955 CE :: 41.872 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.972 HA :: 4.230 HB2 :: 1.875 HB3 :: 1.901 HG2 :: 1.447 HG3 :: 1.434 HD2 :: 1.665 HD3 :: 1.665 HE2 :: 2.885 HE3 :: 2.885 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 :: 119.246 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> CA :: 65.300 CB :: 38.170 CG1 :: 28.491 CG2 :: 18.255 CD1 :: 14.675 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 :: 7.945 HA :: 3.546 HB :: 1.912 HG12 :: 0.837 HG13 :: 1.423 HG21 :: 0.761 HG22 :: 0.761 HG23 :: 0.761 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 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 :: 121.958 Ave N Shift Values>> N :: 121.46(4.28) 2.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.23 R 0.19 C Shift Assignments>> CA :: 60.820 CB :: 32.454 CG :: 26.565 CD :: 29.731 CE :: 42.032 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 :: 8.056 HA :: 3.578 HB2 :: 1.670 HB3 :: 1.746 HG2 :: 1.550 HG3 :: 1.083 HD2 :: 1.627 HD3 :: 2.125 HE2 :: 2.845 HE3 :: 2.845 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 :: 116.245 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.34 I 0.11 K 0.06 Q 0.04 M 0.03 HN Overlap>> 2.L79 2.L79 C Shift Assignments>> CA :: 59.590 CB :: 29.958 CG :: 36.004 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 :: 7.219 HA :: 3.915 HB2 :: 2.086 HB3 :: 2.086 HG2 :: 2.070 HG3 :: 2.283 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 :: 118.144 Ave N Shift Values>> N :: 120.67(3.48) 2.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.34 I 0.17 K 0.04 M 0.02 Q 0.01 C Shift Assignments>> CA :: 59.490 CB :: 29.788 CG :: 36.629 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 :: 8.284 HA :: 3.829 HB2 :: 1.960 HB3 :: 2.100 HG2 :: 2.151 HG3 :: 2.465 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.360 Ave N Shift Values>> N :: 120.67(3.48) 2.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> CA :: 64.750 CB :: 38.651 CG1 :: 28.825 CG2 :: 16.946 CD1 :: 14.264 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 :: 8.276 HA :: 3.656 HB :: 1.785 HG12 :: 1.763 HG13 :: 1.003 HG21 :: 0.626 HG22 :: 0.626 HG23 :: 0.626 HD11 :: 0.616 HD12 :: 0.616 HD13 :: 0.616 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 :: 117.169 Ave N Shift Values>> N :: 121.46(4.28) 2.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.25 C 0.12 I 0.09 K 0.09 L 0.08 D 0.05 C Shift Assignments>> CA :: 58.540 CB :: 40.746 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.339 HA :: 4.209 HB2 :: 3.070 HB3 :: 3.070 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 :: 113.790 Ave N Shift Values>> N :: 120.17(4.64) 2.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 62.410 CB :: 69.990 CG2 :: 21.468 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 :: 7.569 HA :: 4.443 HG21 :: 1.296 HG22 :: 1.296 HG23 :: 1.296 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 :: 109.762 Ave N Shift Values>> N :: 115.42(4.75) 2.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.34 R 0.13 C Shift Assignments>> CA :: 55.190 CB :: 31.639 CG :: 24.798 CD :: 29.183 CE :: 41.940 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.968 HA :: 4.661 HB2 :: 1.939 HB3 :: 1.721 HG2 :: 1.507 HG3 :: 1.380 HD2 :: 1.614 HD3 :: 1.614 HE2 :: 2.916 HE3 :: 2.916 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 :: 122.317 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.H60 2.H60 C Shift Assignments>> CA :: 56.930 CB :: 62.360 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.233 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 :: 113.621 Ave N Shift Values>> N :: 116.28(3.52) 2.P33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CD1 :: 10.030 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HD11 :: 0.473 HD12 :: 0.473 HD13 :: 0.473 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) 2.K38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.41 E 0.31 I 0.22 K 0.02 M 0.01 C Shift Assignments>> CA :: 59.392 CB :: 29.660 CG :: 37.058 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 :: 8.324 HA :: 3.843 HB2 :: 2.100 HB3 :: 2.100 HG2 :: 2.290 HG3 :: 2.290 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) 2.