Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.45 C 0.39 A 0.14 C Shift Assignments>> CA :: 55.633 CB :: 33.407 CG :: 32.219 CE :: 17.212 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.514 HB2 :: 2.129 HB3 :: 2.129 HG2 :: 2.609 HG3 :: 2.545 HE1 :: 2.048 HE2 :: 2.048 HE3 :: 2.048 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.373 CA :: 45.588 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.562 HA2 :: 3.893 HA3 :: 3.975 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.549 Ave N Shift Values>> N :: 109.91(4.29) 1.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.178 CA :: 60.412 CB :: 40.069 CG1 :: 27.388 CG2 :: 17.427 CD1 :: 13.987 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.812 HA :: 4.277 HB :: 1.757 HG12 :: 1.372 HG13 :: 1.058 HG21 :: 0.815 HG22 :: 0.815 HG23 :: 0.815 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.920 Ave N Shift Values>> N :: 121.6(4.72) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.422 CA :: 62.693 CB :: 69.282 CG2 :: 21.913 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.404 HA :: 4.247 HB :: 3.963 HG21 :: 1.082 HG22 :: 1.082 HG23 :: 1.082 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.757 Ave N Shift Values>> N :: 115.7(5.05) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 174.937 CA :: 60.036 CB :: 37.408 CG1 :: 27.063 CG2 :: 18.626 CD1 :: 13.459 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.000 HA :: 4.034 HB :: 1.919 HG12 :: 1.556 HG13 :: 1.204 HG21 :: 0.761 HG22 :: 0.761 HG23 :: 0.761 HD11 :: 0.849 HD12 :: 0.849 HD13 :: 0.849 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.848 Ave N Shift Values>> N :: 121.6(4.72) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.24 C Shift Assignments>> C :: 174.444 CA :: 59.221 CB :: 71.085 CG2 :: 22.150 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.995 HA :: 4.549 HB :: 4.678 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.144 Ave N Shift Values>> N :: 115.7(5.05) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.24 C 0.21 I 0.1 D 0.05 E 0.03 L 0.03 N 0.02 C Shift Assignments>> C :: 177.457 CA :: 57.778 CB :: 39.025 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.215 HA :: 4.195 HB2 :: 2.680 HB3 :: 2.680 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.546 Ave N Shift Values>> N :: 120.73(4.2) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.31 E 0.19 K 0.01 C Shift Assignments>> C :: 179.078 CA :: 60.693 CB :: 29.144 CG :: 37.322 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.611 HA :: 4.070 HB2 :: 2.037 HB3 :: 1.886 HG2 :: 2.247 HG3 :: 2.360 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.847 Ave N Shift Values>> N :: 120.68(3.68) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.32 R 0.13 G 0.04 C Shift Assignments>> C :: 177.578 CA :: 57.779 CB :: 42.894 CG :: 27.058 CD1 :: 25.010 CD2 :: 25.553 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.642 HA :: 4.059 HB2 :: 1.701 HB3 :: 1.626 HG :: 1.550 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.873 Ave N Shift Values>> N :: 121.98(4.07) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.44 K 0.08 C Shift Assignments>> C :: 179.785 CA :: 57.753 CB :: 40.325 CG :: 26.092 CD2 :: 23.549 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.424 HA :: 3.801 HB2 :: 1.758 HB3 :: 0.862 HG :: 1.823 HD11 :: 0.667 HD12 :: 0.667 HD13 :: 0.667 HD21 :: 0.667 HD22 :: 0.667 HD23 :: 0.667 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.272 Ave N Shift Values>> N :: 121.98(4.07) 1.W11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 C Shift Assignments>> C :: 177.903 CA :: 61.273 CB :: 29.303 CD1 :: 127.635 CE3 :: 120.320 CZ2 :: 115.675 CZ3 :: 121.887 CH2 :: 124.211 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.760 HA :: 4.188 HB2 :: 3.072 HB3 :: 3.144 HD1 :: 7.062 HE1 :: 10.220 HE3 :: 7.444 HZ2 :: 7.554 HZ3 :: 7.046 HH2 :: 7.200 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.500 NE1 :: 128.413 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.03 C 0.03 C Shift Assignments>> CA :: 55.074 CB :: 18.181 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.944 HA :: 4.194 HB1 :: 1.550 HB2 :: 1.550 HB3 :: 1.550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.448 Ave N Shift Values>> N :: 123.23(3.7) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 180.531 CA :: 65.071 CB :: 37.491 CG1 :: 29.863 CG2 :: 18.221 CD1 :: 13.145 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.819 HA :: 3.560 HB :: 2.204 HG12 :: 0.426 HG13 :: 0.426 HG21 :: 0.548 HG22 :: 0.548 HG23 :: 0.548 HD11 :: 0.619 HD12 :: 0.619 HD13 :: 0.619 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.891 Ave N Shift Values>> N :: 121.6(4.72) 1.L14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 L 0.4 A 0.04 R 0.01 C Shift Assignments>> C :: 179.489 CA :: 57.737 CB :: 41.574 CG :: 25.694 CD1 :: 24.598 CD2 :: 20.924 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.761 HA :: 3.802 HB2 :: 1.732 HB3 :: 0.835 HG :: 1.360 HD11 :: -0.671(S) HD12 :: -0.671(S) HD13 :: -0.671(S) HD21 :: -0.046 HD22 :: -0.046 HD23 :: -0.046 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.794 Ave N Shift Values>> N :: 121.98(4.07) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.34 R 0.27 M 0.02 HN Overlap>> 1.T72 1.T72 C Shift Assignments>> C :: 174.952 CA :: 57.038 CB :: 32.364 CG :: 26.116 CD :: 29.562 CE :: 41.986 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.851 HA :: 4.341 HB2 :: 2.165 HB3 :: 2.165 HG2 :: 1.556 HG3 :: 1.852 HD2 :: 1.640 HD3 :: 1.640 HE2 :: 2.798 HE3 :: 2.798 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.783 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 C 0.15 Y 0.15 F 0.15 N 0.13 L 0.1 K 0.03 I 0.01 HN Overlap>> 1.I62 1.I62 C Shift Assignments>> C :: 174.327 CA :: 55.364 CB :: 39.865 