A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.57 M 0.21 K 0.08 I 0.06 Q 0.05 C Shift Assignments>> C :: 176.570 CA :: 56.622 CB :: 30.758 CG :: 36.312 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>> HA :: 4.464 HB2 :: 2.167 HB3 :: 2.053 HG2 :: 2.400 HG3 :: 2.400 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) G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 R 0.07 F 0.01 C Shift Assignments>> C :: 172.854 CA :: 45.023 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.472 HA2 :: 5.172 HA3 :: 3.662 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.372 Ave N Shift Values>> N :: 109.91(4.29) F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 C Shift Assignments>> C :: 172.500 CA :: 55.264 CB :: 41.484 CD1 :: 132.797 CD2 :: 132.795 CE1 :: 130.389 CE2 :: 130.393 CZ :: 128.356 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 :: 8.526 HA :: 5.089 HB2 :: 3.093 HB3 :: 3.095 HD1 :: 7.138 HD2 :: 7.139 HE1 :: 6.991 HE2 :: 6.991 HZ :: 6.833 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 :: 118.877 Ave N Shift Values>> N :: 120.69(4.18) V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.165 CA :: 61.924 CB :: 31.983 CG1 :: 21.299 CG2 :: 20.799 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 :: 8.370 HA :: 4.262 HB :: 1.898 HG1 :: 0.948 HG2 :: 0.673 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 :: 122.822 Ave N Shift Values>> N :: 121.02(4.96) V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.798 CA :: 62.617 CB :: 32.342 CG1 :: 22.925 CG2 :: 23.844 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 :: 8.354 HA :: 3.904 HB :: 1.989 HG1 :: 0.827 HG2 :: 0.740 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 :: 127.641 Ave N Shift Values>> N :: 121.02(4.96) K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.33 M 0.02 G 0.01 C Shift Assignments>> C :: 175.759 CA :: 57.047 CB :: 33.164 CG :: 25.348 CD :: 28.863 CE :: 42.223 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 :: 9.231 HA :: 4.443 HB2 :: 1.846 HB3 :: 1.855 HG2 :: 1.472 HG3 :: 1.641 HD2 :: 1.724 HD3 :: 1.724 HE2 :: 3.037 HE3 :: 3.037 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 :: 129.412 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.22 G 0.19 D 0.13 K 0.03 F 0.02 Y 0.02 N 0.01 C Shift Assignments>> C :: 173.428 CA :: 53.411 CB :: 43.712 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 :: 7.560 HA :: 5.118 HB2 :: 2.555 HB3 :: 2.466 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 :: 114.851 Ave N Shift Values>> N :: 120.73(4.2) I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.363 CA :: 60.909 CB :: 40.872 CG1 :: 28.475 CG2 :: 17.971 CD1 :: 13.858 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 :: 8.309 HA :: 4.781 HB :: 1.548 HG2 :: 0.430 HG12 :: 1.510 HG13 :: 0.731 HD1 :: 0.749 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 :: 121.533 Ave N Shift Values>> N :: 121.6(4.72) H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.96 Y 0.03 C Shift Assignments>> C :: 172.476 CA :: 53.117 CB :: 32.397 CD2 :: 118.822 CE1 :: 132.193 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 :: 8.855 HA :: 5.150 HB2 :: 3.165 HB3 :: 2.996 HD2 :: 7.005 HE1 :: 7.416 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 :: 125.642 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.33 G 0.16 C Shift Assignments>> C :: 176.308 CA :: 57.189 CB :: 43.435 CD1 :: 131.620 CD2 :: 131.635 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 :: 8.882 HA :: 5.498 HB2 :: 2.937 HB3 :: 2.697 HD1 :: 7.049 HD2 :: 7.050 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 :: 121.702 Ave N Shift Values>> N :: 120.69(4.18) E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.31 E 0.14 M 0.1 R 0.06 C Shift Assignments>> C :: 175.583 CA :: 55.811 CB :: 29.378 CG :: 33.769 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 :: 9.276 HA :: 4.256 HB2 :: 1.974 HB3 :: 1.878 HG2 :: 2.285 HG3 :: 2.283 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 :: 122.288 Ave N Shift Values>> N :: 120.68(3.68) G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 R 0.07 F 0.01 C Shift Assignments>> C :: 174.725 CA :: 45.039 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.542 HA2 :: 4.453 HA3 :: 3.873 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.865 Ave N Shift Values>> N :: 109.91(4.29) L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 A 0.08 R 