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> CA :: 61.120 CB :: 36.999 CG1 :: 27.691 CG2 :: 17.915 CD1 :: 10.348 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 :: 8.015 HA :: 3.920 HB :: 1.924 HG12 :: 1.100 HG13 :: 1.960 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 HD11 :: 0.339 HD12 :: 0.339 HD13 :: 0.339 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 :: 115.672 Ave N Shift Values>> N :: 121.46(4.28) 2.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> CA :: 62.510 CB :: 36.116 CG1 :: 28.553 CG2 :: 17.337 CD1 :: 11.917 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 :: 8.520 HA :: 4.019 HB :: 2.135 HG12 :: 1.422 HG13 :: 1.422 HG21 :: 0.764 HG22 :: 0.764 HG23 :: 0.764 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 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 :: 115.961 Ave N Shift Values>> N :: 121.46(4.28) 2.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.21 C 0.15 N 0.13 D 0.13 L 0.06 I 0.03 E 0.01 C Shift Assignments>> CA :: 56.050 CB :: 38.932 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.399 HA :: 4.615 HB2 :: 3.280 HB3 :: 3.643 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 :: 116.021 Ave N Shift Values>> N :: 120.17(4.64) 2.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.28 K 0.13 Q 0.11 M 0.05 I 0.01 C Shift Assignments>> CA :: 55.370 CB :: 29.522 CG :: 35.911 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 :: 7.406 HA :: 4.458 HB2 :: 2.147 HB3 :: 2.337 HG2 :: 2.105 HG3 :: 1.989 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.906 Ave N Shift Values>> N :: 120.67(3.48) 2.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.18 Y 0.11 E 0.1 F 0.08 M 0.05 D 0.05 L 0.01 I 0.01 C Shift Assignments>> CA :: 54.320 CB :: 37.402 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.922 HA :: 4.511 HB2 :: 3.007 HB3 :: 2.621 HD21 :: 6.655 HD22 :: 7.386 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.313 ND2 :: 111.940 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 C 0.32 K 0.32 G 0.01 HN Overlap>> 2.N51 2.N51 C Shift Assignments>> CA :: 55.900 CB :: 33.704 CG :: 26.281 CD :: 29.251 CE :: 42.542 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 :: 7.964 HA :: 4.425 HB2 :: 1.953 HB3 :: 1.311 HG2 :: 1.282 HG3 :: 1.383 HD2 :: 1.445 HD3 :: 1.445 HE2 :: 2.888 HE3 :: 2.850 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 :: 117.609 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> CA :: 59.140 CB :: 70.150 CG2 :: 22.062 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 :: 8.384 HA :: 4.407 HB :: 4.211 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.264 Ave N Shift Values>> N :: 115.42(4.75) 2.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 Y 0.14 F 0.1 H 0.03 W 0.03 C Shift Assignments>> CA :: 60.100 CB :: 35.207 CD2 :: 131.480 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.655 HA :: 4.432 HB2 :: 2.671 HB3 :: 3.160 HD2 :: 6.663 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.447 Ave N Shift Values>> N :: 120.52(4.2) 2.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.02 C Shift Assignments>> CA :: 54.600 CB :: 18.168 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.763 HA :: 4.103 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.196 Ave N Shift Values>> N :: 123.23(3.54) 2.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.19 F 0.16 Y 0.11 D 0.1 R 0.07 C 0.07 I 0.01 C Shift Assignments>> CA :: 57.100 CB :: 41.799 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 :: 7.744 HA :: 4.268 HB2 :: 2.558 HB3 :: 3.117 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.137 Ave N Shift Values>> N :: 120.65(3.86) 2.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> CA :: 60.710 CB :: 31.550 CG1 :: 20.250 CG2 :: 21.710 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 :: 7.377 HA :: 4.312 HB :: 2.353 HG11 :: 0.782 HG12 :: 0.782 HG13 :: 0.782 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 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) 2.