Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.753 CA :: 58.096 CB :: 63.705 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.525 HB2 :: 3.845 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.3 R 0.1 HN Overlap>> 1.V95 1.V95 C Shift Assignments>> C :: 174.270 CA :: 54.199 CB :: 32.443 CG :: 24.559 CD :: 29.041 CE :: 41.912 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.366 HA :: 4.593 HB2 :: 1.810 HB3 :: 1.690 HG2 :: 1.476 HD2 :: 1.700 HE2 :: 2.994 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 :: 124.478 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 175.600 CA :: 62.909 CB :: 32.263 CG :: 27.306 CD :: 50.635 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.310 HB2 :: 2.083 HB3 :: 1.629 HG2 :: 1.941 HD2 :: 3.792 HD3 :: 3.616 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.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.37 R 0.09 C Shift Assignments>> C :: 175.975 CA :: 55.614 CB :: 34.281 CG :: 25.057 CD :: 29.053 CE :: 41.888 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 :: 8.217 HA :: 4.262 HB2 :: 1.614 HB3 :: 1.541 HG2 :: 1.363 HG3 :: 1.291 HD2 :: 1.618 HE2 :: 2.949 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 :: 121.214 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 174.498 CA :: 57.051 CB :: 41.082 CD1 :: 133.239 CD2 :: 133.239 CE1 :: 117.527 CE2 :: 117.527 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 :: 8.959 HA :: 5.102 HB2 :: 3.233 HB3 :: 2.705 HD1 :: 7.020 HD2 :: 7.020 HE1 :: 6.611 HE2 :: 6.611 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.098 Ave N Shift Values>> N :: 120.52(4.2) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 N 0.26 M 0.18 E 0.1 Q 0.04 K 0.04 Y 0.03 F 0.01 C Shift Assignments>> C :: 174.114 CA :: 52.586 CB :: 35.751 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 :: 8.897 HA :: 4.738 HB2 :: 2.930 HB3 :: 3.109 HD21 :: 7.762 HD22 :: 7.077 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.410 ND2 :: 114.731 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 178.781 CA :: 66.416 CB :: 32.224 CG :: 27.820 CD :: 50.745 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 :: 4.270 HB2 :: 2.440 HB3 :: 2.010 HG2 :: 2.223 HG3 :: 2.141 HD2 :: 3.901 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.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 I 0.17 W 0.17 K 0.12 E 0.11 Q 0.08 R 0.07 V 0.01 M 0.01 C Shift Assignments>> C :: 178.924 CA :: 59.800 CB :: 28.900 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 :: 9.270 HA :: 4.107 HB2 :: 2.047 HG2 :: 2.381 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 :: 118.362 Ave N Shift Values>> N :: 120.67(3.48) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 HN Overlap>> 1.A91 1.A91 C Shift Assignments>> C :: 177.947 CA :: 65.485 CB :: 32.122 CG1 :: 21.610 CG2 :: 24.246 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 :: 7.587 HA :: 3.520 HB :: 2.170 HG11 :: 0.498 HG12 :: 0.498 HG13 :: 0.498 HG21 :: 1.084 HG22 :: 1.084 HG23 :: 1.084 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 :: 120.407 Ave N Shift Values>> N :: 121.14(4.54) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.31 I 0.2 K 0.07 Q 0.03 C Shift Assignments>> C :: 178.574 CA :: 59.545 CB :: 29.050 CG :: 36.265 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 :: 8.427 HA :: 3.975 HB2 :: 2.002 HG2 :: 2.280 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.068 Ave N Shift Values>> N :: 120.67(3.48) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.35 I 0.03 C 0.02 C Shift Assignments>> C :: 180.930 CA :: 55.178 CB :: 17.926 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.040 HA :: 4.280 HB1 :: 1.525 HB2 :: 1.525 HB3 :: 1.525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.156 Ave N Shift Values>> N :: 123.23(3.54) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 180.047 CA :: 58.458 CB :: 32.194 CG :: 25.009 CE :: 41.988 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 :: 7.186 HA :: 4.122 HB2 :: 2.015 HB3 :: 1.833 HG2 :: 1.527 HG3 :: 1.632 HE2 :: 2.960 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 :: 117.823 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.38 A 0.01 R 0.01 C Shift Assignments>> C :: 178.755 CA :: 57.437 CB :: 40.919 CG :: 26.608 CD1 :: 22.372 CD2 :: 26.211 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 :: 8.576 HA :: 4.040 HB2 :: 1.179 HB3 :: 1.986 HG :: 1.543 HD11 :: 0.673 HD12 :: 0.673 HD13 :: 0.673 HD21 :: 0.721 HD22 :: 0.721 HD23 :: 0.721 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 :: 121.673 Ave N Shift Values>> N :: 121.86(3.9) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.11 L 0.1 K 0.08 I 0.07 D 0.07 C Shift Assignments>> C :: 179.202 CA :: 58.078 CB :: 40.641 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 :: 8.610 HA :: 