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.881 HA :: 4.453 HB2 :: 3.201 HB3 :: 2.401 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.105 Ave N Shift Values>> N :: 120.73(4.2) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.12 K 0.05 I 0.05 Q 0.03 HN Overlap>> 1.Y55 1.Y55 C Shift Assignments>> C :: 176.834 CA :: 57.011 CB :: 30.686 CG :: 36.337 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.144 HA :: 4.240 HB2 :: 2.020 HB3 :: 1.869 HG2 :: 2.087 HG3 :: 2.087 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.625 Ave N Shift Values>> N :: 120.68(3.68) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.22 G 0.18 R 0.08 C Shift Assignments>> C :: 177.683 CA :: 54.094 CB :: 43.895 CG :: 27.573 CD1 :: 24.792 CD2 :: 24.980 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.835 HA :: 4.394 HB2 :: 1.366 HB3 :: 1.018 HG :: 1.545 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: 0.612 HD22 :: 0.612 HD23 :: 0.612 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.204 Ave N Shift Values>> N :: 121.98(4.07) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.703 CA :: 58.361 CB :: 64.804 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.281 HA :: 4.205 HB2 :: 4.238 HB3 :: 4.238 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.827 Ave N Shift Values>> N :: 116.3(3.95) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 C 0.18 I 0.08 L 0.07 D 0.06 K 0.04 N 0.01 C Shift Assignments>> C :: 176.841 CA :: 57.885 CB :: 40.025 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.939 HA :: 3.909 HB2 :: 2.584 HB3 :: 2.526 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.863 Ave N Shift Values>> N :: 120.73(4.2) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.37 I 0.03 C 0.03 C Shift Assignments>> C :: 180.764 CA :: 55.148 CB :: 18.235 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.201 HA :: 3.852 HB1 :: 1.239 HB2 :: 1.239 HB3 :: 1.239 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.252 Ave N Shift Values>> N :: 123.23(3.7) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.3 I 0.24 M 0.02 K 0.01 C Shift Assignments>> C :: 178.217 CA :: 58.912 CB :: 30.467 CG :: 37.841 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.683 HA :: 3.727 HB2 :: 1.770 HB3 :: 2.032 HG2 :: 2.071 HG3 :: 2.135 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.877 Ave N Shift Values>> N :: 120.68(3.68) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.24 I 0.06 C 0.02 C Shift Assignments>> C :: 177.931 CA :: 55.474 CB :: 17.203 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.348 HA :: 3.689 HB1 :: 1.128 HB2 :: 1.128 HB3 :: 1.128 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.009 Ave N Shift Values>> N :: 123.23(3.7) 1.N24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.23 Y 0.21 F 0.16 N 0.13 D 0.09 E 0.07 I 0.03 L 0.03 M 0.01 C Shift Assignments>> C :: 175.273 CA :: 55.956 CB :: 38.410 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.824 HA :: 3.712 HB2 :: 1.141(S) HB3 :: 1.920 HD21 :: 6.516 HD22 :: 6.541 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.176 ND2 :: 110.254 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 179.945 CA :: 54.773 CB :: 17.903 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.997 HA :: 3.370 HB1 :: 1.221 HB2 :: 1.221 HB3 :: 1.221 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.111 Ave N Shift Values>> N :: 123.23(3.7) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.31 R 0.11 G 0.04 C Shift Assignments>> C :: 177.986 CA :: 57.923 CB :: 42.888 CG :: 26.879 CD1 :: 25.505 CD2 :: 24.818 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.229 HA :: 4.008 HB2 :: 1.353 HB3 :: 1.724 HG :: 1.669 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 HD21 :: 0.758 HD22 :: 0.758 HD23 :: 0.758 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.099 Ave N Shift Values>> N :: 121.98(4.07) 1.V27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.507 CA :: 66.562 CB :: 30.907 CG1 :: 22.404 CG2 :: 22.939 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.834 HA :: 3.291 HB :: 1.779 HG11 :: -0.209(S) HG12 :: -0.209(S) HG13 :: -0.209(S) HG21 :: 0.597 HG22 :: 0.597 HG23 :: 0.597 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.329 Ave N Shift Values>> N :: 121.02(4.96) 1.W28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 W 0.2 C Shift Assignments>> C :: 178.494 CA :: 58.166 CB :: 28.441 CD1 :: 121.697 CE3 :: 120.940 CZ2 :: 113.726 CH2 :: 124.589 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.920 HA :: 4.236 HB2 :: 3.321 HB3 :: 2.554 HD1 :: 6.257 HE1 :: 10.141 HE3 :: 7.196 HZ2 :: 6.524 HZ3 :: 6.671 HH2 :: 6.865 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.987 NE1 :: 127.936 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.2 K 0.2 E 0.19 I 0.05 R 0.02 M 0.02 C Shift Assignments>> C :: 179.956 CA :: 58.895 CB :: 28.910 CG :: 34.531 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.193 HA :: 4.321 HB2 :: 2.313 HB3 :: 2.203 HG2 :: 2.426 HG3 :: 2.723 HE21 :: 7.280 HE22 :: 6.839 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.212 NE2 :: 109.982 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.34 I 0.04 C 0.02 C Shift Assignments>> C :: 179.011 CA :: 55.201 CB :: 17.952 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.835 HA :: 3.842 HB1 :: 0.856 HB2 :: 0.856 HB3 :: 0.856 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.144 Ave N Shift Values>> N :: 123.23(3.7) 1.L31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.44 C 0.26 G 0.2 A 0.03 R 0.03 C Shift Assignments>> CA :: 56.144 CB :: 43.981 CG :: 25.800 CD1 :: 25.847 CD2 :: 22.343 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.379 HA :: 4.074 HB2 :: 1.993 HB3 :: 1.123 HG :: 1.091 HD11 :: -0.276(S) HD12 :: -0.276(S) HD13 :: -0.276(S) HD21 :: -0.071 HD22 :: -0.071 HD23 :: -0.071 