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: Consistent PRTL>> M 0.4 C 0.33 Q 0.14 K 0.07 E 0.03 R 0.01 C Shift Assignments>> C :: 175.845 CA :: 55.330 CB :: 32.560 CG :: 31.710 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 :: 8.218 HA :: 4.446 HB2 :: 2.031 HB3 :: 1.917 HG2 :: 2.460 HG3 :: 2.388 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 :: 108.800 Ave N Shift Values>> N :: 120.1(3.88) 1.S2 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 :: 58.060 CB :: 63.700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.311 HA :: 4.385 HB2 :: 3.812 HB3 :: 3.762 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 :: 117.811 Ave N Shift Values>> N :: 116.3(3.95) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.14 M 0.03 C Shift Assignments>> C :: 175.199 CA :: 56.170 CB :: 33.410 CG :: 25.030 CD :: 29.440 CE :: 41.510 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 :: 8.414 HA :: 4.359 HB2 :: 1.486 HB3 :: 1.486 HG2 :: 1.137 HG3 :: 1.089 HD2 :: 1.276 HD3 :: 1.276 HE2 :: 2.328 HE3 :: 2.292 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 :: 123.708 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.31 K 0.25 M 0.01 G 0.01 C Shift Assignments>> C :: 174.306 CA :: 55.260 CB :: 36.050 CG :: 25.450 CD :: 29.840 CE :: 42.190 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 :: 8.667 HA :: 5.307 HB2 :: 1.903 HB3 :: 1.787 HG2 :: 1.324 HG3 :: 1.211 HD2 :: 1.568 HD3 :: 1.542 HE2 :: 2.835 HE3 :: 2.786 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 :: 123.739 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 G 0.24 C 0.22 R 0.09 C Shift Assignments>> C :: 175.081 CA :: 54.490 CB :: 44.240 CG :: 27.120 CD1 :: 26.560 CD2 :: 24.160 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 :: 9.468 HA :: 5.099 HB2 :: 1.145 HB3 :: 1.069 HG :: 1.288 HD11 :: 0.174 HD12 :: 0.174 HD13 :: 0.174 HD21 :: 0.334 HD22 :: 0.334 HD23 :: 0.334 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 :: 130.340 Ave N Shift Values>> N :: 121.98(4.07) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.38 A 0.05 C Shift Assignments>> C :: 173.681 CA :: 57.860 CB :: 40.110 CG1 :: 26.030 CG2 :: 18.070 CD1 :: 15.870 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 :: 8.696 HA :: 5.724 HB :: 2.173 HG12 :: 1.486 HG13 :: 1.222 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 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 :: 117.831 Ave N Shift Values>> N :: 121.6(4.72) 1.A7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 G 0.26 L 0.19 A 0.1 P 0.09 M 0.03 K 0.02 C Shift Assignments>> C :: 173.423 CA :: 48.890 CB :: 23.580 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.384 HA :: 6.022(S) HB1 :: 1.065 HB2 :: 1.065 HB3 :: 1.065 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.917 Ave N Shift Values>> N :: 123.23(3.7) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.38 L 0.07 A 0.03 C Shift Assignments>> C :: 175.845 CA :: 53.570 CB :: 46.890 CG :: 28.050 CD1 :: 27.770 CD2 :: 24.000 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 :: 8.203 HA :: 5.367 HB2 :: 0.987 HB3 :: 0.987 HG :: 1.288 HD11 :: 0.454 HD12 :: 0.454 HD13 :: 0.454 HD21 :: 0.188 HD22 :: 0.188 HD23 :: 0.188 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 :: 123.765 Ave N Shift Values>> N :: 121.98(4.07) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 C 0.14 E 0.14 Q 0.13 M 0.11 K 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 173.348 CA :: 56.220 CB :: 30.650 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.949 HA :: 5.842 HB2 :: 2.700 HB3 :: 2.634 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 :: 123.686 Ave N Shift Values>> N :: 119.95(4.79) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 A 0.25 C 0.16 M 0.11 K 0.04 C Shift Assignments>> C :: 174.898 CA :: 51.480 CB :: 22.770 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.246 HA :: 5.323 HB1 :: 1.125 HB2 :: 1.125 HB3 :: 1.125 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.400 Ave N Shift Values>> N :: 123.23(3.7) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.16 Q 0.15 E 0.15 C 0.13 K 0.1 M 0.07 I 0.01 HN Overlap>> 1.E35 1.E35 C Shift Assignments>> CA :: 56.260 CB :: 30.080 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.287 HA :: 4.818 HB2 :: 3.003 HB3 :: 2.871 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 :: 121.256 Ave N Shift Values>> N :: 119.95(4.79) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.061 CA :: 64.180 CB :: 31.590 CG :: 27.000 CD :: 51.120 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 :: 4.492 HB2 :: 2.149 HB3 :: 2.037 HG2 :: 2.001 HG3 :: 1.955 HD2 :: 3.949 HD3 :: 3.382 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.M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.37 Q 0.11 K 0.04 E 0.02 C Shift Assignments>> C :: 175.726 CA :: 55.910 CB :: 32.180 CG :: 32.460 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 :: 8.849 HA :: 4.478 HB2 :: 2.420 HB3 :: 2.035 HG2 :: 1.895 HG3 :: 1.895 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 :: 117.836 Ave N Shift Values>> N :: 120.1(3.88) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> CA :: 46.150 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.182 HA2 :: 3.977 HA3 :: 3.977 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.274 Ave N