0.03 C Shift Assignments>> C :: 178.447 CA :: 55.311 CB :: 40.521 CG :: 26.881 CD1 :: 22.803 CD2 :: 26.063 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 :: 7.652 HA :: 4.483 HB2 :: 1.883 HB3 :: 1.657 HG :: 1.418 HD1 :: 0.776 HD2 :: 0.389 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 :: 118.886 Ave N Shift Values>> N :: 121.98(4.07) Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 Q 0.24 E 0.24 K 0.07 I 0.01 C Shift Assignments>> C :: 175.279 CA :: 58.684 CB :: 31.759 CG :: 34.076 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 :: 9.995 HA :: 4.338 HB2 :: 2.121 HB3 :: 2.137 HG2 :: 2.306 HG3 :: 2.260 HE21 :: 7.560 HE22 :: 6.746 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 :: 124.750 NE2 :: 111.123 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R16 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.64 K 0.25 G 0.09 C Shift Assignments>> C :: 177.635 CA :: 58.264 CB :: 31.120 CG :: 27.720 CD :: 43.268 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 :: 11.498(M) HA :: 4.248 HB2 :: 1.855 HB3 :: 1.853 HG2 :: 1.677 HG3 :: 1.572 HD2 :: 3.316 HD3 :: 3.200 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 :: 127.176 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.895 CA :: 62.771 CB :: 31.472 CG1 :: 20.980 CG2 :: 21.917 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 :: 8.818 HA :: 3.710 HB :: 2.302 HG1 :: 0.938 HG2 :: 0.654 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 :: 123.968 Ave N Shift Values>> N :: 121.02(4.96) A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.14 C Shift Assignments>> C :: 178.734 CA :: 51.583 CB :: 19.509 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.326 HA :: 4.303 HB :: 1.504 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.391 Ave N Shift Values>> N :: 123.23(3.7) V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> L138 C Shift Assignments>> C :: 177.350 CA :: 66.200 CB :: 31.640 CG1 :: 22.839 CG2 :: 20.331 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 :: 8.619 HA :: 3.170 HB :: 1.935 HG1 :: 0.959 HG2 :: 0.957 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 :: 123.355 Ave N Shift Values>> N :: 121.02(4.96) G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> C :: 176.220 CA :: 47.061 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.613 HA2 :: 3.825 HA3 :: 3.792 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.664 Ave N Shift Values>> N :: 109.91(4.29) A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.42 I 0.01 C Shift Assignments>> C :: 180.396 CA :: 54.277 CB :: 18.566 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.827 HA :: 4.221 HB :: 1.533 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.148 Ave N Shift Values>> N :: 123.23(3.7) A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.3 I 0.05 C Shift Assignments>> C :: 180.088 CA :: 55.417 CB :: 17.810 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.954 HA :: 3.993 HB :: 1.006 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.320 Ave N Shift Values>> N :: 123.23(3.7) L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.24 G 0.04 C Shift Assignments>> C :: 180.499 CA :: 58.282 CB :: 42.588 CG :: 27.183 CD1 :: 23.931 CD2 :: 25.750 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 :: 8.510 HA :: 4.324 HB2 :: 1.919 HB3 :: 1.599 HG :: 1.924 HD1 :: 1.181 HD2 :: 1.062 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 :: 117.149 Ave N Shift Values>> N :: 121.98(4.07) L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.1 G 0.02 HN Overlap>> Y127 C Shift Assignments>> C :: 178.754 CA :: 57.122 CB :: 42.141 CG :: 26.993 CD1 :: 24.813 CD2 :: 23.527 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 :: 7.494 HA :: 4.241 HB2 :: 1.880 HB3 :: 1.696 HG :: 1.881 HD1 :: 0.944 HD2 :: 0.938 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 :: 117.618 Ave N Shift Values>> N :: 121.98(4.07) S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.810 CA :: 59.660 CB :: 64.375 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.544 HA :: 4.463 HB2 :: 3.994 HB3 :: 3.943 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 :: 113.122 Ave N Shift Values>> N :: 116.3(3.95) M26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 E 0.2 Q 0.18 K 0.04 C Shift Assignments>> CA :: 53.610 CB :: 34.833 CG :: 31.801 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 :: 7.561 HA :: 4.654 HB2 :: 