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.485 Ave N Shift Values>> N :: 121.98(4.07) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 174.191 CA :: 45.033 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.483 HA2 :: 3.515 HA3 :: 4.145 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.504 Ave N Shift Values>> N :: 109.91(4.29) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 176.414 CA :: 60.732 CB :: 39.087 CE1 :: 117.569 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.849 HA :: 3.976 HB2 :: 2.806 HB3 :: 2.471 HD1 :: 6.783 HD2 :: 6.783 HE1 :: 6.220 HE2 :: 6.220 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.901 Ave N Shift Values>> N :: 120.79(4.69) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.41 I 0.01 C Shift Assignments>> C :: 173.714 CA :: 61.909 CB :: 36.895 CG1 :: 21.228 CG2 :: 21.793 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.025 HA :: 4.562 HB :: 1.957 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.044 Ave N Shift Values>> N :: 121.02(4.96) 1.W35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.56 C 0.43 C Shift Assignments>> C :: 174.018 CA :: 56.342 CB :: 29.068 CD1 :: 127.063 CE3 :: 120.654 CZ2 :: 113.469 CH2 :: 124.133 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.125 HA :: 4.107 HB2 :: 2.660 HB3 :: 1.866(S) HD1 :: 6.746 HE1 :: 10.015 HE3 :: 6.182 HZ2 :: 7.106 HH2 :: 6.684 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 130.919 NE1 :: 128.313 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 C 0.12 N 0.08 K 0.08 R 0.08 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 174.734 CA :: 52.188 CB :: 42.230 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.128 HA :: 4.362 HB2 :: 1.901 HB3 :: 2.792 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 129.727 Ave N Shift Values>> N :: 120.73(4.2) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.09 I 0.09 M 0.07 Q 0.06 C Shift Assignments>> C :: 177.616 CA :: 58.339 CB :: 30.051 CG :: 35.921 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.282 HA :: 3.710 HB2 :: 2.043 HB3 :: 1.939 HG2 :: 2.305 HG3 :: 2.305 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.853 Ave N Shift Values>> N :: 120.68(3.68) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 179.512 CA :: 54.584 CB :: 18.459 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.914 HA :: 4.035 HB1 :: 1.359 HB2 :: 1.359 HB3 :: 1.359 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.068 Ave N Shift Values>> N :: 123.23(3.7) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 M 0.19 E 0.17 K 0.13 C Shift Assignments>> C :: 174.486 CA :: 54.817 CB :: 30.445 CG :: 34.549 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.437 HA :: 4.136 HB2 :: 2.023 HB3 :: 1.425 HG2 :: 2.018 HG3 :: 2.200 HE21 :: 7.397 HE22 :: 6.664 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.262 NE2 :: 111.998 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.588 CA :: 57.996 CB :: 61.344 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.489 HA :: 3.202 HB2 :: 3.954 HB3 :: 3.776 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.808 Ave N Shift Values>> N :: 116.3(3.95) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 C 0.16 M 0.15 W 0.13 E 0.12 Q 0.11 K 0.1 C Shift Assignments>> C :: 170.901 CA :: 55.078 CB :: 30.954 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.462 HA :: 4.450 HB2 :: 2.944 HB3 :: 2.569 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 112.394 Ave N Shift Values>> N :: 119.95(4.79) 1.W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 W 0.38 C Shift Assignments>> C :: 176.512 CA :: 57.085 CB :: 30.322 CD1 :: 127.296 CE3 :: 119.339 CZ2 :: 115.691 CZ3 :: 123.697 CH2 :: 125.214 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.804 HA :: 4.888 HB2 :: 3.238 HB3 :: 3.053 HD1 :: 7.429 HE1 :: 10.051 HE3 :: 7.374 HZ2 :: 7.089 HZ3 :: 6.959 HH2 :: 7.242 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.933 NE1 :: 130.280 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.38 R 0.13 M 0.02 C Shift Assignments>> C :: 179.217 CA :: 55.451 CB :: 33.406 CG :: 24.851 CD :: 28.899 CE :: 41.837 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 10.043 HA :: 4.821 HB2 :: 2.029 HB3 :: 2.008 HG2 :: 1.506 HG3 :: 1.402 HD2 :: 1.630 HD3 :: 1.630 HE2 :: 2.811 HE3 :: 2.925 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.607 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.72 C 0.21 T 0.05 C Shift Assignments>> CA :: 60.990 CB :: 64.811 CG2 :: 22.394 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.999 HA :: 4.415 HB :: 4.339 HG21 :: 1.242 HG22 :: 1.242 HG23 :: 1.242 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.831 Ave N Shift Values>> N :: 115.7(5.05) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 C 0.16 L 0.11 K 0.1 D 0.1 I 0.04 N 0.01 R 0.01 C Shift Assignments>> C :: 176.705 CA :: 57.300 CB :: 40.510 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.390 HA :: 4.150 HB2 :: 2.627 HB3 :: 2.494 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.411 Ave N Shift Values>> N :: 120.73(4.2) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.25 A 0.09 R 0.04 C Shift Assignments>> C :: 176.152 CA :: 54.093 CB :: 41.391 CG :: 27.013 CD1 :: 25.620 CD2 :: 22.505 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.600 HA :: 4.400 HB2 :: 1.835 HB3 :: 1.694 HG :: 1.553 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.226 Ave N Shift Values>> N :: 121.98(4.07) 1.V47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.370 CA :: 61.400 CB :: 32.280 CG1 :: 20.725 CG2 :: 22.564 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.260 HA :: 4.045 HB :: 1.633 HG11 :: -0.207(S) HG12 :: -0.207(S) HG13 :: -0.207(S) HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.679 Ave N Shift Values>> N :: 121.02(4.96) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 