Shift Values>> N :: 109.91(4.29) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.53 C 0.31 R 0.1 G 0.03 C Shift Assignments>> C :: 178.546 CA :: 57.080 CB :: 42.740 CG :: 27.130 CD1 :: 24.970 CD2 :: 23.870 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>> HA :: 3.991 HB2 :: 1.598 HB3 :: 1.346 HG :: 1.510 HD11 :: 0.687 HD12 :: 0.687 HD13 :: 0.687 HD21 :: 0.739 HD22 :: 0.739 HD23 :: 0.739 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) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 C 0.02 I 0.02 C Shift Assignments>> C :: 179.730 CA :: 54.530 CB :: 18.130 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.702 HA :: 3.764 HB1 :: 1.218 HB2 :: 1.218 HB3 :: 1.218 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.508 Ave N Shift Values>> N :: 123.23(3.7) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 H 0.49 C Shift Assignments>> C :: 176.824 CA :: 58.500 CB :: 30.900 CD2 :: 119.762 CE1 :: 138.500 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.984 HA :: 4.351 HB2 :: 3.251 HB3 :: 3.151 HD2 :: 6.986 HE1 :: 7.841 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.064 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.393 CA :: 64.770 CB :: 69.790 CG2 :: 22.830 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 :: 7.990 HA :: 3.907 HB :: 4.063 HG1 :: 5.113 HG21 :: 1.067 HG22 :: 1.067 HG23 :: 1.067 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 :: 112.512 Ave N Shift Values>> N :: 115.7(5.05) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.33 C 0.27 C Shift Assignments>> C :: 177.847 CA :: 60.460 CB :: 38.370 CD1 :: 131.093 CE1 :: 131.243 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 :: 7.471 HA :: 4.303 HB2 :: 3.157 HB3 :: 3.157 HD1 :: 7.178 HD2 :: 7.178 HE1 :: 7.267 HE2 :: 7.267 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 :: 120.193 Ave N Shift Values>> N :: 120.69(4.18) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.47 C Shift Assignments>> C :: 179.063 CA :: 59.000 CB :: 32.500 CG :: 32.500 CE :: 17.127 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 :: 8.284 HA :: 4.121 HB2 :: 2.728 HB3 :: 2.600 HG2 :: 2.085 HG3 :: 2.011 HE1 :: 2.069 HE2 :: 2.069 HE3 :: 2.069 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 :: 118.990 Ave N Shift Values>> N :: 120.1(3.88) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.31 C 0.04 I 0.03 V 0.02 L 0.01 C Shift Assignments>> C :: 178.030 CA :: 55.630 CB :: 19.010 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.159 HA :: 3.764 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.535 Ave N Shift Values>> N :: 123.23(3.7) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.3 I 0.05 C 0.03 V 0.01 C Shift Assignments>> C :: 179.407 CA :: 55.580 CB :: 18.340 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.032 HA :: 3.806 HB1 :: 1.334 HB2 :: 1.334 HB3 :: 1.334 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.629 Ave N Shift Values>> N :: 123.23(3.7) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.22 E 0.12 R 0.06 I 0.03 M 0.01 C Shift Assignments>> C :: 177.944 CA :: 58.770 CB :: 28.300 CG :: 34.080 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 :: 8.255 HA :: 3.868 HB2 :: 1.921 HB3 :: 1.921 HG2 :: 2.237 HG3 :: 2.151 HE21 :: 7.496 HE22 :: 6.706 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 :: 117.414 NE2 :: 112.117 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.42 C 0.04 I 0.01 V 0.01 L 0.01 C Shift Assignments>> C :: 181.614 CA :: 54.990 CB :: 19.290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.675 HA :: 4.089 HB1 :: 1.484 HB2 :: 1.484 HB3 :: 1.484 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.403 Ave N Shift Values>> N :: 123.23(3.7) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.33 R 0.11 G 0.04 C Shift Assignments>> C :: 177.502 CA :: 58.220 CB :: 42.790 CG :: 26.780 CD1 :: 25.610 CD2 :: 22.830 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 :: 8.097 HA :: 3.720 HB2 :: 1.797 HB3 :: 0.855 HG :: 1.624 HD11 :: 0.532 HD12 :: 0.532 HD13 :: 0.532 HD21 :: 0.610 HD22 :: 0.610 HD23 :: 0.610 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 :: 118.376 Ave N Shift Values>> N :: 121.98(4.07) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.29 I 0.27 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.578 CA :: 60.500 CB :: 29.580 CG :: 36.100 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 :: 8.279 HA :: 3.682 HB2 :: 2.035 HB3 :: 2.035 HG2 :: 2.081 HG3 :: 2.081 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 :: 119.518 Ave N Shift Values>> N :: 120.68(3.68) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.2 K 0.05 M 0.03 Q 0.02 C Shift Assignments>> C :: 179.450 CA :: 59.500 CB :: 29.810 CG :: 36.400 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 :: 8.203 HA :: 3.886 HB2 :: 2.033 HB3 :: 1.959 HG2 :: 2.436 HG3 :: 2.189 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 :: 116.402 Ave N Shift Values>> N :: 120.68(3.68) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.42 C 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 180.279 CA :: 54.530 CB :: 19.070 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.639 HA :: 4.159 HB1 :: 1.290 HB2 :: 1.290 HB3 :: 1.290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.240 Ave N Shift Values>> N :: 