2.471 HB3 :: 2.224 HG2 :: 3.143 HG3 :: 2.654 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 :: 119.530 Ave N Shift Values>> N :: 120.1(3.88) P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.401 CA :: 63.333 CB :: 31.256 CG :: 26.768 CD :: 50.502 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 :: 4.733 HB2 :: 2.242 HB3 :: 2.232 HG2 :: 2.013 HG3 :: 1.945 HD2 :: 3.900 HD3 :: 3.902 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) V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 I 0.12 A 0.03 C Shift Assignments>> C :: 173.049 CA :: 59.326 CB :: 35.305 CG1 :: 22.294 CG2 :: 19.212 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 :: 6.576 HA :: 4.541 HB :: 1.827 HG1 :: 0.805 HG2 :: 0.685 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 :: 112.362 Ave N Shift Values>> N :: 121.02(4.96) R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 K 0.38 G 0.23 C Shift Assignments>> C :: 175.432 CA :: 53.324 CB :: 33.742 CG :: 26.200 CD :: 43.206 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 :: 8.675 HA :: 4.599 HB2 :: 1.845 HB3 :: 1.705 HG2 :: 1.658 HG3 :: 1.550 HD2 :: 3.261 HD3 :: 3.197 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 :: 121.237 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.514 CA :: 65.261 CB :: 68.321 CG2 :: 22.919 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 :: 8.226 HA :: 3.616 HB :: 4.034 HG2 :: 1.194 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 :: 114.662 Ave N Shift Values>> N :: 115.7(5.05) G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.18 R 0.11 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.261 CA :: 44.792 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.229 HA2 :: 4.449 HA3 :: 3.478 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.188 Ave N Shift Values>> N :: 109.91(4.29) D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.23 K 0.17 F 0.1 Y 0.08 N 0.07 R 0.05 C Shift Assignments>> C :: 175.475 CA :: 54.708 CB :: 41.366 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 :: 7.985 HA :: 4.648 HB2 :: 2.776 HB3 :: 2.536 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 :: 121.815 Ave N Shift Values>> N :: 120.73(4.2) T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.553 CA :: 62.718 CB :: 68.876 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 :: 8.473 HA :: 4.603 HB :: 3.953 HG2 :: 0.954 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 :: 117.038 Ave N Shift Values>> N :: 115.7(5.05) V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 174.152 CA :: 59.797 CB :: 34.854 CG1 :: 22.500 CG2 :: 21.338 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 :: 8.816 HA :: 4.718 HB :: 1.687 HG1 :: 0.742 HG2 :: 0.405 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 :: 124.153 Ave N Shift Values>> N :: 121.02(4.96) N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.28 L 0.15 K 0.05 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 176.387 CA :: 50.974 CB :: 41.208 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 :: 9.326 HA :: 5.178 HB2 :: 3.216 HB3 :: 2.883 HD21 :: 7.524 HD22 :: 6.926 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 :: 122.824 ND2 :: 111.607 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.26 K 0.13 I 0.1 L 0.09 D 0.05 R 0.02 C Shift Assignments>> C :: 179.204 CA :: 58.434 CB :: 40.638 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 :: 8.596 HA :: 4.401 HB2 :: 2.756 HB3 :: 2.691 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 :: 118.081 Ave N Shift Values>> N :: 120.73(4.2) E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.35 K 0.11 Q 0.03 M 0.01 HN Overlap>> A111 C Shift Assignments>> C :: 178.717 CA :: 59.378 CB :: 28.923 CG :: 36.358 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 :: 8.545 HA :: 4.200 HB2 :: 2.128 HB3 :: 2.120 HG2 :: 2.336 HG3 :: 2.334 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 :: 121.462 Ave N Shift Values>> N :: 120.68(3.68) D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.18 L 0.17 Y 0.14 R 0.1 D 0.08 I 0.03 C Shift Assignments>> C :: 180.390 CA :: 57.534 CB :: 41.606 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 :: 7.972 HA :: 4.541 HB2 :: 3.070 HB3 :: 2.565 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 :: 119.156 Ave N Shift Values>> N :: 120.73(4.2) I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.817 CA :: 66.489 CB :: 36.934 CG1 :: 29.540 