C 0.01 C Shift Assignments>> CA :: 51.572 CB :: 18.123 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.252 HA :: 4.546 HB1 :: 1.719 HB2 :: 1.719 HB3 :: 1.719 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.487 Ave N Shift Values>> N :: 123.23(3.7) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.256 CA :: 66.201 CB :: 32.179 CG :: 27.832 CD :: 50.814 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.076 HB2 :: 2.308 HB3 :: 1.933 HG2 :: 2.203 HG3 :: 1.991 HD2 :: 3.863 HD3 :: 3.923 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.29 I 0.21 K 0.09 Q 0.03 C Shift Assignments>> C :: 177.668 CA :: 59.093 CB :: 28.548 CG :: 36.245 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.199 HA :: 3.965 HB2 :: 1.839 HB3 :: 1.839 HG2 :: 2.080 HG3 :: 2.036 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.212 Ave N Shift Values>> N :: 120.68(3.68) 1.W51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 176.425 CA :: 60.373 CB :: 30.228 CD1 :: 126.954 CE3 :: 120.116 CZ2 :: 114.560 CZ3 :: 121.110 CH2 :: 121.690 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.671 HA :: 4.383 HB2 :: 3.436 HB3 :: 3.067 HD1 :: 7.144 HE1 :: 10.330 HE3 :: 7.575 HZ2 :: 7.214 HZ3 :: 6.686 HH2 :: 6.998 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.564 NE1 :: 129.090 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 G 0.14 K 0.03 C Shift Assignments>> C :: 176.588 CA :: 58.886 CB :: 30.178 CG :: 26.964 CD :: 43.832 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.966 HA :: 3.858 HB2 :: 1.714 HB3 :: 1.464 HG2 :: 1.617 HG3 :: 1.415 HD2 :: 3.204 HD3 :: 3.035 HE :: 6.937 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.209 NE :: 84.452 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.13 R 0.05 I 0.03 M 0.02 C Shift Assignments>> C :: 176.381 CA :: 58.287 CB :: 28.394 CG :: 34.136 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.875 HA :: 3.909 HB2 :: 1.986 HB3 :: 1.846 HG2 :: 2.242 HG3 :: 2.242 HE21 :: 7.318 HE22 :: 6.697 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.422 NE2 :: 111.361 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.2 K 0.14 D 0.12 C 0.1 F 0.06 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 175.234 CA :: 55.449 CB :: 42.686 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.924 HA :: 4.274 HB2 :: 2.015 HB3 :: 1.861 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.210 Ave N Shift Values>> N :: 120.73(4.2) 1.Y55 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.T68 1.T68 1.E17 1.E17 C Shift Assignments>> CA :: 55.990 CB :: 38.594 CD1 :: 133.831 CE1 :: 117.766 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.036 HA :: 4.853 HB2 :: 3.098 HB3 :: 2.884 HD1 :: 7.045 HD2 :: 7.045 HE1 :: 6.574 HE2 :: 6.574 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.642 Ave N Shift Values>> N :: 120.79(4.69) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.09 C Shift Assignments>> CA :: 64.785 CB :: 31.846 CG :: 27.405 CD :: 49.851 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.340 HB2 :: 1.945 HB3 :: 2.304 HG2 :: 1.959 HG3 :: 1.959 HD2 :: 3.694 HD3 :: 3.140 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 E 0.24 M 0.09 K 0.05 Q 0.01 C Shift Assignments>> CA :: 52.283 CB :: 30.006 CG :: 36.775 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.997 HA :: 4.058 HB2 :: 1.499 HB3 :: 1.558 HG2 :: 2.186 HG3 :: 2.206 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 112.847 Ave N Shift Values>> N :: 120.68(3.68) 1.P58 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Indeterminable PRTL>> C 0.76 G 0.2 L 0.03 C Shift Assignments>> CA :: 59.803 CB :: 26.197(A) CG :: 24.962 CD :: 47.643 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 2.880(S) HB2 :: -1.501(A) HB3 :: -1.751(A) HG2 :: -1.224(A) HG3 :: -1.454(A) HD2 :: 1.463(S) HD3 :: 1.541(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.73 P 0.22 G 0.03 C Shift Assignments>> C :: 173.799 CA :: 60.742 CB :: 31.883 CG :: 26.230 CD :: 48.393 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.934 HB2 :: 0.422(S) HB3 :: 1.047 HG2 :: 0.398(S) HG3 :: 0.418(S) HD2 :: 2.349(S) HD3 :: 2.933 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.29 C 0.12 L 0.11 F 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 175.195 CA :: 52.239 CB :: 40.512 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.081 HA :: 4.361 HB2 :: 2.841 HB3 :: 2.341 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.139 Ave N Shift Values>> N :: 120.73(4.2) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 F 0.37 C 0.17 C Shift Assignments>> C :: 175.238 CA :: 62.066 CB :: 39.153 CD1 :: 132.049 CE1 :: 131.775 CZ :: 129.134 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.678 HA :: 3.808 HB2 :: 3.102 HB3 :: 2.943 HD1 :: 7.110 HD2 :: 7.110 HE1 :: 7.010 HE2 :: 7.010 HZ :: 6.329 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.995 Ave N Shift Values>> N :: 120.69(4.18) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.25 HN Overlap>> 1.D16 1.D16 C Shift Assignments>> C :: 177.157 CA :: 63.849 CB :: 38.142 CG1 :: 31.452 CG2 :: 19.075 CD1 :: 14.303 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.870 HA :: 3.477 HB :: 1.855 HG12 :: 1.528 HG13 :: 0.753 HG21 :: 0.792 HG22 :: 0.792 HG23 :: 0.792 HD11 :: 0.750 HD12 :: 0.750 HD13 :: 0.750 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.093 Ave N Shift Values>> N :: 121.6(4.72) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.19 L 0.05 C 0.05 C Shift Assignments>> C :: 177.685 CA :: 52.413 CB :: 20.613 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.492 HA :: 4.195 HB1 :: 1.212 HB2 :: 1.212 HB3 :: 1.212 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.842 Ave N Shift Values>> N :: 123.23(3.7) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.832 CA :: 56.248 