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.2 E 0.13 Y 0.09 M 0.08 F 0.06 D 0.03 K 0.01 HN Overlap>> 2.K45 2.K45 C Shift Assignments>> CA :: 54.070 CB :: 36.977 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 :: 7.931 HA :: 4.280 HB2 :: 3.145 HB3 :: 2.660 HD21 :: 6.695 HD22 :: 7.404 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 :: 117.507 ND2 :: 111.711 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 I 0.23 G 0.02 HN Overlap>> 2.L113 2.L113 C Shift Assignments>> CA :: 59.500 CB :: 42.438 CG1 :: 29.110 CG2 :: 15.844 CD1 :: 13.900 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 :: 7.656 HA :: 4.572 HB :: 1.433 HG12 :: 1.495 HG13 :: 1.495 HG21 :: 0.638 HG22 :: 0.638 HG23 :: 0.638 HD11 :: 0.501 HD12 :: 0.501 HD13 :: 0.501 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 :: 119.183 Ave N Shift Values>> N :: 121.46(4.28) 2.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.24 L 0.13 F 0.11 Y 0.1 C 0.07 K 0.01 C Shift Assignments>> CA :: 54.230 CB :: 39.997 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 :: 7.726 HA :: 4.428 HB2 :: 2.543 HB3 :: 3.276 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.600 Ave N Shift Values>> N :: 120.65(3.86) 2.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.27 R 0.19 K 0.01 C Shift Assignments>> CA :: 57.640 CB :: 31.157 CG :: 25.520 CD :: 44.467 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.354 HA :: 4.407 HB2 :: 1.874 HB3 :: 1.874 HG2 :: 1.917 HG3 :: 2.050 HD2 :: 3.511 HD3 :: 3.430 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 :: 120.855 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.920 CB :: 62.515 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.581 HA :: 4.761 HB2 :: 3.774 HB3 :: 3.774 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 :: 113.273 Ave N Shift Values>> N :: 116.28(3.52) 2.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 G 0.13 K 0.08 R 0.05 C Shift Assignments>> CA :: 60.480 CB :: 29.354 CG :: 30.180 CD :: 43.356 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 :: 7.832 HA :: 4.169 HB2 :: 2.104 HB3 :: 1.581 HG2 :: 1.425 HG3 :: 2.112 HD2 :: 3.168 HD3 :: 3.339 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 :: 129.444 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.G57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.56 A 0.15 G 0.12 N 0.06 C 0.05 D 0.01 C Shift Assignments>> CA :: 48.560 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.907 HA2 :: 3.281 HA3 :: 2.663(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.312 Ave N Shift Values>> N :: 109.67(3.87) 2.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 L 0.13 D 0.12 C 0.1 K 0.07 I 0.04 N 0.02 HN Overlap>> 2.K110 2.K110 C Shift Assignments>> CA :: 57.300 CB :: 40.564 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 :: 8.361 HA :: 4.511 HB2 :: 3.049 HB3 :: 2.476 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 :: 119.517 Ave N Shift Values>> N :: 120.65(3.86) 2.W59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> CA :: 60.230 CB :: 30.301 CD1 :: 125.314 CE3 :: 118.131 CZ2 :: 113.494 CZ3 :: 120.763 CH2 :: 123.048 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 :: 7.903 HA :: 3.884 HB2 :: 3.623 HB3 :: 3.297 HD1 :: 6.012 HE1 :: 9.565 HE3 :: 6.340 HZ2 :: 6.861 HZ3 :: 6.388 HH2 :: 6.348 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 :: 118.355 NE1 :: 128.887 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 W 0.33 H 0.23 HN Overlap>> 2.S32 2.S32 C Shift Assignments>> CA :: 60.640 CB :: 31.510 CD2 :: 118.763 CE1 :: 138.200 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.320 HA :: 3.923 HB2 :: 2.983 HB3 :: 2.897 HD2 :: 7.297 HE1 :: 7.857 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 :: 113.668 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 HN Overlap>> 2.L65 2.L65 C Shift Assignments>> CA :: 67.390 CB :: 31.390 CG1 :: 22.270 CG2 :: 23.540 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.709 HA :: 3.552 HB :: 2.276 HG11 :: 1.096 HG12 :: 1.096 HG13 :: 1.096 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 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 :: 120.781 Ave N Shift Values>> N :: 121.14(4.54) 2.