CG2 :: 17.095 CD1 :: 12.125 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 :: 8.072 HA :: 3.514 HB :: 2.228 HG2 :: 0.939 HG12 :: 1.751 HG13 :: 0.968 HD1 :: 0.864 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 :: 122.991 Ave N Shift Values>> N :: 121.6(4.72) S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.769 CA :: 62.430 CB :: 62.441 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.195 HA :: 4.105 HB2 :: 4.296 HB3 :: 4.295 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 :: 116.709 Ave N Shift Values>> N :: 116.3(3.95) N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.18 N 0.18 E 0.13 D 0.09 I 0.05 M 0.03 L 0.02 C Shift Assignments>> C :: 178.016 CA :: 55.877 CB :: 38.015 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 :: 8.681 HA :: 4.627 HB2 :: 3.144 HB3 :: 2.954 HD21 :: 8.165 HD22 :: 7.167 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 :: 119.724 ND2 :: 112.840 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.8 T 0.19 C Shift Assignments>> C :: 175.211 CA :: 68.538 CB :: 63.334(S) CG2 :: 22.281 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 :: 8.269 HA :: 4.292 HB :: 3.620 HG2 :: 1.355 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 :: 120.862 Ave N Shift Values>> N :: 115.7(5.05) I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> L117 C Shift Assignments>> C :: 177.766 CA :: 66.672 CB :: 39.180 CG1 :: 30.588 CG2 :: 17.534 CD1 :: 14.665 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 :: 8.074 HA :: 3.476 HB :: 2.105 HG2 :: 1.140 HG12 :: 1.875 HG13 :: 0.768 HD1 :: 1.112 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 :: 122.875 Ave N Shift Values>> N :: 121.6(4.72) R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.19 K 0.09 C Shift Assignments>> C :: 179.367 CA :: 60.185 CB :: 30.368 CG :: 27.661 CD :: 43.512 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 :: 7.884 HA :: 4.252 HB2 :: 2.077 HB3 :: 2.078 HG2 :: 1.953 HG3 :: 1.769 HD2 :: 3.356 HD3 :: 3.355 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 :: 117.579 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.39 I 0.03 V 0.01 HN Overlap>> L105 C Shift Assignments>> C :: 181.043 CA :: 55.261 CB :: 18.827 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.438 HA :: 4.292 HB :: 1.741 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.563 Ave N Shift Values>> N :: 123.23(3.7) L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 L 0.27 K 0.07 G 0.02 C Shift Assignments>> C :: 181.338 CA :: 58.006 CB :: 42.168 CG :: 28.252 CD1 :: 22.887 CD2 :: 27.052 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 :: 4.464 HB2 :: 2.070 HB3 :: 1.259 HG :: 1.893 HD1 :: 1.018 HD2 :: 0.744 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 :: 117.955 Ave N Shift Values>> N :: 121.98(4.07) F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.45 C Shift Assignments>> C :: 180.208 CA :: 62.839 CB :: 38.962 CD1 :: 131.779 CD2 :: 131.773 CE1 :: 130.015 CE2 :: 130.007 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 :: 9.103 HA :: 4.644 HB2 :: 3.333 HB3 :: 3.291 HD1 :: 7.385 HD2 :: 7.388 HE1 :: 7.579 HE2 :: 7.581 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 :: 122.561 Ave N Shift Values>> N :: 120.69(4.18) A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.47 I 0.02 C Shift Assignments>> C :: 178.346 CA :: 54.382 CB :: 18.095 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.490 HA :: 4.384 HB :: 1.706 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.843 Ave N Shift Values>> N :: 123.23(3.7) T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.346 CA :: 64.002 CB :: 71.246 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 :: 7.502 HA :: 4.267 HB :: 4.298 HG2 :: 1.779 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 :: 107.264 Ave N Shift Values>> N :: 115.7(5.05) G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 174.563 CA :: 46.082 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.619 HA2 :: 4.164 HA3 :: 3.882 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.962 Ave N Shift Values>> N :: 109.91(4.29) N51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.32 N 0.23 L 0.13 F 0.12 Y 0.12 K 0.03 C Shift Assignments>> C :: 176.636 CA :: 54.403 CB :: 40.016 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 :: 7.145 HA :: 4.464 HB2 :: 1.671(S) HB3 :: 0.837(S) HD21 :: 7.241 HD22 :: 6.529 