CB :: 62.874 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.662 HA :: 4.664 HB2 :: 3.851 HB3 :: 3.624 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.479 Ave N Shift Values>> N :: 116.3(3.95) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.23 G 0.21 L 0.07 K 0.03 C Shift Assignments>> CA :: 60.746 CB :: 27.510 CG :: 27.620 CD :: 43.497 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.125 HA :: 4.125 HB2 :: 1.962 HB3 :: 1.856 HG2 :: 1.609 HG3 :: 1.541 HD2 :: 3.169 HD3 :: 3.127 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 129.428 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.2 C Shift Assignments>> CA :: 66.298 CB :: 30.895 CG :: 28.434 CD :: 49.789 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.200 HB2 :: 2.246 HB3 :: 1.741 HG2 :: 2.040 HG3 :: 2.040 HD2 :: 4.018 HD3 :: 4.018 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.3 I 0.05 C 0.03 C Shift Assignments>> CA :: 55.508 CB :: 18.156 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.646 HA :: 4.118 HB1 :: 1.064 HB2 :: 1.064 HB3 :: 1.064 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.384 Ave N Shift Values>> N :: 123.23(3.7) 1.T68 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.Y55 1.Y55 C Shift Assignments>> CA :: 67.674 CB :: 68.059 CG2 :: 22.711 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.010 HA :: 4.164 HB :: 4.406 HG21 :: 1.369 HG22 :: 1.369 HG23 :: 1.369 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.735 Ave N Shift Values>> N :: 115.7(5.05) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.807 CA :: 67.150 CB :: 31.712 CG1 :: 23.177 CG2 :: 21.029 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.545 HA :: 3.664 HB :: 2.109 HG11 :: 0.999 HG12 :: 0.999 HG13 :: 0.999 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.058 Ave N Shift Values>> N :: 121.02(4.96) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.34 R 0.24 G 0.01 M 0.01 C Shift Assignments>> C :: 179.490 CA :: 59.966 CB :: 32.867 CG :: 25.466 CD :: 29.985 CE :: 42.337 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.706 HA :: 3.854 HB2 :: 1.827 HB3 :: 1.948 HG2 :: 1.226 HG3 :: 0.720 HD2 :: 1.373 HD3 :: 0.945 HE2 :: 2.395 HE3 :: 2.395 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.112 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 L 0.39 R 0.1 G 0.03 HN Overlap>> 1.N109 1.L111 1.N109 1.L111 C Shift Assignments>> C :: 180.351 CA :: 58.394 CB :: 42.349 CG :: 26.914 CD1 :: 21.859 CD2 :: 24.949 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.514 HA :: 4.159 HB2 :: 1.848 HB3 :: 1.726 HG :: 1.123 HD11 :: -0.687(S) HD12 :: -0.687(S) HD13 :: -0.687(S) HD21 :: -0.193(S) HD22 :: -0.193(S) HD23 :: -0.193(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.824 Ave N Shift Values>> N :: 121.98(4.07) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.K15 1.K15 C Shift Assignments>> C :: 176.928 CA :: 67.330 CB :: 69.026 CG2 :: 21.853 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.749 HA :: 3.841 HB :: 4.429 HG21 :: 1.329 HG22 :: 1.329 HG23 :: 1.329 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.825 Ave N Shift Values>> N :: 115.7(5.05) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.13 K 0.06 C Shift Assignments>> C :: 176.508 CA :: 58.491 CB :: 30.271 CG :: 28.142 CD :: 43.819 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.167 HA :: 4.141 HB2 :: 1.843 HB3 :: 1.944 HG2 :: 1.847 HG3 :: 1.679 HD2 :: 3.071 HD3 :: 3.071 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.428 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.514 CA :: 59.540 CB :: 64.455 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.793 HA :: 4.563 HB2 :: 4.298 HB3 :: 4.550 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.354 Ave N Shift Values>> N :: 116.3(3.95) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> CA :: 60.544 CB :: 39.330 CG1 :: 29.862 CG2 :: 16.943 CD1 :: 13.767 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.494 HA :: 4.178 HB :: 1.937 HG12 :: 2.498 HG13 :: 0.890 HG21 :: 0.807 HG22 :: 0.807 HG23 :: 0.807 HD11 :: 1.046 HD12 :: 1.046 HD13 :: 1.046 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.248 Ave N Shift Values>> N :: 121.6(4.72) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> CA :: 63.079 CB :: 33.182 CG :: 28.090 CD :: 51.756 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.330 HB2 :: 2.295 HB3 :: 1.490 HG2 :: 2.050 HG3 :: 2.012 HD2 :: 3.478 HD3 :: 3.478 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.76 I 0.14 A 0.06 C 0.02 C Shift Assignments>> CA :: 56.781 CB :: 16.224 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.788 HA :: 4.081 HB1 :: 1.418 HB2 :: 1.418 HB3 :: 1.418 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.496 Ave N Shift Values>> N :: 123.23(3.7) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 177.079 CA :: 64.926 CB :: 31.106 CG :: 27.600 CD :: 50.325 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.371 HB2 :: 2.109 HB3 :: 1.063 HG2 :: 1.236 HG3 :: 1.656 HD2 :: 3.083 HD3 :: 3.546 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 Y 0.4 C Shift Assignments>> C :: 175.961 CA :: 53.326 CB :: 38.078 CD1 :: 130.826 CE1 :: 118.495 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.980 HA :: 5.072 HB2 :: 3.435 HB3 :: 2.675 HD1 :: 6.786 HD2 :: 6.786 HE1 :: 6.709 HE2 :: 6.709 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.058 Ave N Shift Values>> N :: 120.79(4.69) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.34 R 0.25 G 0.01 C Shift Assignments>> C :: 176.539 CA :: 59.238 CB :: 33.161 CG :: 25.856 CD :: 29.181 CE :: 42.457 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.386 HA :: 3.987 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 1.511 HG3 :: 1.614 HD2 :: 1.661 HD3 :: 1.661 HE2 :: 2.962 HE3 :: 3.030 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.665 