4.558 HB2 :: 2.904 HB3 :: 2.731 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 :: 120.383 Ave N Shift Values>> N :: 120.65(3.86) 1.V16 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>> C :: 178.103 CA :: 66.713 CB :: 31.888 CG1 :: 21.165 CG2 :: 22.560 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 :: 7.298 HA :: 3.650 HB :: 2.290 HG11 :: 1.045 HG12 :: 1.045 HG13 :: 1.045 HG21 :: 1.181 HG22 :: 1.181 HG23 :: 1.181 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 :: 119.613 Ave N Shift Values>> N :: 121.14(4.54) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 179.707 CA :: 55.245 CB :: 18.189 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.778 HA :: 4.404 HB1 :: 1.516 HB2 :: 1.516 HB3 :: 1.516 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.809 Ave N Shift Values>> N :: 123.23(3.54) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.23 G 0.13 K 0.05 C Shift Assignments>> C :: 179.224 CA :: 60.094 CB :: 30.222 CG :: 29.014 CD :: 43.588 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 :: 9.097 HA :: 4.070 HB2 :: 1.974 HB3 :: 2.037 HG2 :: 1.887 HD2 :: 3.155 HD3 :: 3.192 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 :: 118.442 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.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.34 G 0.11 K 0.04 C Shift Assignments>> C :: 179.549 CA :: 59.695 CB :: 30.204 CG :: 28.283 CD :: 43.649 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 :: 7.750 HA :: 4.130 HB2 :: 2.049 HB3 :: 1.992 HG2 :: 1.923 HG3 :: 1.654 HD2 :: 3.315 HD3 :: 3.210 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 :: 119.529 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.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.44 R 0.05 HN Overlap>> 1.L77 1.L77 C Shift Assignments>> C :: 178.357 CA :: 58.210 CB :: 41.893 CG :: 27.247 CD1 :: 24.067 CD2 :: 25.514 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.406 HA :: 4.107 HB2 :: 1.829 HB3 :: 2.179 HG :: 1.905 HD11 :: 1.013 HD12 :: 1.013 HD13 :: 1.013 HD21 :: 1.066 HD22 :: 1.066 HD23 :: 1.066 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 :: 122.936 Ave N Shift Values>> N :: 121.86(3.9) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.22 C Shift Assignments>> C :: 176.851 CA :: 62.576 CB :: 39.866 CD1 :: 131.870 CD2 :: 131.870 CE1 :: 131.184 CE2 :: 131.184 CZ :: 130.015 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 :: 8.940 HA :: 3.648 HB2 :: 3.152 HB3 :: 3.393 HD1 :: 6.920 HD2 :: 6.920 HE1 :: 7.070 HE2 :: 7.070 HZ :: 7.227 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.064 Ave N Shift Values>> N :: 120.45(4.18) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.4 R 0.14 HN Overlap>> 1.Q31 1.Q31 C Shift Assignments>> C :: 178.433 CA :: 59.127 CB :: 32.581 CG :: 25.699 CD :: 29.267 CE :: 42.069 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 :: 7.717 HA :: 4.090 HB2 :: 2.017 HG2 :: 1.663 HG3 :: 1.791 HD2 :: 1.799 HE2 :: 3.042 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.835 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.4 G 0.11 K 0.03 HN Overlap>> 1.I37 1.I37 C Shift Assignments>> C :: 177.659 CA :: 58.535 CB :: 29.907 CG :: 26.616 CD :: 43.734 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 :: 7.620 HA :: 3.845 HB2 :: 1.773 HG2 :: 1.343 HG3 :: 0.821 HD2 :: 2.937 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 :: 118.180 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.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 176.117 CA :: 60.581 CB :: 38.075 CD1 :: 132.980 CD2 :: 132.980 CE1 :: 117.467 CE2 :: 117.467 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 :: 7.563 HA :: 4.315 HB2 :: 2.259 HB3 :: 3.236 HD1 :: 7.260 HD2 :: 7.260 HE1 :: 6.747 HE2 :: 6.747 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 :: 114.554 Ave N Shift Values>> N :: 120.52(4.2) 1.D25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.64 C 0.11 D 0.08 Y 0.05 F 0.04 L 0.01 M 0.01 E 0.01 C Shift Assignments>> C :: 177.965 CA :: 52.412 CB :: 37.977 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 :: 7.851 HA :: 4.644 HB2 :: 1.832(S) HB3 :: 2.692 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 :: 121.812 Ave N Shift Values>> N :: 120.65(3.86) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.45 R 0.07 C Shift Assignments>> C :: 177.339 CA :: 59.152 CB :: 32.800 CG :: 24.990 CD :: 28.952 CE :: 41.904 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 :: 7.928 HA :: 3.958 HB2 :: 1.937 HG2 :: 1.580 HG3 :: 1.547 HD2 :: 1.776 HE2 :: 3.056 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 :: 125.324 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.27 L 0.08 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 177.467 CA :: 52.428 CB :: 39.737 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.993 