123.23(3.7) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.32 C 0.04 I 0.03 V 0.02 L 0.01 C Shift Assignments>> C :: 179.343 CA :: 55.580 CB :: 19.200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.607 HA :: 3.904 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.009 Ave N Shift Values>> N :: 123.23(3.7) 1.V30 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 181.754(A) CA :: 66.550 CB :: 31.590 CG1 :: 20.980 CG2 :: 23.230 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 :: 8.595 HA :: 4.057 HB :: 2.129 HG11 :: 0.965 HG12 :: 0.965 HG13 :: 0.965 HG21 :: 1.159 HG22 :: 1.159 HG23 :: 1.159 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 :: 119.498 Ave N Shift Values>> N :: 121.02(4.96) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.22 K 0.06 Q 0.02 M 0.02 HN Overlap>> 1.A104 1.A104 C Shift Assignments>> C :: 177.567 CA :: 59.630 CB :: 29.410 CG :: 36.350 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 :: 7.902 HA :: 4.021 HB2 :: 2.107 HB3 :: 2.065 HG2 :: 2.392 HG3 :: 2.298 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 :: 122.324 Ave N Shift Values>> N :: 120.68(3.68) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.17 C 0.01 HN Overlap>> 1.R78 1.R78 C Shift Assignments>> C :: 176.652 CA :: 51.930 CB :: 18.750 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.536 HA :: 4.466 HB1 :: 1.688 HB2 :: 1.688 HB3 :: 1.688 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.000 Ave N Shift Values>> N :: 123.23(3.7) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.402 CA :: 45.520 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.853 HA2 :: 4.039 HA3 :: 3.700 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.033 Ave N Shift Values>> N :: 109.91(4.29) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 177.416 CA :: 58.080 CB :: 38.910 CD1 :: 133.580 CE1 :: 117.212 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 :: 8.255 HA :: 4.379 HB2 :: 2.818 HB3 :: 2.416 HD1 :: 6.903 HD2 :: 6.903 HE1 :: 6.492 HE2 :: 6.492 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 :: 119.151 Ave N Shift Values>> N :: 120.79(4.69) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 M 0.14 K 0.04 I 0.03 Q 0.03 HN Overlap>> 1.C11 1.C11 C Shift Assignments>> C :: 176.125 CA :: 56.450 CB :: 30.870 CG :: 36.350 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 :: 8.287 HA :: 4.494 HB2 :: 1.999 HB3 :: 1.931 HG2 :: 2.346 HG3 :: 2.195 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 :: 121.256 Ave N Shift Values>> N :: 120.68(3.68) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.32 I 0.02 C Shift Assignments>> C :: 174.424 CA :: 59.910 CB :: 35.590 CG1 :: 20.920 CG2 :: 23.190 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 :: 8.671 HA :: 5.724 HB :: 1.716 HG11 :: 0.891 HG12 :: 0.891 HG13 :: 0.891 HG21 :: 0.817 HG22 :: 0.817 HG23 :: 0.817 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 :: 123.880 Ave N Shift Values>> N :: 121.02(4.96) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.4 K 0.13 G 0.01 C Shift Assignments>> C :: 174.155 CA :: 57.220 CB :: 36.690 CG :: 26.070 CD :: 29.900 CE :: 42.370 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 :: 7.669 HA :: 4.373 HB2 :: 1.666 HB3 :: 1.624 HG2 :: 1.360 HG3 :: 1.019 HD2 :: 1.602 HD3 :: 1.406 HE2 :: 2.734 HE3 :: 2.594 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 :: 127.348 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 175.253 CA :: 59.540 CB :: 40.150 CG1 :: 27.470 CG2 :: 16.980 CD1 :: 14.430 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 :: 8.584 HA :: 5.103 HB :: 1.771 HG12 :: 1.466 HG13 :: 0.867 HG21 :: 0.681 HG22 :: 0.681 HG23 :: 0.681 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 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 :: 124.837 Ave N Shift Values>> N :: 121.6(4.72) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 E 0.16 M 0.15 C Shift Assignments>> C :: 176.168 CA :: 54.580 CB :: 32.860 CG :: 37.610 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 :: 8.975 HA :: 5.051 HB2 :: 2.718 HB3 :: 1.738 HG2 :: 2.332 HG3 :: 1.722 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 :: 132.245 Ave N Shift Values>> N :: 120.68(3.68) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 C 0.44 C Shift Assignments>> C :: 173.660 CA :: 58.540 CB :: 70.890 CG2 :: 23.060 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 :: 8.495 HA :: 5.369 HB :: 4.027 HG21 :: 0.975 HG22 :: 0.975 HG23 :: 0.975 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 :: 115.816 Ave N Shift Values>> N :: 115.7(5.05) 1.Q41 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.27 M 0.22 Q 0.21 K 0.2 R 0.05 E 0.03 C Shift Assignments>> C :: 174.962 CA :: 53.940 CB :: 30.210 CG :: 32.750 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 :: 8.399 HA :: 5.127 HB2 :: 2.067 HB3 :: 1.877 HG2 :: 2.438 HG3 :: 2.225 HE21 :: 9.179(A) HE22 :: 6.754 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 :: 117.930 NE2 :: 111.600 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.758 CA :: 44.510 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.312 HA2 :: 4.808 HA3 :: 3.886 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.405 Ave N Shift Values>> N :: 109.91(4.29) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.01 C Shift Assignments>> C :: 