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.25 R 0.08 E 0.05 M 0.04 HN Overlap>> 1.R100 1.R100 C Shift Assignments>> C :: 176.344 CA :: 54.382 CB :: 28.319 CG :: 33.648 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.585 HA :: 4.845 HB2 :: 2.460 HB3 :: 1.755 HG2 :: 2.159 HG3 :: 2.294 HE21 :: 7.498 HE22 :: 6.773 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.263 NE2 :: 112.044 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.4 R 0.08 G 0.01 C Shift Assignments>> C :: 178.955 CA :: 58.483 CB :: 42.125 CG :: 26.615 CD1 :: 25.496 CD2 :: 21.799 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.148 HA :: 4.006 HB2 :: 1.817 HB3 :: 1.357 HG :: 1.923 HD11 :: 0.502 HD12 :: 0.502 HD13 :: 0.502 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.517 Ave N Shift Values>> N :: 121.98(4.07) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.37 R 0.11 G 0.01 C Shift Assignments>> C :: 177.512 CA :: 58.906 CB :: 42.081 CG :: 27.103 CD1 :: 24.825 CD2 :: 25.665 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.342 HA :: 3.565 HB2 :: 1.500 HB3 :: 1.712 HG :: 1.516 HD11 :: 0.611 HD12 :: 0.611 HD13 :: 0.611 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.656 Ave N Shift Values>> N :: 121.98(4.07) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 178.622 CA :: 58.825 CB :: 33.631 CG :: 25.068 CD :: 29.348 CE :: 42.293 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.217 HA :: 4.019 HB2 :: 1.789 HB3 :: 1.789 HG2 :: 1.282 HG3 :: 1.197 HD2 :: 1.502 HD3 :: 1.560 HE2 :: 2.857 HE3 :: 2.857 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.778 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 I 0.13 M 0.07 K 0.02 Q 0.01 C Shift Assignments>> C :: 177.134 CA :: 59.151 CB :: 30.979 CG :: 36.658 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.354 HA :: 3.876 HB2 :: 1.946 HB3 :: 1.873 HG2 :: 2.175 HG3 :: 2.314 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.781 Ave N Shift Values>> N :: 120.68(3.68) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.37 I 0.09 M 0.09 K 0.01 C Shift Assignments>> CA :: 58.129 CB :: 31.153 CG :: 36.981 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.026 HA :: 4.397 HB2 :: 1.965 HB3 :: 1.880 HG2 :: 2.207 HG3 :: 1.893 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.269 Ave N Shift Values>> N :: 120.68(3.68) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.27 R 0.07 A 0.04 G 0.01 C Shift Assignments>> CA :: 55.217 CB :: 42.271 CG :: 26.852 CD1 :: 25.374 CD2 :: 22.637 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.656 HA :: 4.496 HB2 :: 1.635 HB3 :: 1.580 HG :: 1.373 HD11 :: 0.209 HD12 :: 0.209 HD13 :: 0.209 HD21 :: 0.311 HD22 :: 0.311 HD23 :: 0.311 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.004 Ave N Shift Values>> N :: 121.98(4.07) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 174.479 CA :: 46.178 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.198 HA2 :: 4.156 HA3 :: 3.943 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.788 Ave N Shift Values>> N :: 109.91(4.29) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.34 C 0.27 C Shift Assignments>> C :: 174.342 CA :: 57.039 CB :: 39.508 CD1 :: 132.215 CE1 :: 131.415 CZ :: 130.219 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.934 HA :: 4.742 HB2 :: 2.396 HB3 :: 2.396 HD1 :: 7.076 HD2 :: 7.076 HE1 :: 6.903 HE2 :: 6.903 HZ :: 5.608 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.853 Ave N Shift Values>> N :: 120.69(4.18) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> CA :: 52.335 CB :: 19.441 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.605 HA :: 3.933 HB1 :: 1.188 HB2 :: 1.188 HB3 :: 1.188 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.620 Ave N Shift Values>> N :: 123.23(3.7) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.28 L 0.26 G 0.23 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.631 CA :: 43.977 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 2.876 HA3 :: 4.015 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 175.961 CA :: 58.114 CB :: 39.617 CD1 :: 133.157 CE1 :: 118.800 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.165 HA :: 4.601 HB2 :: 3.134 HB3 :: 2.556 HD1 :: 7.230 HD2 :: 7.230 HE1 :: 6.889 HE2 :: 6.889 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.686 Ave N Shift Values>> N :: 120.79(4.69) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.360 CA :: 58.255 CB :: 63.991 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.943 HA :: 4.361 HB2 :: 4.005 HB3 :: 3.899 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.706 Ave N Shift Values>> N :: 116.3(3.95) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 176.513 CA :: 63.406 CB :: 38.550 CG1 :: 28.197 CG2 :: 17.562 CD1 :: 13.559 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.326 HA :: 3.931 HB :: 1.854 HG12 :: 1.436 HG13 :: 1.224 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.051 Ave N Shift Values>> N :: 121.6(4.72) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.2 Y 0.13 D 0.13 F 0.1 E 0.04 L 0.03 M 0.01 I 0.01 C Shift Assignments>> C :: 175.193 CA :: 54.447 CB :: 38.341 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.154 HA :: 4.531 HB2 :: 2.768 HB3 :: 2.682 HD21 :: 7.575 HD22 :: 6.920 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.362 ND2 :: 113.174 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 M 0.16 K 0.03 I 0.02 Q 0.01 C Shift Assignments>> C :: 175.300 CA :: 55.733 CB :: 31.046 CG :: 36.641 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.815 HA :: 4.329 HB2 :: 2.011 HB3 :: 2.011 HG2 :: 2.112 HG3 :: 2.182 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.379 Ave N Shift Values>> N :: 120.68(3.68) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 K 0.26 C 0.23 R 0.01 C Shift Assignments>> C :: 175.977 CA :: 55.751 CB :: 41.564 CG :: 26.466 CD2 :: 24.547 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.394 HA :: 4.018 HB2 :: 1.617 HB3 :: 1.520 HG :: 1.569 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.933 Ave N Shift Values>> N :: 121.98(4.07) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.39 A 0.01 C Shift Assignments>> CA :: 58.764 CB :: 32.885 CG1 :: 22.159 CG2 :: 19.613 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.461 HA :: 4.608 HB :: 2.213 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.416 Ave N Shift Values>> N :: 121.02(4.96) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.524 CA :: 66.100 CB :: 31.488 CG :: 27.700 CD :: 50.745 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.314 HB2 :: 2.166 HB3 :: 1.888 HG2 :: 2.108 HG3 :: 2.108 HD2 :: 3.759 HD3 :: 3.841 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.38 K 0.13 G 0.03 HN Overlap>> 1.Q81 1.Q81 C Shift Assignments>> C :: 177.744 CA :: 60.412 CB :: 30.100 CG :: 27.660 CD :: 42.575 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.594 HA :: 3.857 HB2 :: 1.567 HB3 :: 1.776 HG2 :: 1.325 HG3 :: 1.374 HD2 :: 3.149 HD3 :: 3.149 HE :: 8.067 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.241 NE :: 83.266 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.3 K 0.29 G 0.01 C Shift Assignments>> C :: 179.125 CA :: 59.630 CB :: 31.761 CG :: 26.641 CD :: 29.030 CE :: 42.070 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.134 HA :: 4.001 HB2 :: 1.318 HB3 :: 1.618 HG2 :: 1.330 HG3 :: 1.158 HD2 :: 1.260 HD3 :: 1.424 HE2 :: 2.646 HE3 :: 2.646 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.892 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.707 CA :: 66.349 CB :: 68.225 CG2 :: 22.503 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.134 HA :: 4.104 HB :: 4.315 HG21 :: 1.259 HG22 :: 1.259 HG23 :: 1.259 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.278 Ave N Shift Values>> N :: 115.7(5.05) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 G 0.37 R 0.18 I 0.02 K 0.01 L 0.01 C Shift Assignments>> CA :: 60.586 CB :: 29.336 CD :: 44.368 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.643 HA :: 4.060 HB2 :: 1.887 HB3 :: 2.042 HD2 :: 2.909 HD3 :: 3.290 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.024 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 R 0.15 G 0.15 K 0.08 C Shift Assignments>> CA :: 59.820 CB :: 30.915 CG :: 30.919 CD :: 43.390 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.825 HA :: 4.176 HB2 :: 1.729 HB3 :: 1.677 HG2 :: 1.229 HG3 :: 1.229 HD2 :: 2.734 HD3 :: 2.734 HE :: 7.450 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.290 NE :: 84.337 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.16 I 0.09 C 0.02 C Shift Assignments>> CA :: 56.009 CB :: 17.055 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.437 HA :: 3.901 HB1 :: 1.579 HB2 :: 1.579 HB3 :: 1.579 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.360 Ave N Shift Values>> N :: 123.23(3.7) 1.T106 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 :: 67.355 CB :: 68.245 CG2 :: 22.422 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.221 HA :: 3.952 HB :: 4.288 HG21 :: 1.243 HG22 :: 1.243 HG23 :: 1.243 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.311 Ave N Shift Values>> N :: 115.7(5.05) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.33 I 0.12 HN Overlap>> 1.L112 1.L112 C Shift Assignments>> CA :: 59.892 CB :: 34.807 CG :: 31.331 CE :: 17.027 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.026 HA :: 3.566 HB2 :: 2.044 HB3 :: 2.044 HG2 :: 1.637 HG3 :: 2.404 HE1 :: 1.681 HE2 :: 1.681 HE3 :: 1.681 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.528 Ave N Shift Values>> N :: 120.1(3.88) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 68.189 CB :: 67.197 CG2 :: 22.539 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.723 HA :: 3.556 HB :: 4.160 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.312 Ave N Shift Values>> N :: 115.7(5.05) 1.N109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 F 0.21 C 0.18 D 0.14 L 0.08 N 0.06 I 0.04 K 0.02 E 0.01 HN Overlap>> 1.L111 1.L71 1.L111 1.L71 C Shift Assignments>> CA :: 56.443 CB :: 39.661 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.478 HA :: 4.274 HB2 :: 3.080 HB3 :: 2.651 HD21 :: 7.156 HD22 :: 7.024 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.890 ND2 :: 109.394 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.69 C 0.3 C Shift Assignments>> CA :: 63.490 CB :: 28.823 CD1 :: 127.588 CE3 :: 119.450 CZ2 :: 115.238 CZ3 :: 121.413 CH2 :: 123.852 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.985 HA :: 3.763 HB2 :: 3.423 HB3 :: 2.885 HD1 :: 7.036 HE1 :: 9.805 HE3 :: 6.930 HZ2 :: 7.314 HZ3 :: 6.351 HH2 :: 6.355 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.272 NE1 :: 129.500 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.36 K 0.17 G 0.05 R 0.01 HN Overlap>> 1.N109 1.N109 1.L71 1.L71 C Shift Assignments>> C :: 178.648 CA :: 58.178 CB :: 42.922 CG :: 27.700 CD2 :: 22.787 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.515 HA :: 3.918 HB2 :: 1.200 HB3 :: 2.083 HG :: 1.989 HD11 :: 0.766 HD12 :: 0.766 HD13 :: 0.766 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.809 Ave N Shift Values>> N :: 121.98(4.07) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.35 R 0.2 G 0.03 HN Overlap>> 1.M107 1.M107 C Shift Assignments>> C :: 178.873 CA :: 57.989 CB :: 42.647 CG :: 27.175 CD1 :: 25.954 CD2 :: 26.296 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.092 HA :: 3.737 HB2 :: 1.225 HB3 :: 2.028 HG :: 1.494 HD11 :: 0.578 HD12 :: 0.578 HD13 :: 0.578 HD21 :: 0.609 HD22 :: 0.609 HD23 :: 0.609 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.572 Ave N Shift Values>> N :: 