HA :: 4.669 HB2 :: 2.722 HB3 :: 3.135 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.349 Ave N Shift Values>> N :: 120.65(3.86) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 175.330 CA :: 46.726 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.158 HA2 :: 3.882 HA3 :: 3.781 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.359 Ave N Shift Values>> N :: 109.67(3.87) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T44 1.T44 C Shift Assignments>> C :: 175.670 CA :: 59.580 CB :: 64.722 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.296 HA :: 4.284 HB2 :: 4.249 HB3 :: 3.898 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.120 Ave N Shift Values>> N :: 116.28(3.52) 1.G30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.029 CA :: 45.074 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 11.167(S) HA2 :: 3.704 HA3 :: 4.449 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.509 Ave N Shift Values>> N :: 109.67(3.87) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 C 0.28 Q 0.11 K 0.02 HN Overlap>> 1.K22 1.K22 C Shift Assignments>> C :: 175.198 CA :: 53.206 CB :: 31.741 CG :: 32.507 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 :: 7.728 HA :: 5.104 HB2 :: 1.847 HG2 :: 2.347 HG3 :: 2.158 HE21 :: 7.457 HE22 :: 6.647 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.827 NE2 :: 109.828 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 A 0.27 C 0.24 R 0.08 G 0.07 C Shift Assignments>> C :: 176.781 CA :: 53.269 CB :: 42.834 CG :: 26.012 CD1 :: 22.194 CD2 :: 26.542 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 :: 10.054 HA :: 5.304 HB2 :: 1.187 HB3 :: 1.826 HG :: 1.319 HD11 :: 0.104 HD12 :: 0.104 HD13 :: 0.104 HD21 :: 0.413 HD22 :: 0.413 HD23 :: 0.413 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 :: 127.371 Ave N Shift Values>> N :: 121.86(3.9) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.27 Q 0.16 E 0.1 K 0.01 HN Overlap>> 1.I85 1.Y45 1.I85 1.Y45 C Shift Assignments>> C :: 176.355 CA :: 54.211 CB :: 31.748 CG :: 34.598 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 :: 8.470 HA :: 4.898 HB2 :: 2.303 HB3 :: 2.068 HG2 :: 2.434 HG3 :: 2.292 HE21 :: 7.685 HE22 :: 6.969 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 :: 121.488 NE2 :: 113.184 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 C 0.12 L 0.08 I 0.08 D 0.06 K 0.04 C Shift Assignments>> C :: 176.911 CA :: 58.140 CB :: 40.398 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 :: 8.991 HA :: 4.087 HB2 :: 2.767 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 :: 120.185 Ave N Shift Values>> N :: 120.65(3.86) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 D 0.15 C 0.12 L 0.11 N 0.06 I 0.04 K 0.01 C Shift Assignments>> C :: 178.248 CA :: 56.600 CB :: 39.857 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 :: 8.828 HA :: 4.395 HB2 :: 2.747 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 :: 119.094 Ave N Shift Values>> N :: 120.65(3.86) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.39 M 0.09 I 0.04 K 0.02 Q 0.01 HN Overlap>> 1.F53 1.F53 C Shift Assignments>> C :: 178.523 CA :: 57.886 CB :: 30.747 CG :: 36.785 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 :: 7.976 HA :: 4.356 HB2 :: 2.335 HG2 :: 2.701 HG3 :: 2.437 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.134 Ave N Shift Values>> N :: 120.67(3.48) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.R23 1.R23 C Shift Assignments>> C :: 176.710 CA :: 64.495 CB :: 38.029 CG1 :: 30.484 CG2 :: 18.927 CD1 :: 14.555 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 :: 7.684 HA :: 3.161 HB :: 1.863 HG12 :: 1.591 HG13 :: 0.816 HG21 :: 0.642 HG22 :: 0.642 HG23 :: 0.642 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.236 Ave N Shift Values>> N :: 121.46(4.28) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.19 I 0.07 C 0.02 C Shift Assignments>> C :: 179.539 CA :: 55.957 CB :: 17.545 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.809 HA :: 3.586 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.643 Ave N Shift Values>> N :: 123.23(3.54) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 174.505 CA :: 47.021 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.560 HA2 :: 3.630 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.968 Ave N Shift Values>> N :: 109.67(3.87) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.42 R 0.02 C Shift Assignments>> C :: 180.158 CA :: 58.130 CB :: 41.554 CG :: 26.777 CD1 :: 25.199 CD2 :: 25.378 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 :: 6.753 HA :: 3.015 HB2 :: 0.782 HB3 :: 1.261 HG :: 1.060 HD11 :: 0.157 HD12 :: 0.157 HD13 :: 0.157 HD21 :: 0.465 HD22 :: 0.465 HD23 :: 0.465 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.305 Ave N Shift Values>> N :: 