178.116 CA :: 54.390 CB :: 18.190 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.515 HA :: 4.103 HB1 :: 1.336 HB2 :: 1.336 HB3 :: 1.336 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.065 Ave N Shift Values>> N :: 123.23(3.7) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.27 C 0.13 L 0.06 Y 0.06 F 0.05 C Shift Assignments>> C :: 175.812 CA :: 52.660 CB :: 39.650 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 :: 8.990 HA :: 4.578 HB2 :: 2.758 HB3 :: 2.624 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 :: 112.849 Ave N Shift Values>> N :: 120.73(4.2) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.19 R 0.15 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.733 CA :: 44.560 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.631 HA2 :: 4.415 HA3 :: 3.806 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.115 Ave N Shift Values>> N :: 109.91(4.29) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.308 CA :: 60.840 CB :: 40.170 CG1 :: 27.970 CG2 :: 17.350 CD1 :: 13.460 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 :: 8.177 HA :: 4.840 HB :: 1.638 HG12 :: 1.682 HG13 :: 0.903 HG21 :: 0.813 HG22 :: 0.813 HG23 :: 0.813 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 :: 119.915 Ave N Shift Values>> N :: 121.6(4.72) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 C 0.26 Q 0.22 E 0.1 K 0.09 C Shift Assignments>> C :: 174.402 CA :: 54.510 CB :: 31.060 CG :: 33.990 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 :: 9.141 HA :: 4.634 HB2 :: 2.017 HB3 :: 2.017 HG2 :: 2.247 HG3 :: 2.215 HE21 :: 7.306 HE22 :: 6.655 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 :: 126.645 NE2 :: 111.717 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.27 E 0.07 Y 0.07 M 0.05 D 0.04 F 0.03 K 0.01 C Shift Assignments>> C :: 172.336 CA :: 53.100 CB :: 36.930 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 :: 8.786 HA :: 4.159 HB2 :: 3.345 HB3 :: 2.863 HD21 :: 7.595 HD22 :: 6.829 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 :: 120.550 ND2 :: 113.817 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 K 0.11 G 0.09 C Shift Assignments>> C :: 178.073 CA :: 56.790 CB :: 31.130 CG :: 27.620 CD :: 43.610 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 :: 7.557 HA :: 3.762 HB2 :: 1.520 HB3 :: 1.520 HG2 :: 1.440 HG3 :: 1.360 HD2 :: 3.077 HD3 :: 3.077 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 :: 113.968 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.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.24 R 0.08 A 0.02 G 0.02 C Shift Assignments>> C :: 177.470 CA :: 54.510 CB :: 42.450 CG :: 26.920 CD1 :: 25.520 CD2 :: 23.380 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 :: 9.597 HA :: 4.558 HB2 :: 1.811 HB3 :: 1.224 HG :: 2.360 HD11 :: 1.061 HD12 :: 1.061 HD13 :: 1.061 HD21 :: 0.917 HD22 :: 0.917 HD23 :: 0.917 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 :: 128.310 Ave N Shift Values>> N :: 121.98(4.07) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 C 0.26 C Shift Assignments>> C :: 174.790 CA :: 59.650 CB :: 72.130 CG2 :: 21.580 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 :: 9.530 HA :: 4.357 HB :: 4.658 HG1 :: 5.194 HG21 :: 1.220 HG22 :: 1.220 HG23 :: 1.220 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 :: 116.663 Ave N Shift Values>> N :: 115.7(5.05) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 180.710 CA :: 55.150 CB :: 17.770 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.705 HA :: 3.949 HB1 :: 1.344 HB2 :: 1.344 HB3 :: 1.344 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.375 Ave N Shift Values>> N :: 123.23(3.7) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.23 Q 0.21 R 0.13 E 0.04 I 0.02 M 0.01 P 0.01 HN Overlap>> 1.E101 1.E101 C Shift Assignments>> C :: 177.158 CA :: 58.880 CB :: 27.640 CG :: 33.300 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 :: 8.089 HA :: 3.959 HB2 :: 1.969 HB3 :: 1.783 HG2 :: 2.267 HG3 :: 2.267 HE21 :: 7.717 HE22 :: 6.696 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 :: 118.922 NE2 :: 112.417 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>> K 0.22 F 0.15 L 0.15 C 0.12 R 0.12 Y 0.11 D 0.06 I 0.02 C Shift Assignments>> C :: 178.288 CA :: 57.700 CB :: 41.850 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 :: 7.664 HA :: 4.061 HB2 :: 3.053 HB3 :: 2.402 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 :: 119.438 Ave N Shift Values>> N :: 120.73(4.2) 1.I55 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 :: 176.781 CA :: 64.390 CB :: 39.030 CG1 :: 30.860 CG2 :: 16.660 CD1 :: 15.150 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 :: 7.645 HA :: 3.510 HB :: 1.540 HG12 :: 1.620 HG13 :: 0.578 HG21 :: 0.697 HG22 :: 0.697 HG23 :: 0.697 HD11 :: -0.065 HD12 :: -0.065 HD13 :: -0.065 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 :: 117.662 Ave N Shift Values>> N :: 121.6(4.72) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.41 C 0.03 I 0.02 C Shift Assignments>> C :: 179.827 CA :: 54.970 CB :: 18.630 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.023 HA :: 3.947 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.115 Ave N Shift Values>> N :: 123.23(3.7) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.13 K 0.05 I 0.03 Q 0.03 C Shift Assignments>> C :: 176.695 CA :: 56.330 CB :: 30.700 CG :: 36.380 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 :: 7.616 HA :: 4.171 HB2 :: 1.987 HB3 :: 1.951 HG2 :: 2.452 HG3 :: 2.265 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 :: 112.688 Ave N Shift Values>> N :: 120.68(3.68) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.28 C 0.03 L 0.01 C Shift Assignments>> C :: 177.804 CA :: 53.510 CB :: 19.590 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.112 HA :: 3.977 HB1 :: 1.408 HB2 :: 1.408 HB3 :: 1.408 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.225 Ave N Shift Values>> N :: 123.23(3.7) 1.T59 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 :: 174.306 CA :: 65.580 CB :: 69.720 CG2 :: 22.620 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 :: 9.554 HA :: 4.305 HB :: 4.287 HG1 :: 5.104 HG21 :: 1.476 HG22 :: 1.476 HG23 :: 1.476 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 :: 120.557 Ave N Shift Values>> N :: 115.7(5.05) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.34 G 0.22 HN Overlap>> 1.K97 1.K97 C Shift Assignments>> C :: 173.348 CA :: 60.880 CB :: 43.540 CG1 :: 27.910 CG2 :: 17.930 CD1 :: 13.130 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 :: 7.299 HA :: 4.225 HB :: 1.171 HG12 :: 1.444 HG13 :: 0.887 HG21 :: 0.717 HG22 :: 0.717 HG23 :: 0.717 HD11 :: 0.608 HD12 :: 0.608 HD13 :: 0.608 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 :: 118.188 Ave N Shift Values>> N :: 121.6(4.72) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 174.704 CA :: 60.760 CB :: 38.850 CG1 :: 26.400 CG2 :: 17.750 CD1 :: 14.400 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 :: 8.768 HA :: 4.822 HB :: 2.015 HG12 :: 1.606 HG13 :: 0.839 HG21 :: 0.626 HG22 :: 0.626 HG23 :: 0.626 HD11 :: 0.985 HD12 :: 0.985 HD13 :: 0.985 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 :: 126.395 Ave N Shift Values>> N :: 121.6(4.72) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.42 G 0.03 C Shift Assignments>> C :: 175.543 CA :: 59.020 CB :: 42.350 CG1 :: 28.260 CG2 :: 16.950 CD1 :: 14.290 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 :: 8.547 HA :: 5.073 HB :: 1.426 HG12 :: 1.506 HG13 :: 0.843 HG21 :: 0.735 HG22 :: 0.735 HG23 :: 0.735 HD11 :: 0.536 HD12 :: 0.536 HD13 :: 0.536 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 :: 126.454 Ave N Shift Values>> N :: 121.6(4.72) 1.H63 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 H 0.03 C Shift Assignments>> C :: 173.563 CA :: 53.370 CB :: 34.570 CD2 :: 112.562(A) CE1 :: 138.934 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.964 HA :: 5.367 HB2 :: 2.824 HB3 :: 2.690 HD2 :: 6.221 HE1 :: 7.299 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 127.298 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D71 1.D71 C Shift Assignments>> C :: 173.724 CA :: 55.830 CB :: 63.800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.050 HA :: 5.153 HB2 :: 3.925 HB3 :: 3.145 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 :: 121.651 Ave N Shift Values>> N :: 116.3(3.95) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 I 0.17 A 0.02 V 0.02 C Shift Assignments>> C :: 175.393 CA :: 58.430 CB :: 36.390 CG1 :: 23.490 CG2 :: 18.160 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 :: 8.127 HA :: 5.299 HB :: 2.544 HG11 :: 0.693 HG12 :: 0.693 HG13 :: 0.693 HG21 :: 0.769 HG22 :: 0.769 HG23 :: 0.769 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 :: 113.623 Ave N Shift Values>> N :: 121.02(4.96) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 L 0.14 M 0.13 C 0.09 C Shift Assignments>> C :: 176.082 CA :: 51.320 CB :: 21.590 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.174 HA :: 4.636 HB1 :: 1.540 HB2 :: 1.540 HB3 :: 1.540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.800 Ave N Shift Values>> N :: 123.23(3.7) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.32 A 0.01 C Shift Assignments>> C :: 173.068 CA :: 58.880 CB :: 34.840 CG1 :: 20.770 CG2 :: 19.670 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 :: 7.450 HA :: 4.315 HB :: 1.961 HG11 :: 0.590 HG12 :: 0.590 HG13 :: 0.590 HG21 :: 0.733 HG22 :: 0.733 HG23 :: 0.733 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 :: 114.893 Ave N Shift Values>> N :: 121.02(4.96) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 61.480 CB :: 69.700 CG2 :: 21.290 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 :: 7.926 HA :: 4.225 HB :: 3.850 HG21 :: 1.250 HG22 :: 1.250 HG23 :: 1.250 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 :: 119.994 Ave N Shift Values>> N :: 115.7(5.05) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 175.985 CA :: 62.480 CB :: 33.070 CG :: 27.450 CD :: 51.380 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 :: 3.991 HB2 :: 1.694 HB3 :: 1.540 HG2 :: 1.680 HG3 :: 1.358 HD2 :: 3.894 HD3 :: 3.552 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.