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> CA :: 67.420 CB :: 37.248 CG1 :: 31.319 CG2 :: 17.656 CD1 :: 14.197 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 :: 8.782 HA :: 3.384 HB :: 1.686 HG12 :: 2.159 HG13 :: 0.776 HG21 :: 0.680 HG22 :: 0.680 HG23 :: 0.680 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 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 :: 119.558 Ave N Shift Values>> N :: 121.46(4.28) 2.L63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.55 C 0.42 C Shift Assignments>> CA :: 58.490 CB :: 42.004 CG :: 26.852 CD1 :: 23.970 CD2 :: 23.720 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 :: 8.116 HA :: 3.413 HB2 :: 1.407 HB3 :: 0.883 HG :: 0.718 HD11 :: -0.196(S) HD12 :: -0.196(S) HD13 :: -0.196(S) HD21 :: 0.083 HD22 :: 0.083 HD23 :: 0.083 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 :: 118.910 Ave N Shift Values>> N :: 121.86(3.9) 2.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 C 0.32 F 0.23 C Shift Assignments>> CA :: 62.980 CB :: 38.967 CD2 :: 132.973 CE2 :: 117.911 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 :: 7.408 HA :: 3.826 HB2 :: 3.147 HB3 :: 3.147 HD1 :: 6.863 HD2 :: 6.863 HE1 :: 6.447 HE2 :: 6.447 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 :: 117.312 Ave N Shift Values>> N :: 120.52(4.2) 2.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 L 0.14 R 0.01 HN Overlap>> 2.V61 2.V61 C Shift Assignments>> CA :: 58.590 CB :: 40.533 CG :: 27.842 CD1 :: 22.140 CD2 :: 26.550 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 :: 8.685 HA :: 3.814 HB2 :: 2.026 HB3 :: 1.527 HG :: 0.800 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 HD21 :: 0.745 HD22 :: 0.745 HD23 :: 0.745 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 :: 120.770 Ave N Shift Values>> N :: 121.86(3.9) 2.M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 M 0.05 E 0.02 Q 0.01 C Shift Assignments>> CA :: 60.100 CB :: 34.196 CG :: 34.610 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 :: 8.842 HA :: 3.912 HB2 :: 1.993 HB3 :: 1.866 HG2 :: 3.045 HG3 :: 2.223 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 :: 118.672 Ave N Shift Values>> N :: 120.09(3.57) 2.K67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 K 0.3 R 0.14 C Shift Assignments>> CA :: 59.140 CB :: 32.337 CG :: 26.624 CD :: 29.620 CE :: 41.485 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 :: 7.997 HA :: 3.732 HB2 :: 1.475 HB3 :: 1.584 HG2 :: 0.873 HG3 :: 1.404 HD2 :: 1.190 HD3 :: 1.302 HE2 :: 2.262(S) HE3 :: 2.337 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 :: 117.922 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 H 0.34 C 0.29 C Shift Assignments>> CA :: 57.210 CB :: 28.280 CD2 :: 121.396 CE1 :: 136.824 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 :: 7.518 HA :: 4.312 HB2 :: 3.493 HB3 :: 2.535 HD2 :: 6.711 HE1 :: 7.487 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 :: 116.571 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.897 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.613 HA2 :: 4.133 HA3 :: 3.774 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.801 Ave N Shift Values>> N :: 109.67(3.87) 2.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.4 C Shift Assignments>> CA :: 60.930 CB :: 30.057 CG1 :: 20.110 CG2 :: 20.910 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 :: 8.171 HA :: 4.389 HB :: 2.060 HG11 :: 0.744 HG12 :: 0.744 HG13 :: 0.744 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.146 Ave N Shift Values>> N :: 121.14(4.54) 2.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.27 S 0.01 C Shift Assignments>> CA :: 60.600 CB :: 68.000 CG2 :: 22.530 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 :: 7.876 HA :: 4.235 HG21 :: 0.817 HG22 :: 0.817 HG23 :: 0.817 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.382 Ave N Shift Values>> N :: 115.42(4.75) 2.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.27 R 0.1 N 0.07 K 0.06 G 0.05 C 0.05 F 0.03 Y 0.01 C Shift Assignments>> CA :: 51.580 CB :: 42.522 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 :: 7.527 HA :: 4.124 HB2 :: 2.484 HB3 :: 2.301 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 :: 120.807 Ave N Shift Values>> N :: 120.65(3.86) 2.