121.86(3.9) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.38 A 0.03 R 0.01 HN Overlap>> 1.T69 1.T69 C Shift Assignments>> C :: 178.133 CA :: 57.372 CB :: 41.562 CG :: 26.218 CD1 :: 21.624 CD2 :: 25.014 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 :: 8.420 HA :: 3.588 HB2 :: 1.139 HB3 :: 1.376 HG :: 1.168 HD11 :: 0.173 HD12 :: 0.173 HD13 :: 0.173 HD21 :: 0.408 HD22 :: 0.408 HD23 :: 0.408 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 :: 120.810 Ave N Shift Values>> N :: 121.86(3.9) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.44 R 0.06 HN Overlap>> 1.K61 1.K61 C Shift Assignments>> C :: 178.921 CA :: 60.505 CB :: 32.287 CG :: 24.953 CD :: 29.102 CE :: 41.987 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 :: 7.892 HA :: 3.947 HB2 :: 2.063 HB3 :: 1.828 HG2 :: 1.679 HG3 :: 1.550 HD2 :: 1.777 HE2 :: 3.041 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 :: 119.405 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 L 0.15 D 0.14 K 0.09 C 0.09 I 0.03 N 0.02 C Shift Assignments>> C :: 178.531 CA :: 56.928 CB :: 40.727 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 :: 7.628 HA :: 4.556 HB2 :: 2.825 HB3 :: 2.771 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 :: 119.063 Ave N Shift Values>> N :: 120.65(3.86) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.S29 1.S29 C Shift Assignments>> C :: 176.582 CA :: 66.536 CB :: 68.827 CG2 :: 20.803 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 :: 8.232 HA :: 3.980 HB :: 4.237 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.197 Ave N Shift Values>> N :: 115.42(4.75) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 HN Overlap>> 1.Q33 1.I85 1.Q33 1.I85 C Shift Assignments>> C :: 178.505 CA :: 61.101 CB :: 36.687 CD1 :: 132.174 CD2 :: 132.174 CE1 :: 117.308 CE2 :: 117.308 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 :: 8.420 HA :: 4.208 HB2 :: 3.052 HD1 :: 6.911 HD2 :: 6.911 HE1 :: 6.442 HE2 :: 6.442 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.480 Ave N Shift Values>> N :: 120.52(4.2) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.3 I 0.04 C 0.02 C Shift Assignments>> C :: 181.407 CA :: 55.392 CB :: 17.836 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.033 HA :: 4.032 HB1 :: 1.625 HB2 :: 1.625 HB3 :: 1.625 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.254 Ave N Shift Values>> N :: 123.23(3.54) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 I 0.11 K 0.09 Q 0.04 M 0.02 C Shift Assignments>> C :: 177.712 CA :: 58.342 CB :: 29.354 CG :: 36.258 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 :: 8.044 HA :: 4.126 HB2 :: 2.187 HG2 :: 2.386 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 :: 119.624 Ave N Shift Values>> N :: 120.67(3.48) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.35 A 0.12 C Shift Assignments>> C :: 176.078 CA :: 55.476 CB :: 33.179 CG :: 31.943 CE :: 16.786 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 :: 7.528 HA :: 4.489 HB2 :: 2.251 HB3 :: 2.116 HG2 :: 2.662 HG3 :: 2.581 HE1 :: 1.872 HE2 :: 1.872 HE3 :: 1.872 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 :: 115.918 Ave N Shift Values>> N :: 120.09(3.57) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.673 CA :: 45.506 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.864 HA2 :: 4.266 HA3 :: 3.832 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.976 Ave N Shift Values>> N :: 109.67(3.87) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.26 A 0.24 HN Overlap>> 1.K90 1.K90 C Shift Assignments>> C :: 175.817 CA :: 54.525 CB :: 32.664 CG :: 31.996 CE :: 17.176 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 :: 8.088 HA :: 4.728 HB2 :: 2.105 HB3 :: 1.932 HG2 :: 2.434 HG3 :: 2.362 HE1 :: 1.824 HE2 :: 1.824 HE3 :: 1.824 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.040 Ave N Shift Values>> N :: 120.09(3.57) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N70 1.N70 C Shift Assignments>> C :: 174.276 CA :: 59.649 CB :: 63.458 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.238 HA :: 4.293 HB2 :: 3.899 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.850 Ave N Shift Values>> N :: 116.28(3.52) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.13 D 0.08 Y 0.07 F 0.06 E 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 174.182 CA :: 53.229 CB :: 37.873 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 :: 8.690 HA :: 4.638 HB2 :: 2.713 HB3 :: 2.844 HD21 :: 7.569 HD22 :: 6.865 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.778 ND2 :: 113.025 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 HN Overlap>> 1.E36 1.E36 C Shift Assignments>> C :: 174.524 CA :: 57.583 CB :: 40.518 CD1 :: 131.511 CD2 :: 131.511 CE1 :: 130.796 CE2 :: 130.796 CZ :: 129.534 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 :: 