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.1 I 0.06 M 0.06 Q 0.04 C Shift Assignments>> C :: 177.309 CA :: 56.610 CB :: 29.650 CG :: 36.310 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 :: 9.310 HA :: 4.085 HB2 :: 1.805 HB3 :: 1.736 HG2 :: 2.247 HG3 :: 2.139 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 :: 122.148 Ave N Shift Values>> N :: 120.68(3.68) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.21 Y 0.16 D 0.12 F 0.12 E 0.05 L 0.03 I 0.02 M 0.01 HN Overlap>> 1.S64 1.S64 C Shift Assignments>> C :: 178.310 CA :: 55.070 CB :: 38.440 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 :: 9.030 HA :: 4.640 HB2 :: 2.853 HB3 :: 2.574 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 :: 121.723 Ave N Shift Values>> N :: 120.73(4.2) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 N 0.19 Y 0.18 F 0.14 D 0.13 L 0.04 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 177.922 CA :: 55.340 CB :: 38.670 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 :: 4.662 HB2 :: 2.863 HB3 :: 2.716 HD21 :: 7.340 HD22 :: 6.711 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 :: 119.389 ND2 :: 110.100 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.26 E 0.22 K 0.08 Q 0.03 C Shift Assignments>> C :: 177.836 CA :: 59.420 CB :: 27.690 CG :: 36.090 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 :: 9.705 HA :: 4.093 HB2 :: 2.001 HB3 :: 2.001 HG2 :: 2.291 HG3 :: 2.291 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 :: 121.751 Ave N Shift Values>> N :: 120.68(3.68) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.34 K 0.15 G 0.08 C Shift Assignments>> C :: 177.416 CA :: 58.150 CB :: 32.110 CG :: 26.050 CD :: 43.510 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 :: 7.076 HA :: 3.786 HB2 :: 1.073 HB3 :: 1.001 HG2 :: 1.584 HG3 :: 1.544 HD2 :: 3.249 HD3 :: 2.458 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 :: 116.918 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.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 C 0.32 F 0.27 C Shift Assignments>> C :: 174.833 CA :: 57.970 CB :: 38.800 CD1 :: 133.184 CE1 :: 131.243 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 :: 7.636 HA :: 4.117 HB2 :: 3.249 HB3 :: 2.865 HD1 :: 7.388 HD2 :: 7.388 HE1 :: 7.174 HE2 :: 7.174 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 :: 113.444 Ave N Shift Values>> N :: 120.69(4.18) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 I 0.11 K 0.1 Q 0.06 M 0.04 C Shift Assignments>> C :: 177.083 CA :: 58.840 CB :: 29.780 CG :: 35.850 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 :: 7.115 HA :: 4.007 HB2 :: 2.083 HB3 :: 1.969 HG2 :: 2.310 HG3 :: 2.310 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 :: 119.389 Ave N Shift Values>> N :: 120.68(3.68) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.541 CA :: 59.250 CB :: 62.930 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.536 HA :: 4.303 HB2 :: 3.911 HB3 :: 3.911 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 :: 113.863 Ave N Shift Values>> N :: 116.3(3.95) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.08 HN Overlap>> 1.A32 1.A32 C Shift Assignments>> C :: 174.898 CA :: 52.090 CB :: 32.340 CG :: 25.470 CD :: 41.190 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 :: 7.575 HA :: 4.618 HB2 :: 1.789 HB3 :: 1.480 HG2 :: 1.488 HG3 :: 1.364 HD2 :: 3.179 HD3 :: 3.147 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 :: 119.101 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.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.16 L 0.14 C 0.12 F 0.09 Y 0.08 K 0.06 R 0.01 HN Overlap>> 1.Q108 1.Q108 C Shift Assignments>> C :: 174.489 CA :: 54.140 CB :: 40.530 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 :: 8.287 HA :: 4.462 HB2 :: 2.462 HB3 :: 2.320 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 :: 120.756 Ave N Shift Values>> N :: 120.73(4.2) 1.V80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.53 C 0.45 C Shift Assignments>> C :: 175.048 CA :: 60.700 CB :: 33.880 CG1 :: 19.800 CG2 :: 20.640 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 :: 7.869 HA :: 3.886 HB :: 1.360 HG11 :: -0.225(S) HG12 :: -0.225(S) HG13 :: -0.225(S) HG21 :: 0.348 HG22 :: 0.348 HG23 :: 0.348 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 :: 122.096 Ave N Shift Values>> N :: 121.02(4.96) 1.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 174.306 CA :: 58.250 CB :: 38.340 CD1 :: 133.289 CE1 :: 117.821 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 :: 8.354 HA :: 4.365 HB2 :: 2.786 HB3 :: 2.702 HD1 :: 7.081 HD2 :: 7.081 HE1 :: 6.771 HE2 :: 6.771 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 :: 127.973 Ave N Shift Values>> N :: 120.79(4.69) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.36 M 0.11 I 0.04 K 0.01 C Shift Assignments>> C :: 175.737 CA :: 55.740 CB :: 31.060 CG :: 37.410 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 :: 8.514 HA :: 5.203 HB2 :: 1.905 HB3 :: 1.839 HG2 :: 2.107 HG3 :: 1.977 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 :: 126.655 Ave N Shift Values>> N :: 120.68(3.68) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.47 G 0.01 A 0.01 C Shift Assignments>> C :: 175.468 CA :: 59.160 CB :: 41.810 CG1 :: 25.410 CG2 :: 17.920 CD1 :: 14.860 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 :: 9.189 HA :: 4.902 HB :: 2.322 HG12 :: 1.390 HG13 :: 1.019 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 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 :: 120.756 Ave N Shift Values>> N :: 121.6(4.72) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 177.222 CA :: 60.930 CB :: 71.450 CG2 :: 21.840 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 :: 