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 :: 112.362 ND2 :: 113.316 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.93 G 0.06 C Shift Assignments>> C :: 174.827 CA :: 57.043 CB :: 42.568 CD1 :: 132.225 CD2 :: 132.196 CE1 :: 131.619 CE2 :: 131.617 CZ :: 128.816 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 :: 8.740 HA :: 5.413 HB2 :: 3.283 HB3 :: 2.401 HD1 :: 6.998 HD2 :: 6.999 HE1 :: 7.343 HE2 :: 7.345 HZ :: 7.074 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 :: 117.813 Ave N Shift Values>> N :: 120.69(4.18) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.31 I 0.06 K 0.01 C Shift Assignments>> C :: 175.752 CA :: 56.760 CB :: 32.144 CG :: 37.004 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 :: 9.535 HA :: 4.712 HB2 :: 2.093 HB3 :: 2.058 HG2 :: 2.331 HG3 :: 2.331 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 :: 122.071 Ave N Shift Values>> N :: 120.68(3.68) D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.19 R 0.06 D 0.01 C Shift Assignments>> C :: 173.955 CA :: 54.333 CB :: 45.202 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 :: 7.689 HA :: 5.141 HB2 :: 2.737 HB3 :: 2.515 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 :: 116.208 Ave N Shift Values>> N :: 120.73(4.2) V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 I 0.05 C Shift Assignments>> C :: 172.969 CA :: 62.280 CB :: 36.092 CG1 :: 22.628 CG2 :: 20.932 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 :: 7.673 HA :: 4.251 HB :: 1.560 HG1 :: 0.621 HG2 :: 0.149 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 :: 122.892 Ave N Shift Values>> N :: 121.02(4.96) R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 K 0.25 G 0.22 C Shift Assignments>> C :: 174.248 CA :: 54.737 CB :: 33.432 CG :: 27.244 CD :: 43.566 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 :: 8.956 HA :: 4.616 HB2 :: 1.801 HB3 :: 1.763 HG2 :: 1.637 HG3 :: 1.592 HD2 :: 3.272 HD3 :: 3.192 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 :: 126.213 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.527 CA :: 61.039 CB :: 33.999 CG1 :: 22.541 CG2 :: 22.541 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 :: 7.945 HA :: 4.998 HB :: 1.815 HG1 :: 0.811 HG2 :: 0.763 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 :: 121.638 Ave N Shift Values>> N :: 121.02(4.96) L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.4 R 0.02 C Shift Assignments>> C :: 174.782 CA :: 53.724 CB :: 45.074 CG :: 27.311 CD1 :: 24.727 CD2 :: 25.357 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 :: 9.280 HA :: 4.706 HB2 :: 1.623 HB3 :: 1.581 HG :: 1.513 HD1 :: 0.830 HD2 :: 0.804 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 :: 126.918 Ave N Shift Values>> N :: 121.98(4.07) R59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.68 G 0.19 K 0.11 HN Overlap>> E95 C Shift Assignments>> C :: 175.362 CA :: 55.924 CB :: 31.199 CG :: 26.599 CD :: 43.757 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 :: 8.514 HA :: 4.555 HB2 :: 1.583 HB3 :: 1.354 HG2 :: 1.137 HG3 :: 0.805 HD2 :: 2.654 HD3 :: 2.290(S) 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 :: 121.029 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.26 K 0.12 N 0.09 R 0.08 F 0.05 Y 0.03 G 0.01 C Shift Assignments>> C :: 176.321 CA :: 52.794 CB :: 42.024 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 :: 8.719 HA :: 4.783 HB2 :: 2.570 HB3 :: 2.245 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 :: 127.926 Ave N Shift Values>> N :: 120.73(4.2) G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 P 0.07 A 0.05 L 0.03 N 0.02 C Shift Assignments>> C :: 173.758 CA :: 47.615 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.890 HA2 :: 4.040 HA3 :: 3.546 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.227 Ave N Shift Values>> N :: 109.91(4.29) D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.14 N 0.1 F 0.08 Y 0.07 R 0.04 C Shift Assignments>> C :: 174.396 CA :: 54.134 CB :: 41.313 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 :: 8.781 HA :: 4.945 HB2 :: 3.214 HB3 :: 2.761 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 :: 128.096 Ave N Shift Values>> N :: 120.73(4.2) T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.306 CA :: 61.297 CB :: 71.165 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 :: 8.133 HA :: 4.937 HB :: 4.255 HG2 :: 0.966 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 :: 