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> CA :: 65.360 CB :: 32.621 CG :: 27.897 CD :: 50.410 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 :: 4.006 HB2 :: 2.165 HB3 :: 2.219 HG2 :: 1.651 HG3 :: 1.866 HD2 :: 3.607 HD3 :: 3.607 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) 2.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.12 L 0.11 D 0.11 I 0.06 K 0.04 N 0.02 C Shift Assignments>> CA :: 57.410 CB :: 40.281 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 :: 8.139 HA :: 4.444 HB2 :: 2.622 HB3 :: 2.578 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 :: 115.402 Ave N Shift Values>> N :: 120.65(3.86) 2.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.29 R 0.23 C Shift Assignments>> CA :: 59.470 CB :: 33.130 CG :: 26.369 CD :: 29.730 CE :: 42.154 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 :: 7.313 HA :: 3.908 HB2 :: 1.412 HB3 :: 1.742 HG2 :: 1.399 HG3 :: 1.274 HD2 :: 2.180 HD3 :: 1.972 HE2 :: 2.827 HE3 :: 2.915 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 :: 121.112 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I76 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>> CA :: 66.320 CB :: 38.225 CG1 :: 29.959 CG2 :: 17.997 CD1 :: 13.402 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 :: 7.670 HA :: 3.974 HB :: 1.832 HG12 :: 0.706 HG13 :: 1.525 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 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 :: 116.569 Ave N Shift Values>> N :: 121.46(4.28) 2.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.39 C Shift Assignments>> CA :: 58.240 CB :: 41.807 CG :: 26.434 CD1 :: 24.700 CD2 :: 23.880 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.999 HA :: 3.701 HB2 :: 1.625 HB3 :: 1.625 HG :: 1.408 HD11 :: 0.266 HD12 :: 0.266 HD13 :: 0.266 HD21 :: 0.460 HD22 :: 0.460 HD23 :: 0.460 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 :: 116.128 Ave N Shift Values>> N :: 121.86(3.9) 2.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.11 K 0.07 Q 0.04 M 0.02 C Shift Assignments>> CA :: 58.700 CB :: 29.593 CG :: 36.228 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 :: 7.025 HA :: 3.891 HB2 :: 2.010 HB3 :: 2.099 HG2 :: 2.309 HG3 :: 2.156 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.452 Ave N Shift Values>> N :: 120.67(3.48) 2.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.31 G 0.04 R 0.02 HN Overlap>> 2.E26 2.E26 C Shift Assignments>> CA :: 55.660 CB :: 43.007 CG :: 27.365 CD1 :: 24.131 CD2 :: 24.131 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 :: 7.312 HA :: 4.052 HB2 :: 1.795 HB3 :: 1.347 HG :: 1.647 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 HD21 :: 0.782 HD22 :: 0.782 HD23 :: 0.782 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 :: 118.130 Ave N Shift Values>> N :: 121.86(3.9) 2.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.28 L 0.15 F 0.06 C 0.05 Y 0.05 K 0.02 C Shift Assignments>> CA :: 52.850 CB :: 40.530 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.133 HA :: 4.339 HB2 :: 1.651 HB3 :: 1.451 HD11 :: 0.923 HD12 :: 0.923 HD13 :: 0.923 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.209 Ave N Shift Values>> N :: 121.86(3.9) 2.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.47 C Shift Assignments>> CA :: 62.430 CB :: 33.922 CG :: 26.850 CD :: 49.680 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 :: 4.483 HB2 :: 1.770 HB3 :: 2.287 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) 2.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.4 K 0.11 G 0.05 L 0.01 C Shift Assignments>> CA :: 58.270 CB :: 29.778 CG :: 26.423 CD :: 43.230 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 :: 8.508 HA :: 3.910 HB2 :: 1.758 HB3 :: 1.680 HG2 :: 1.555 HG3 :: 1.469 HD2 :: 3.069 HD3 :: 3.069 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 :: 115.141 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.17 C 0.07 F 0.04 L 0.03 Y 0.03 C Shift Assignments>> CA :: 51.760 CB :: 38.983 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 :: 7.948 HA :: 4.634 HB2 :: 2.437 HB3 :: 3.048 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 :: 112.401 Ave N Shift Values>> N :: 120.65(3.86) 2.