8.900 HA :: 4.722 HB :: 4.774 HG1 :: 5.081 HG21 :: 1.336 HG22 :: 1.336 HG23 :: 1.336 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 :: 112.015 Ave N Shift Values>> N :: 115.7(5.05) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.39 R 0.13 K 0.03 C Shift Assignments>> C :: 179.203 CA :: 57.780 CB :: 41.160 CG :: 28.360 CD1 :: 25.870 CD2 :: 23.970 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 :: 8.381 HA :: 4.111 HB2 :: 1.710 HB3 :: 1.292 HG :: 1.570 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 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 :: 123.299 Ave N Shift Values>> N :: 121.98(4.07) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.21 K 0.2 E 0.13 I 0.06 R 0.05 M 0.01 C Shift Assignments>> C :: 178.148 CA :: 59.010 CB :: 27.960 CG :: 34.340 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 :: 8.028 HA :: 3.842 HB2 :: 1.969 HB3 :: 1.923 HG2 :: 2.428 HG3 :: 2.326 HE21 :: 7.471 HE22 :: 6.796 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 :: 115.896 NE2 :: 112.417 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 C 0.15 K 0.13 L 0.11 D 0.08 I 0.04 R 0.02 N 0.01 C Shift Assignments>> C :: 177.739 CA :: 57.520 CB :: 40.760 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 :: 7.896 HA :: 4.237 HB2 :: 2.824 HB3 :: 2.422 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 :: 119.793 Ave N Shift Values>> N :: 120.73(4.2) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.34 I 0.04 C 0.03 C Shift Assignments>> C :: 177.061 CA :: 55.330 CB :: 18.350 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.145 HA :: 3.524 HB1 :: 1.430 HB2 :: 1.430 HB3 :: 1.430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.024 Ave N Shift Values>> N :: 123.23(3.7) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 178.740 CA :: 65.540 CB :: 38.990 CG1 :: 29.590 CG2 :: 16.950 CD1 :: 14.280 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 :: 7.483 HA :: 3.269 HB :: 1.656 HG12 :: 1.732 HG13 :: 0.510 HG21 :: 0.793 HG22 :: 0.793 HG23 :: 0.793 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 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 :: 112.844 Ave N Shift Values>> N :: 121.6(4.72) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.39 R 0.18 M 0.01 C Shift Assignments>> C :: 178.256 CA :: 57.370 CB :: 33.610 CG :: 25.120 CD :: 29.000 CE :: 42.110 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 :: 8.047 HA :: 4.239 HB2 :: 1.771 HB3 :: 1.732 HG2 :: 1.468 HG3 :: 1.402 HD2 :: 1.606 HD3 :: 1.606 HE2 :: 2.901 HE3 :: 2.901 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 :: 115.747 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.31 C 0.12 L 0.08 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 174.833 CA :: 52.090 CB :: 40.170 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 :: 8.100 HA :: 5.237 HB2 :: 2.901 HB3 :: 2.374 HD21 :: 7.484 HD22 :: 7.022 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 :: 116.094 ND2 :: 111.883 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.14 I 0.1 C 0.05 V 0.05 T 0.02 C Shift Assignments>> C :: 178.439 CA :: 56.870 CB :: 18.900 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 :: 3.626 HB1 :: 1.416 HB2 :: 1.416 HB3 :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.574 Ave N Shift Values>> N :: 123.23(3.7) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.28 I 0.05 C 0.03 C Shift Assignments>> C :: 180.785 CA :: 55.650 CB :: 18.080 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.682 HA :: 3.818 HB1 :: 1.364 HB2 :: 1.364 HB3 :: 1.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.757 Ave N Shift Values>> N :: 123.23(3.7) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 176.437 CA :: 46.730 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.560 HA2 :: 3.850 HA3 :: 3.728 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.282 Ave N Shift Values>> N :: 109.91(4.29) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.675 CA :: 63.980 CB :: 37.900 CG1 :: 28.890 CG2 :: 17.350 CD1 :: 13.750 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 :: 8.110 HA :: 3.700 HB :: 1.783 HG12 :: 1.510 HG13 :: 1.165 HG21 :: 0.727 HG22 :: 0.727 HG23 :: 0.727 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 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 :: 123.904 Ave N Shift Values>> N :: 121.6(4.72) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 176.921 CA :: 66.210 CB :: 37.710 CG1 :: 30.100 CG2 :: 16.540 CD1 :: 13.520 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 :: 7.788 HA :: 3.201 HB :: 1.630 HG12 :: 1.606 HG13 :: 0.442 HG21 :: 0.524 HG22 :: 0.524 HG23 :: 0.524 HD11 :: 0.462 HD12 :: 0.462 HD13 :: 0.462 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 :: 119.151 Ave N Shift Values>> N :: 121.6(4.72) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.21 M 0.02 G 0.01 HN Overlap>> 1.I60 1.I60 C Shift Assignments>> C :: 178.600 CA :: 58.970 CB :: 32.340 CG :: 24.770 CD :: 28.940 CE :: 42.160 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 :: 4.095 HB2 :: 1.835 HB3 :: 1.835 HG2 :: 1.494 HG3 :: 1.394 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 2.955 HE3 :: 2.955 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 :: 118.247 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.27 