121.98(4.07) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.46 C 0.03 I 0.02 C Shift Assignments>> C :: 178.794 CA :: 54.615 CB :: 18.491 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.817 HA :: 3.348 HB1 :: 1.349 HB2 :: 1.349 HB3 :: 1.349 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.188 Ave N Shift Values>> N :: 123.23(3.7) 1.Y114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 178.193 CA :: 61.082 CB :: 37.834 CD1 :: 132.902 CE1 :: 118.671 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.509 HA :: 3.577 HB2 :: 2.609 HB3 :: 1.704 HD1 :: 6.684 HD2 :: 6.684 HE1 :: 6.754 HE2 :: 6.754 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.148 Ave N Shift Values>> N :: 120.79(4.69) 1.R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.39 R 0.11 C Shift Assignments>> C :: 178.190 CA :: 59.371 CB :: 30.998 CG :: 25.683 CD :: 45.212 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.298 HA :: 3.806 HB2 :: 1.721 HB3 :: 1.989 HG2 :: 1.621 HG3 :: 1.749 HD2 :: 3.311 HD3 :: 3.001 HE :: 7.761 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.324 NE :: 82.616 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 C 0.3 K 0.27 L 0.08 G 0.01 C Shift Assignments>> C :: 178.143 CA :: 57.400 CB :: 29.206 CG :: 26.769 CD :: 42.160 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.389 HA :: 3.917 HB2 :: 1.560 HB3 :: 1.438 HG2 :: 1.331 HG3 :: 1.076 HD2 :: 2.940 HD3 :: 2.855 HE :: 7.136 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.260 NE :: 83.922 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.542 CA :: 60.173 CB :: 63.566 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.722 HA :: 4.332 HB2 :: 3.893 HB3 :: 3.844 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.132 Ave N Shift Values>> N :: 116.3(3.95) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.24 C 0.24 E 0.1 M 0.06 R 0.05 C Shift Assignments>> C :: 175.617 CA :: 55.855 CB :: 29.180 CG :: 33.736 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.264 HA :: 4.083 HB2 :: 1.796 HB3 :: 2.035 HG2 :: 1.952 HG3 :: 1.952 HE21 :: 6.805 HE22 :: 6.686 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.638 NE2 :: 112.863 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.19 M 0.14 E 0.13 R 0.02 C Shift Assignments>> C :: 174.549 CA :: 55.688 CB :: 30.051 CG :: 33.952 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.657 HA :: 4.280 HB2 :: 2.101 HB3 :: 1.936 HG2 :: 2.319 HG3 :: 2.319 HE21 :: 7.413 HE22 :: 6.745 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.245 NE2 :: 112.002 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.15 D 0.12 C 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> CA :: 56.030 CB :: 42.173 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.799 HA :: 4.328 HB2 :: 2.628 HB3 :: 2.512 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.842 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 111 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 119 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 0 C Shift Results: #Consistent: 512 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 855 #Duplicate: 0 #Unknown: 0 #Suspicious: 27 #Anomalous: 4 N Shift Results: #Consistent: 130 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L14 HD11 = -0.671(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4478e-08 1.L14 HD12 = -0.671(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4478e-08 1.L14 HD13 = -0.671(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4478e-08 1.N24 HB2 = 1.141(S), Expected = 2.80, Std = 0.3400, ChiSquare = 1.0640e-06 1.V27 HG11 = -0.209(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.0225e-04 1.V27 HG12 = -0.209(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.0225e-04 1.V27 HG13 = -0.209(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.0225e-04 1.L31 HD11 = -0.276(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0703e-04 1.L31 HD12 = -0.276(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0703e-04 1.L31 HD13 = -0.276(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0703e-04 1.W35 HB3 = 1.866(S), Expected = 3.18, Std = 0.3600, ChiSquare = 2.6224e-04 1.V47 HG11 = -0.207(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.0541e-04 1.V47 HG12 = -0.207(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.0541e-04 1.V47 HG13 = -0.207(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.0541e-04 1.P58 Typing: Mistyped 1.P58 CB = 26.197(A), Expected = 31.81, Std = 1.5400, ChiSquare = 2.6759e-04 1.P58 HA = 2.880(S), Expected = 4.41, Std = 0.3600, ChiSquare = 2.1377e-05 1.P58 HB2 = -1.501(A), Expected = 2.05, Std = 0.3900, ChiSquare = 8.6165e-20 1.P58 HB3 = -1.751(A), Expected = 2.05, Std = 0.3900, ChiSquare = 1.9159e-22 1.P58 HG2 = -1.224(A), Expected = 1.93, Std = 0.3600, ChiSquare = 1.9334e-18 1.P58 HG3 = -1.454(A), Expected = 1.92, Std = 0.3700, ChiSquare = 7.5877e-20 1.P58 HD2 = 1.463(S), Expected = 3.64, Std = 0.3600, ChiSquare = 1.4736e-09 1.P58 HD3 = 1.541(S), Expected = 3.63, Std = 0.4000, ChiSquare = 1.7652e-07 1.P59 HB2 = 0.422(S), Expected = 2.05, Std = 0.3900, ChiSquare = 2.9883e-05 1.P59 HG2 = 0.398(S), Expected = 1.93, Std = 0.3600, ChiSquare = 2.0853e-05 1.P59 HG3 = 0.418(S), Expected = 1.92, Std = 0.3700, ChiSquare = 4.9186e-05 1.P59 HD2 = 2.349(S), Expected = 3.64, Std = 0.3600, ChiSquare = 3.3565e-04 1.L71 HD11 = -0.687(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.8031e-08 1.L71 HD12 = -0.687(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.8031e-08 1.L71 HD13 = -0.687(S), Expected = 0.77, Std = 0.2700, ChiSquare = 6.8031e-08 1.L71 HD21 = -0.193(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.6511e-04 1.L71 HD22 = -0.193(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.6511e-04 1.L71 HD23 = -0.193(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.6511e-04