115.740 Ave N Shift Values>> N :: 115.7(5.05) L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.42 R 0.02 C Shift Assignments>> C :: 173.211 CA :: 53.675 CB :: 44.599 CG :: 26.780 CD1 :: 24.947 CD2 :: 24.975 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 :: 8.382 HA :: 4.899 HB2 :: 1.522 HB3 :: 1.479 HG :: 1.505 HD1 :: 0.751 HD2 :: 0.725 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 :: 123.473 Ave N Shift Values>> N :: 121.98(4.07) L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 G 0.17 R 0.12 A 0.04 C Shift Assignments>> C :: 174.203 CA :: 53.477 CB :: 43.590 CG :: 27.610 CD1 :: 25.344 CD2 :: 23.310 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 :: 9.097 HA :: 4.769 HB2 :: 1.682 HB3 :: 1.328 HG :: 1.297 HD1 :: 0.815 HD2 :: 0.799 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 :: 128.889 Ave N Shift Values>> N :: 121.98(4.07) V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.563 CA :: 60.890 CB :: 31.840 CG1 :: 21.758 CG2 :: 19.633 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 :: 8.808 HA :: 4.488 HB :: 1.400 HG1 :: 0.569 HG2 :: 0.376 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 :: 127.191 Ave N Shift Values>> N :: 121.02(4.96) Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 Q 0.33 K 0.19 E 0.09 R 0.02 HN Overlap>> T136 C Shift Assignments>> C :: 176.152 CA :: 53.863 CB :: 30.579 CG :: 33.619 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 :: 9.090 HA :: 5.162 HB2 :: 1.953 HB3 :: 1.858 HG2 :: 2.125 HG3 :: 2.047 HE21 :: 7.396 HE22 :: 6.615 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 :: 125.830 NE2 :: 110.665 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 V 0.34 I 0.17 C Shift Assignments>> C :: 174.862 CA :: 57.987 CB :: 35.537 CG1 :: 17.739 CG2 :: 21.101 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 :: 8.850 HA :: 5.131 HB :: 1.671 HG1 :: 0.706 HG2 :: 0.188 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 :: 116.709 Ave N Shift Values>> N :: 121.02(4.96) K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.32 G 0.02 M 0.02 C Shift Assignments>> C :: 177.692 CA :: 54.750 CB :: 35.296 CG :: 24.825 CD :: 29.189 CE :: 42.323 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 :: 7.916 HA :: 4.955 HB2 :: 1.925 HB3 :: 1.778 HG2 :: 1.559 HG3 :: 1.504 HD2 :: 1.783 HD3 :: 1.784 HE2 :: 3.066 HE3 :: 3.061 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 :: 119.303 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.35 K 0.33 R 0.28 Q 0.01 C Shift Assignments>> C :: 177.835 CA :: 57.517 CB :: 30.363 CG :: 30.391(S) 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 :: 9.985 HA :: 4.471 HB2 :: 3.117(S) HB3 :: 3.102(S) HG2 :: 3.244(S) HG3 :: 3.242(S) 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 :: 128.028 Ave N Shift Values>> N :: 120.68(3.68) R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.12 H 0.11 Q 0.1 K 0.09 R 0.09 D 0.07 E 0.06 Y 0.05 F 0.05 N 0.02 S 0.02 A 0.02 HN Overlap>> E118 C Shift Assignments>> CA :: 55.843 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 :: 8.431 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 :: 122.394 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.981 CA :: 62.515 CB :: 33.323 CG :: 26.775 CD :: 50.144 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 :: 4.768 HB2 :: 2.075 HB3 :: 1.547 HG2 :: 2.037 HG3 :: 1.969 HD2 :: 4.102 HD3 :: 3.963 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) T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.603 CA :: 61.856 CB :: 70.933 CG2 :: 21.766 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 :: 7.938 HA :: 4.500 HB :: 3.790 HG2 :: 1.038 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 :: 112.719 Ave N Shift Values>> N :: 115.7(5.05) I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.048 CA :: 62.644 CB :: 38.134 CG1 :: 29.309 CG2 :: 18.927 CD1 :: 14.037 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 :: 8.877 HA :: 4.061 HB :: 2.038 HG2 :: 0.750 HG12 :: 0.556 HD1 :: 0.771 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 :: 124.734 Ave N Shift Values>> N :: 121.6(4.72) A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.27 L 0.11 V 0.01 C Shift Assignments>> C :: 177.093 CA :: 53.242 CB :: 20.901 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.832 HA :: 4.518 HB :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 133.439 Ave N Shift Values>> N :: 