7.902 HA :: 4.555 HB2 :: 2.950 HB3 :: 2.881 HD1 :: 6.874 HD2 :: 6.874 HE1 :: 6.951 HE2 :: 6.951 HZ :: 7.016 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 :: 121.110 Ave N Shift Values>> N :: 120.45(4.18) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.22 A 0.01 C Shift Assignments>> C :: 171.451 CA :: 58.659 CB :: 70.111 CG2 :: 20.894 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 :: 7.942 HA :: 4.392 HB :: 3.832 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.640 Ave N Shift Values>> N :: 115.42(4.75) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 176.919 CA :: 62.089 CB :: 32.123 CG :: 26.963 CD :: 50.618 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 :: 4.434 HB2 :: 1.839 HB3 :: 2.053 HG2 :: 1.782 HG3 :: 2.045 HD2 :: 3.321 HD3 :: 3.664 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 C Shift Assignments>> C :: 175.739 CA :: 60.143 CB :: 72.161 CG2 :: 21.591 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 :: 9.481 HA :: 4.537 HB :: 4.744 HG21 :: 1.347 HG22 :: 1.347 HG23 :: 1.347 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 :: 115.441 Ave N Shift Values>> N :: 115.42(4.75) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 179.179 CA :: 59.576 CB :: 31.878 CG :: 24.987 CD :: 29.047 CE :: 41.862 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 :: 8.818 HA :: 3.991 HB2 :: 1.921 HB3 :: 1.843 HG2 :: 1.567 HG3 :: 1.504 HD2 :: 1.725 HE2 :: 3.032 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 :: 119.755 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.28 E 0.27 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.023 CA :: 59.803 CB :: 28.990 CG :: 36.689 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 :: 8.233 HA :: 4.079 HB2 :: 1.966 HB3 :: 2.035 HG2 :: 2.393 HG3 :: 2.292 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 :: 119.612 Ave N Shift Values>> N :: 120.67(3.48) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.19 K 0.16 L 0.13 C 0.09 D 0.08 I 0.04 R 0.01 HN Overlap>> 1.A67 1.A67 C Shift Assignments>> C :: 179.324 CA :: 57.856 CB :: 41.124 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 :: 7.716 HA :: 4.437 HB2 :: 2.990 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 :: 119.813 Ave N Shift Values>> N :: 120.65(3.86) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 176.530 CA :: 66.859 CB :: 31.699 CG1 :: 20.902 CG2 :: 22.456 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 :: 7.805 HA :: 3.496 HB :: 2.229 HG11 :: 1.020 HG12 :: 1.020 HG13 :: 1.020 HG21 :: 0.918 HG22 :: 0.918 HG23 :: 0.918 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 :: 119.981 Ave N Shift Values>> N :: 121.14(4.54) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.06 HN Overlap>> 1.K42 1.E79 1.K42 1.E79 C Shift Assignments>> C :: 179.214 CA :: 59.676 CB :: 32.344 CG :: 24.848 CD :: 29.009 CE :: 41.814 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 :: 7.903 HA :: 4.060 HB2 :: 2.000 HG2 :: 1.613 HG3 :: 1.469 HD2 :: 1.724 HE2 :: 2.965 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 :: 119.336 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I62 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>> C :: 178.150 CA :: 64.486 CB :: 38.092 CG1 :: 29.440 CG2 :: 17.236 CD1 :: 12.899 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 :: 8.268 HA :: 3.806 HB :: 2.032 HG12 :: 1.768 HG13 :: 1.290 HG21 :: 1.005 HG22 :: 1.005 HG23 :: 1.005 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 :: 119.738 Ave N Shift Values>> N :: 121.46(4.28) 1.W63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.44 C Shift Assignments>> C :: 178.647 CA :: 62.931 CB :: 29.695 CD1 :: 127.875 CE3 :: 120.066 CZ2 :: 114.164 CZ3 :: 120.742 CH2 :: 122.363 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 :: 7.939 HA :: 4.163 HB2 :: 3.398 HB3 :: 3.320 HD1 :: 7.311 HE1 :: 10.160 HE3 :: 7.245 HZ2 :: 7.351 HZ3 :: 6.696 HH2 :: 6.707 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 :: 122.875 NE1 :: 128.968 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.39 R 0.08 G 0.01 C Shift Assignments>> C :: 178.184 CA :: 59.250 CB :: 42.386 CG :: 27.708 CD1 :: 25.262 CD2 :: 24.951 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 :: 9.029 HA :: 3.838 HB2 :: 2.037 HB3 :: 1.881 HG :: 1.735 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 HD21 :: 0.903 HD22 :: 0.903 HD23 :: 0.903 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 :: 119.076 Ave N Shift Values>> N :: 121.86(3.9) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 K 0.2 E 0.1 R 0.05 I 0.04 C Shift Assignments>> C :: 178.243 CA :: 58.607 CB :: 28.159 CG :: 34.385 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 :: 8.244 HA :: 3.986 HB2 :: 2.233 HB3 :: 2.119 HG2 :: 2.423 HG3 :: 2.615 HE21 :: 7.451 HE22 :: 6.803 