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.810 CB :: 63.900 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.541 HA :: 4.573 HB2 :: 3.448 HB3 :: 3.448 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.715 Ave N Shift Values>> N :: 116.28(3.52) 2.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.18 W 0.15 R 0.12 E 0.12 H 0.11 K 0.08 M 0.07 Q 0.06 V 0.05 I 0.01 C Shift Assignments>> CA :: 58.760 CB :: 31.100 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>> HA :: 4.255 HB2 :: 1.786 HB3 :: 1.614 HG2 :: 1.453 HG3 :: 1.453 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) 2.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.04 C 0.02 L 0.01 C Shift Assignments>> CA :: 52.080 CB :: 19.930 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.360 HA :: 4.437 HB1 :: 0.999 HB2 :: 0.999 HB3 :: 0.999 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.548 Ave N Shift Values>> N :: 123.23(3.54) 2.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Q 0.18 K 0.15 M 0.15 E 0.09 V 0.04 R 0.02 H 0.02 W 0.02 Y 0.01 I 0.01 C Shift Assignments>> CA :: 57.960 CB :: 34.405 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 :: 7.313 HA :: 4.288 HB2 :: 1.648 HB3 :: 1.852 HG2 :: 1.050 HG3 :: 1.050 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 :: 115.380 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 M 0.14 H 0.14 C 0.13 K 0.11 W 0.11 E 0.1 Q 0.07 V 0.01 C Shift Assignments>> CA :: 56.180 CB :: 31.377 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 :: 7.969 HA :: 4.294 HB2 :: 1.824 HB3 :: 1.824 HG2 :: 2.105 HG3 :: 2.105 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 :: 120.376 Ave N Shift Values>> N :: 120.67(3.48) 2.N89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HB2 :: 2.667 HB3 :: 2.667 HD21 :: 7.194 HD22 :: 7.867 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 :: 114.201 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E90 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.W92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CD1 :: 125.805 CE3 :: 120.852 CZ2 :: 115.605 CZ3 :: 120.651 CH2 :: 124.866 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>> HD1 :: 7.581 HE1 :: 10.820 HE3 :: 7.567 HZ2 :: 7.641 HZ3 :: 6.837 HH2 :: 7.159 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>> NE1 :: 130.466 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.N93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.87 C 0.12 C Shift Assignments>> CA :: 65.000 CB :: 67.930 CG2 :: 22.928 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 :: 7.983 HA :: 4.698 HB :: 3.960 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) 2.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 K 0.21 R 0.08 E 0.04 I 0.03 M 0.01 C Shift Assignments>> CA :: 59.030 CB :: 28.000 CG :: 33.791 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 :: 7.438 HA :: 4.157 HB2 :: 2.056 HB3 :: 2.056 HG2 :: 2.274 HG3 :: 2.274 HE21 :: 6.599 HE22 :: 7.228 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 :: 121.529 NE2 :: 110.654 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.34 R 0.14 HN Overlap>> 2.E114 2.E114 C Shift Assignments>> CA :: 60.040 CB :: 30.950 CG :: 25.858 CD :: 29.268 CE :: 41.881 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 :: 7.748 HA :: 3.579 HB2 :: 0.439(S) HB3 :: 0.698(S) HG2 :: 1.071 HG3 :: 1.061 HD2 :: 1.229 HD3 :: 1.229 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 :: 119.327 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.49 C Shift Assignments>> CA :: 62.100 CB :: 38.329 CD1 :: 134.074 CD2 :: 133.344 CE1 :: 119.464 CE2 :: 118.336 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.069 HA :: 4.112 HB2 :: 3.143 HB3 :: 3.252 HD1 :: 7.301 HD2 :: 6.551 HE1 :: 6.746 HE2 :: 6.567 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.103 Ave N Shift Values>> N :: 120.52(4.2) 2.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> CA :: 59.160 CB :: 39.527 CD1 :: 130.939 CD2 :: 131.093 CE1 :: 132.470 CE2 :: 130.360 CZ :: 128.541 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 :: 8.721 HA :: 4.157 HB2 :: 3.385 HB3 :: 3.196 HD1 :: 7.039 HD2 :: 7.124 HE1 :: 7.189 HE2 :: 7.016 HZ :: 6.863 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.575 Ave N Shift Values>> N :: 120.45(4.18) 2.