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.741 CA :: 59.570 CB :: 29.050 CG :: 36.660 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 :: 7.917 HA :: 3.941 HB2 :: 2.117 HB3 :: 2.023 HG2 :: 2.342 HG3 :: 2.155 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 :: 119.389 Ave N Shift Values>> N :: 120.68(3.68) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 178.040 CA :: 65.850 CB :: 37.800 CG1 :: 28.360 CG2 :: 17.530 CD1 :: 15.100 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 :: 8.140 HA :: 3.327 HB :: 1.492 HG12 :: 1.478 HG13 :: -0.067 HG21 :: 0.260 HG22 :: 0.260 HG23 :: 0.260 HD11 :: 0.266 HD12 :: 0.266 HD13 :: 0.266 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 :: 121.641 Ave N Shift Values>> N :: 121.6(4.72) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.31 E 0.29 K 0.03 M 0.01 C Shift Assignments>> C :: 180.172 CA :: 60.010 CB :: 29.560 CG :: 36.900 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 :: 8.551 HA :: 3.698 HB2 :: 2.394 HB3 :: 1.859 HG2 :: 2.606 HG3 :: 2.077 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 :: 118.764 Ave N Shift Values>> N :: 120.68(3.68) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.18 K 0.08 Q 0.02 M 0.02 HN Overlap>> 1.Q53 1.Q53 C Shift Assignments>> C :: 179.084 CA :: 58.920 CB :: 29.330 CG :: 36.380 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 :: 8.032 HA :: 4.039 HB2 :: 2.125 HB3 :: 2.019 HG2 :: 2.452 HG3 :: 2.225 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 :: 118.833 Ave N Shift Values>> N :: 120.68(3.68) 1.M102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.47 HN Overlap>> 1.E106 1.E106 C Shift Assignments>> C :: 179.364 CA :: 59.110 CB :: 32.850 CG :: 32.290 CE :: 17.454 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 :: 8.011 HA :: 4.161 HB2 :: 2.326 HB3 :: 2.219 HG2 :: 2.762 HG3 :: 2.590 HE1 :: 2.087 HE2 :: 2.087 HE3 :: 2.087 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 :: 121.483 Ave N Shift Values>> N :: 120.1(3.88) 1.I103 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 :: 178.417 CA :: 64.570 CB :: 38.570 CG1 :: 28.650 CG2 :: 17.060 CD1 :: 14.390 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 :: 8.400 HA :: 3.858 HB :: 1.853 HG12 :: 1.688 HG13 :: 1.175 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 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 :: 120.042 Ave N Shift Values>> N :: 121.6(4.72) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.4 C 0.02 I 0.01 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> C :: 179.440 CA :: 54.000 CB :: 18.260 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.884 HA :: 4.189 HB1 :: 1.442 HB2 :: 1.442 HB3 :: 1.442 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.316 Ave N Shift Values>> N :: 123.23(3.7) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.511 CA :: 60.110 CB :: 63.520 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.913 HA :: 4.307 HB2 :: 3.969 HB3 :: 3.969 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 :: 113.395 Ave N Shift Values>> N :: 116.3(3.95) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.07 I 0.07 K 0.07 Q 0.03 HN Overlap>> 1.M102 1.M102 C Shift Assignments>> C :: 177.136 CA :: 57.150 CB :: 30.110 CG :: 36.480 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 :: 7.901 HA :: 4.241 HB2 :: 2.107 HB3 :: 2.041 HG2 :: 2.370 HG3 :: 2.253 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 :: 121.485 Ave N Shift Values>> N :: 120.68(3.68) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.24 E 0.12 M 0.06 R 0.05 C Shift Assignments>> C :: 176.275 CA :: 56.240 CB :: 29.150 CG :: 33.870 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 :: 8.047 HA :: 4.281 HB2 :: 2.127 HB3 :: 2.019 HG2 :: 2.422 HG3 :: 2.390 HE21 :: 7.505 HE22 :: 6.814 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 :: 119.329 NE2 :: 112.417 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.25 C 0.24 E 0.09 M 0.07 R 0.06 HN Overlap>> 1.D79 1.D79 C Shift Assignments>> CA :: 56.240 CB :: 29.150 CG :: 33.590 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 :: 8.212 HA :: 4.311 HB2 :: 2.133 HB3 :: 2.027 HG2 :: 2.390 HG3 :: 2.390 HE21 :: 7.502 HE22 :: 6.811 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 :: 120.738 NE2 :: 112.534 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 103 #Clerical: 0 #Suspicious: 2 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 108 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 108 #Suspicious: 0 C Shift Results: #Consistent: 450 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 H Shift Results: #Consistent: 757 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 1 N Shift Results: #Consistent: 115 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A7 HA = 6.022(S), Expected = 4.26, Std = 0.4200, ChiSquare = 2.7259e-05 1.V30 C = 181.754(A), Expected = 175.69, Std = 2.0300, ChiSquare = 2.8155e-03 1.Q41 HE21 = 9.179(A), Expected = 7.17, Std = 0.4600, ChiSquare = 1.2574e-05 1.H63 CD2 = 112.562(A), Expected = 119.84, Std = 3.3000, ChiSquare = 2.7422e-02 1.V80 HG11 = -0.225(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.9985e-05 1.V80 HG12 = -0.225(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.9985e-05 1.V80 HG13 = -0.225(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.9985e-05