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.899 NE2 :: 110.942 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.48 A 0.02 C Shift Assignments>> C :: 176.960 CA :: 57.370 CB :: 32.652 CG :: 31.398 CE :: 16.594 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.504 HA :: 4.119 HB2 :: 2.014 HB3 :: 1.955 HG2 :: 2.419 HG3 :: 2.566 HE1 :: 1.960 HE2 :: 1.960 HE3 :: 1.960 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.437 Ave N Shift Values>> N :: 120.09(3.57) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 L 0.07 C 0.04 M 0.03 HN Overlap>> 1.D59 1.D59 C Shift Assignments>> C :: 178.706 CA :: 52.846 CB :: 20.689 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.783 HA :: 4.059 HB1 :: 0.626 HB2 :: 0.626 HB3 :: 0.626 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.734 Ave N Shift Values>> N :: 123.23(3.54) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.26 L 0.08 F 0.07 C 0.07 Y 0.06 C Shift Assignments>> C :: 177.478 CA :: 53.080 CB :: 39.563 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 :: 8.486 HA :: 4.708 HB2 :: 2.379 HB3 :: 2.982 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.274 Ave N Shift Values>> N :: 120.65(3.86) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 176.152 CA :: 64.585 CB :: 68.761 CG2 :: 22.469 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 :: 8.356 HA :: 4.024 HB :: 4.284 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) N Shift Assignments>> N :: 120.827 Ave N Shift Values>> N :: 115.42(4.75) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.18 M 0.05 E 0.03 Y 0.03 D 0.02 F 0.02 HN Overlap>> 1.S51 1.S51 C Shift Assignments>> C :: 174.685 CA :: 51.614 CB :: 36.913 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 :: 8.151 HA :: 4.914 HB2 :: 3.305 HB3 :: 2.897 HD21 :: 7.934 HD22 :: 6.559 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.782 ND2 :: 112.243 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.092 CA :: 59.159 CB :: 61.561 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.757 HA :: 4.072 HB2 :: 4.118 HB3 :: 3.857 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 :: 112.577 Ave N Shift Values>> N :: 116.28(3.52) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.27 L 0.15 F 0.06 C 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 178.508 CA :: 52.600 CB :: 40.690 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.505 HA :: 4.738 HB2 :: 2.412 HB3 :: 3.125 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 :: 118.670 Ave N Shift Values>> N :: 120.65(3.86) 1.G73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.025 CA :: 45.596 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.609(S) HA2 :: 4.301 HA3 :: 3.528 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.058 Ave N Shift Values>> N :: 109.67(3.87) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 173.301 CA :: 56.926 CB :: 66.513 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.101 HA :: 5.064 HB2 :: 3.660 HB3 :: 3.582 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 :: 113.432 Ave N Shift Values>> N :: 116.28(3.52) 1.V75 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>> C :: 175.336 CA :: 61.367 CB :: 34.311 CG1 :: 21.169 CG2 :: 23.187 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 :: 9.080 HA :: 5.302 HB :: 2.203 HG11 :: 1.284 HG12 :: 1.284 HG13 :: 1.284 HG21 :: 1.045 HG22 :: 1.045 HG23 :: 1.045 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.431 Ave N Shift Values>> N :: 121.14(4.54) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.512 CA :: 56.818 CB :: 65.824 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.617 HA :: 5.012 HB2 :: 4.478 HB3 :: 4.136 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 :: 126.668 Ave N Shift Values>> N :: 116.28(3.52) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 L 0.32 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 178.115 CA :: 58.483 CB :: 40.100 CG :: 26.475 CD1 :: 22.632 CD2 :: 25.899 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 :: 8.361 HA :: 3.337 HB2 :: 1.466 HB3 :: 0.487 HG :: 1.392 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 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 :: 122.937 Ave N Shift Values>> N :: 121.86(3.9) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.33 E 0.24 K 0.03 C Shift Assignments>> C :: 179.330 CA :: 60.091 CB :: 28.994 CG :: 36.869 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.448 HA :: 4.019 HB2 :: 2.010 HG2 :: 2.318 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 :: 117.848 Ave N Shift Values>> N :: 120.67(3.48) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.33 I 0.2 K 0.03 M 0.01 HN Overlap>> 1.K61 1.K61 C Shift Assignments>> C :: 180.238 CA :: 58.560 CB :: 29.309 CG :: 37.160 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 :: 7.820 HA :: 4.182 HB2 :: 2.625 HB3 :: 2.392 HG2 :: 2.645 HG3 :: 2.538 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 :: 119.296 Ave N Shift Values>> N :: 120.67(3.48) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 176.828 CA :: 60.277 CB :: 38.763 CD1 :: 131.997 CD2 :: 131.997 CE1 :: 118.688 CE2 :: 118.688 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 :: 8.702 HA :: 4.481 HB2 :: 3.327 HD1 :: 7.217 HD2 :: 7.217 HE1 :: 7.222 HE2 :: 7.222 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 :: 123.746 Ave N Shift Values>> N :: 120.52(4.2) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.33 E 0.2 K 0.01 C Shift Assignments>> C :: 178.376 CA :: 60.583 CB :: 29.735 CG :: 37.237 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 :: 9.139 HA :: 3.384 HB2 :: 1.900 HB3 :: 2.186 HG2 :: 2.675 HG3 :: 1.813 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 :: 118.092 Ave N Shift Values>> N :: 120.67(3.48) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 K 0.15 L 0.15 D 0.11 C 0.09 I 0.03 R 0.01 N 0.01 C Shift Assignments>> C :: 178.279 CA :: 57.376 CB :: 41.062 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 :: 8.038 HA :: 4.336 HB2 :: 2.807 HB3 :: 2.591 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.914 Ave N Shift Values>> N :: 120.65(3.86) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.44 R 0.04 C Shift Assignments>> C :: 179.873 CA :: 58.221 CB :: 41.735 CG :: 26.572 CD1 :: 24.564 CD2 :: 25.985 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 :: 7.694 HA :: 4.033 HB2 :: 2.127 HB3 :: 1.638 HG :: 1.604 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.922 Ave N Shift Values>> N :: 121.86(3.9) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 I 0.22 C Shift Assignments>> C :: 179.043 CA :: 62.667 CB :: 35.277 CG1 :: 26.992 CG2 :: 16.974 CD1 :: 9.415 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 :: 8.058 HA :: 3.611 HB :: 2.061 HG12 :: 1.250 HG13 :: 0.850 HG21 :: 0.629 HG22 :: 0.629 HG23 :: 0.629 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) N Shift Assignments>> N :: 122.040 Ave N Shift Values>> N :: 121.46(4.28) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 HN Overlap>> 1.Q33 1.Q33 1.Y45 1.Y45 C Shift Assignments>> C :: 178.261 CA :: 64.748 CB :: 36.657 CG1 :: 28.445 CG2 :: 17.240 CD1 :: 11.607 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 :: 8.461 HA :: 3.413 HB :: 2.033 HG12 :: 1.468 HG13 :: 0.968 HG21 :: 0.749 HG22 :: 0.749 HG23 :: 0.749 HD11 :: 0.349 HD12 :: 0.349 HD13 :: 0.349 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 :: 121.494 Ave N Shift Values>> N :: 121.46(4.28) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.37 R 0.14 C Shift Assignments>> C :: 179.920 CA :: 59.542 CB :: 32.315 CG :: 26.096 CD :: 29.002 CE :: 41.970 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.350 HA :: 4.163 HB2 :: 1.944 HB3 :: 1.807 HG2 :: 1.638 HG3 :: 1.479 HD2 :: 1.662 HE2 :: 2.946 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 :: 119.357 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.727 CA :: 61.849 CB :: 62.625 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.123 HA :: 4.211 HB2 :: 4.065 HB3 :: 3.962 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.288 Ave N Shift Values>> N :: 116.28(3.52) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 L 0.28 R 0.01 A 0.01 C Shift Assignments>> C :: 178.801 CA :: 57.645 CB :: 40.849 CG :: 26.239 CD1 :: 22.644 CD2 :: 26.958 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 :: 8.139 HA :: 4.075 HB2 :: 1.969 HB3 :: 1.184 HG :: 1.958 HD11 :: 0.772 HD12 :: 0.772 HD13 :: 0.772 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.446 Ave N Shift Values>> N :: 121.86(3.9) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.2 K 0.2 E 0.18 I 0.05 R 0.02 C Shift Assignments>> C :: 180.584 CA :: 58.824 CB :: 28.702 CG :: 34.786 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 :: 8.293 HA :: 4.244 HB2 :: 2.058 HB3 :: 2.283 HG2 :: 2.605 HG3 :: 2.378 HE21 :: 7.414 HE22 :: 6.811 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.754 NE2 :: 111.363 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.12 HN Overlap>> 1.M50 1.M50 C Shift Assignments>> C :: 177.085 CA :: 58.197 CB :: 32.199 CE :: 41.695 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 :: 8.159 HA :: 4.114 HB2 :: 1.942 HG2 :: 1.522 HD2 :: 1.700 HE2 :: 2.946 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.960 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C 0.01 HN Overlap>> 1.V10 1.V10 C Shift Assignments>> C :: 177.304 CA :: 52.071 CB :: 18.618 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.515 HA :: 4.376 HB1 :: 1.524 HB2 :: 1.524 HB3 :: 1.524 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.415 Ave N Shift Values>> N :: 