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> CA :: 67.180 CB :: 31.312 CG1 :: 22.010 CG2 :: 20.991 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 :: 8.334 HA :: 3.557 HB :: 1.813 HG11 :: 0.456 HG12 :: 0.456 HG13 :: 0.456 HG21 :: 0.590 HG22 :: 0.590 HG23 :: 0.590 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 :: 116.854 Ave N Shift Values>> N :: 121.14(4.54) 2.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> CA :: 64.350 CB :: 37.464 CG1 :: 29.110 CG2 :: 17.541 CD1 :: 14.067 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 :: 7.981 HA :: 3.964 HB :: 2.025 HG12 :: 1.555 HG13 :: 1.660 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 HD11 :: 1.010 HD12 :: 1.010 HD13 :: 1.010 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 :: 119.731 Ave N Shift Values>> N :: 121.46(4.28) 2.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 67.450 CB :: 68.810 CG2 :: 21.343 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 :: 7.651 HB :: 3.978 HG21 :: 1.117 HG22 :: 1.117 HG23 :: 1.117 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 :: 117.839 Ave N Shift Values>> N :: 115.42(4.75) 2.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.37 R 0.05 G 0.05 C Shift Assignments>> CA :: 58.260 CB :: 43.040 CG :: 26.427 CD1 :: 25.398 CD2 :: 23.505 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 :: 8.562 HA :: 3.656 HB2 :: 0.923 HB3 :: 1.535 HG :: 1.086 HD11 :: -0.031 HD12 :: -0.031 HD13 :: -0.031 HD21 :: 0.433 HD22 :: 0.433 HD23 :: 0.433 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 :: 119.301 Ave N Shift Values>> N :: 121.86(3.9) 2.S103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.960 CB :: 63.110 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.121 HA :: 4.030 HB2 :: 2.934(S) HB3 :: 3.637 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.379 Ave N Shift Values>> N :: 116.28(3.52) 2.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 K 0.35 C Shift Assignments>> CA :: 59.916 CB :: 31.255 CG :: 25.531 CD :: 28.122 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 :: 8.465 HA :: 4.056 HB2 :: 1.968 HB3 :: 1.968 HG2 :: 2.018 HG3 :: 1.351 HD2 :: 1.754 HD3 :: 2.108 HE2 :: 2.935 HE3 :: 2.935 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.337 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.199 CB :: 17.860 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.656 HA :: 3.416 HB1 :: 0.882 HB2 :: 0.882 HB3 :: 0.882 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.922 Ave N Shift Values>> N :: 123.23(3.54) 2.W106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 C Shift Assignments>> CA :: 58.548 CB :: 30.233 CD1 :: 126.677 CE3 :: 122.124 CZ2 :: 113.215 CZ3 :: 120.748 CH2 :: 123.067 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 :: 8.555 HA :: 4.672 HB2 :: 3.149 HB3 :: 3.200 HD1 :: 7.002 HE1 :: 9.948 HE3 :: 7.601 HZ2 :: 7.126 HZ3 :: 6.663 HH2 :: 6.763 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 :: 118.212 NE1 :: 126.683 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.050 CB :: 62.830 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.522 HA :: 3.948 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.762 Ave N Shift Values>> N :: 116.28(3.52) 2.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 2.E11 2.E11 C Shift Assignments>> CA :: 65.804 CB :: 31.772 CG1 :: 22.331 CG2 :: 21.358 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 :: 7.165 HA :: 3.622 HB :: 2.148 HG11 :: 1.082 HG12 :: 1.082 HG13 :: 1.082 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 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 :: 120.476 Ave N Shift Values>> N :: 121.14(4.54) 2.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> CA :: 65.950 CB :: 31.649 CG1 :: 24.024 CG2 :: 21.873 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 :: 8.051 HA :: 3.427 HB :: 1.889 HG11 :: 0.860 HG12 :: 0.860 HG13 :: 0.860 HG21 :: 0.683 HG22 :: 0.683 HG23 :: 0.683 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 :: 119.835 Ave N Shift Values>> N :: 121.14(4.54) 2.K110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 K 0.38 R 0.07 HN Overlap>> 2.D58 2.D58 C Shift Assignments>> CA :: 59.545 CB :: 30.768 CG :: 24.106 CD :: 29.309 CE :: 41.683 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 :: 8.306 HA :: 3.078 HB2 :: 0.625(S) HB3 :: 0.625(S) HG2 :: 0.556 HG3 :: 0.773 HD2 :: 1.169 HD3 :: 1.169 HE2 :: 2.573 HE3 :: 2.674 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 :: 119.542 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.13 C Shift Assignments>> CA :: 58.188 CB :: 31.811 CG :: 24.428 CD :: 28.981 CE :: 41.961 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.832 HA :: 3.869 HB2 :: 1.580 HB3 :: 1.580 HG2 :: 1.149 HG3 :: 1.149 HD2 :: 1.518 HD3 :: 1.518 HE2 :: 2.819 HE3 :: 2.819 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 :: 116.290 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Y112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 C 0.31 F 0.23 C Shift Assignments>> CA :: 59.090 CB :: 38.048 CD2 :: 133.011 CE2 :: 118.096 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.478 HA :: 4.294 HB2 :: 2.884 HB3 :: 3.156 HD2 :: 6.998 HE2 :: 6.656 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.384 Ave N Shift Values>> N :: 120.52(4.2) 2.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.31 R 0.08 A 0.05 G 0.02 HN Overlap>> 2.I52 2.I52 C Shift Assignments>> CA :: 55.513 CB :: 42.516 CG :: 26.590 CD1 :: 22.503 CD2 :: 25.677 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 :: 7.661 HA :: 4.102 HB2 :: 1.476 HB3 :: 1.585 HG :: 1.677 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.809 HD22 :: 0.809 HD23 :: 0.809 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 :: 119.142 Ave N Shift Values>> N :: 121.86(3.9) 2.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.33 K 0.08 M 0.06 Q 0.06 I 0.03 HN Overlap>> 2.K96 2.K96 C Shift Assignments>> CA :: 56.355 CB :: 29.858 CG :: 36.304 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 :: 7.692 HA :: 4.145 HB2 :: 1.844 HB3 :: 1.844 HG2 :: 2.125 HG3 :: 2.235 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 :: 119.374 Ave N Shift Values>> N :: 120.67(3.48) 2.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.11 C 0.04 L 0.04 C Shift Assignments>> CA :: 53.920 CB :: 19.975 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.503 HA :: 3.980 HB1 :: 1.238 HB2 :: 1.238 HB3 :: 1.238 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.50 Ave N Shift Values>> N :: 123.23(3.54) 3.ATP1 Overall Status: Residue type ATP not supported. 4.MG1 Overall Status: Residue type MG not supported. ########################################################################### Overall Results: #Consistent: 108 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 115 #Suspicious: 0 C Shift Results: #Consistent: 376 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 750 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 0 N Shift Results: #Consistent: 104 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 2.L12 HG = 0.383(S), Expected = 1.51, Std = 0.3300, ChiSquare = 6.3747e-04 2.L12 HD11 = -0.463(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.4767e-05 2.L12 HD12 = -0.463(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.4767e-05 2.L12 HD13 = -0.463(S), Expected = 0.75, Std = 0.2800, ChiSquare = 1.4767e-05 2.L12 HD21 = -0.463(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.8921e-05 2.L12 HD22 = -0.463(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.8921e-05 2.L12 HD23 = -0.463(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.8921e-05 2.G57 HA3 = 2.663(S), Expected = 3.90, Std = 0.3700, ChiSquare = 8.2805e-04 2.L63 HD11 = -0.196(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.2864e-04 2.L63 HD12 = -0.196(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.2864e-04 2.L63 HD13 = -0.196(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.2864e-04 2.K67 HE2 = 2.262(S), Expected = 2.92, Std = 0.1900, ChiSquare = 5.3388e-04 2.K96 HB2 = 0.439(S), Expected = 1.78, Std = 0.2500, ChiSquare = 8.1399e-08 2.K96 HB3 = 0.698(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.1373e-04 2.S103 HB2 = 2.934(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.5433e-04 2.K110 HB2 = 0.625(S), Expected = 1.78, Std = 0.2500, ChiSquare = 3.8374e-06 2.K110 HB3 = 0.625(S), Expected = 1.74, Std = 0.2700, ChiSquare = 3.6335e-05