123.23(3.54) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.098 CA :: 45.289 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.872 HA2 :: 3.724 HA3 :: 4.168 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.362 Ave N Shift Values>> N :: 109.67(3.87) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 175.406 CA :: 59.739 CB :: 37.391 CG1 :: 27.948 CG2 :: 17.119 CD1 :: 11.932 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 :: 7.736 HA :: 3.964 HB :: 1.657 HG12 :: 1.206 HG13 :: 1.275 HG21 :: 0.731 HG22 :: 0.731 HG23 :: 0.731 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.351 Ave N Shift Values>> N :: 121.46(4.28) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 K 0.06 G 0.05 C Shift Assignments>> C :: 175.473 CA :: 56.364 CB :: 30.103 CG :: 27.316 CD :: 43.160 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 :: 8.396 HA :: 4.250 HB2 :: 1.798 HB3 :: 1.845 HG2 :: 1.669 HG3 :: 1.477 HD2 :: 3.257 HD3 :: 3.197 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 :: 127.385 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.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 HN Overlap>> 1.K3 1.K3 C Shift Assignments>> C :: 175.362 CA :: 61.924 CB :: 32.781 CG1 :: 20.053 CG2 :: 22.121 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 :: 8.303 HA :: 4.355 HB :: 2.076 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 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 :: 124.567 Ave N Shift Values>> N :: 121.14(4.54) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 M 0.28 Q 0.03 C Shift Assignments>> C :: 175.667 CA :: 55.439 CB :: 31.844 CG :: 36.230 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 :: 8.647 HA :: 4.605 HB2 :: 2.013 HB3 :: 1.871 HG2 :: 2.227 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 :: 125.537 Ave N Shift Values>> N :: 120.67(3.48) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.41 R 0.09 C Shift Assignments>> C :: 176.652 CA :: 56.607 CB :: 33.044 CG :: 25.248 CD :: 28.996 CE :: 41.814 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 :: 8.637 HA :: 4.198 HB2 :: 1.690 HB3 :: 1.621 HG2 :: 1.291 HG3 :: 1.184 HD2 :: 1.590 HE2 :: 2.911 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 :: 124.451 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.26 C 0.22 E 0.07 M 0.07 R 0.02 C Shift Assignments>> C :: 175.826 CA :: 55.458 CB :: 29.510 CG :: 33.921 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 :: 8.691 HA :: 4.300 HB2 :: 2.051 HB3 :: 1.861 HG2 :: 2.250 HE21 :: 7.415 HE22 :: 7.017 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.050 NE2 :: 112.767 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.992 CA :: 58.024 CB :: 63.614 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.418 HA :: 4.421 HB2 :: 3.808 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 :: 117.597 Ave N Shift Values>> N :: 116.28(3.52) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.27 R 0.04 G 0.02 A 0.02 C Shift Assignments>> C :: 176.525 CA :: 55.078 CB :: 42.499 CG :: 27.019 CD1 :: 23.487 CD2 :: 25.000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.296 HA :: 4.369 HB2 :: 1.619 HB3 :: 1.511 HG :: 1.574 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 HD21 :: 0.909 HD22 :: 0.909 HD23 :: 0.909 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.226 Ave N Shift Values>> N :: 121.86(3.9) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 174.633 CA :: 62.076 CB :: 33.072 CG1 :: 20.355 CG2 :: 21.148 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 :: 7.957 HA :: 4.059 HB :: 1.963 HG11 :: 0.844 HG12 :: 0.844 HG13 :: 0.844 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 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 :: 120.897 Ave N Shift Values>> N :: 121.14(4.54) 1.F102 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 :: 180.207 CA :: 58.955 CB :: 40.497 CD1 :: 131.961 CD2 :: 131.961 CE1 :: 131.099 CE2 :: 131.099 CZ :: 129.424 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 :: 7.779 HA :: 4.443 HB2 :: 3.139 HB3 :: 2.934 HD1 :: 7.214 HD2 :: 7.214 HE1 :: 7.319 HE2 :: 7.319 HZ :: 7.267 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 :: 129.028 Ave N Shift Values>> N :: 120.45(4.18) 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 99 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 101 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 102 #Suspicious: 0 C Shift Results: #Consistent: 457 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 676 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 106 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D25 HB2 = 1.832(S), Expected = 2.72, Std = 0.2600, ChiSquare = 6.3692e-04 1.G30 H = 11.167(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.2735e-05 1.G73 H = 10.609(S), Expected = 8.33, Std = 0.6500, ChiSquare = 4.5463e-04