123.23(3.7) S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.513 CA :: 57.674 CB :: 64.341 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.487 HA :: 4.467 HB2 :: 3.922 HB3 :: 3.718 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 :: 108.965 Ave N Shift Values>> N :: 116.3(3.95) I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.956 CA :: 60.996 CB :: 41.065 CG1 :: 28.519 CG2 :: 17.722 CD1 :: 14.308 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 :: 8.320 HA :: 5.016 HB :: 1.403 HG2 :: 0.395 HG12 :: 0.764 HG13 :: 1.413 HD1 :: 0.767 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 :: 121.938 Ave N Shift Values>> N :: 121.6(4.72) T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.771 CA :: 60.229 CB :: 72.266 CG2 :: 22.919 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 :: 8.416 HA :: 4.406 HB :: 4.037 HG2 :: 1.192 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 :: 120.081 Ave N Shift Values>> N :: 115.7(5.05) F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.95 G 0.04 C Shift Assignments>> C :: 175.867 CA :: 56.302 CB :: 42.426 CD1 :: 132.201 CD2 :: 132.196 CE1 :: 130.992 CE2 :: 131.009 CZ :: 128.602 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 :: 8.638 HA :: 5.709 HB2 :: 3.248 HB3 :: 3.011 HD1 :: 7.409 HD2 :: 7.412 HE1 :: 7.224 HE2 :: 7.224 HZ :: 6.840 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 :: 120.606 Ave N Shift Values>> N :: 120.69(4.18) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 174.584 CA :: 57.728 CB :: 65.642 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.077 HA :: 5.055 HB2 :: 3.832 HB3 :: 3.833 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 :: 115.794 Ave N Shift Values>> N :: 116.3(3.95) G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 173.754 CA :: 45.846 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.200 HA2 :: 3.894 HA3 :: 3.143 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.697 Ave N Shift Values>> N :: 109.91(4.29) N82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.32 Q 0.17 K 0.15 E 0.12 N 0.11 Y 0.03 H 0.03 R 0.01 C Shift Assignments>> C :: 174.622 CA :: 53.143 CB :: 34.914 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 :: 9.847 HA :: 4.580 HB2 :: 2.599 HB3 :: 1.360(S) HD22 :: 7.673 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 :: 115.624 ND2 :: 114.706 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.24 M 0.03 G 0.01 C Shift Assignments>> C :: 178.716 CA :: 58.230 CB :: 33.466 CG :: 24.709 CD :: 29.037 CE :: 42.109 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 :: 7.931 HA :: 4.132 HB2 :: 1.813 HB3 :: 1.814 HG2 :: 1.437 HG3 :: 1.347 HD2 :: 1.655 HD3 :: 1.652 HE2 :: 2.996 HE3 :: 2.995 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 :: 124.218 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.980 CA :: 59.988 CB :: 63.318 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.167 HA :: 4.323 HB2 :: 3.455 HB3 :: 3.415 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 :: 112.742 Ave N Shift Values>> N :: 116.3(3.95) V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.011 CA :: 61.290 CB :: 34.782 CG1 :: 21.556 CG2 :: 21.267 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 :: 6.510 HA :: 3.994 HB :: 1.369 HG1 :: 0.819 HG2 :: -0.041 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 :: 118.711 Ave N Shift Values>> N :: 121.02(4.96) K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 M 0.02 G 0.01 C Shift Assignments>> C :: 177.333 CA :: 56.611 CB :: 33.676 CG :: 25.111 CD :: 28.857 CE :: 42.258 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 :: 8.181 HA :: 4.194 HB2 :: 2.052 HB3 :: 1.834 HG2 :: 1.590 HG3 :: 1.527 HD2 :: 1.733 HD3 :: 1.733 HE2 :: 3.047 HE3 :: 3.048 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 :: 124.968 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.28 Y 0.25 L 0.12 K 0.11 D 0.11 I 0.06 N 0.02 R 0.01 C Shift Assignments>> C :: 177.614 CA :: 57.496 CB :: 40.433 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 :: 8.424 HA :: 3.560(S) HB2 :: 2.741 HB3 :: 2.742 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 :: 119.911 Ave N Shift Values>> N :: 120.73(4.2) D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.29 L 0.1 D 0.1 I 0.08 K 0.06 N 0.02 C Shift Assignments>> C :: 178.759 CA :: 57.626 CB :: 40.085 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 :: 8.608 HA :: 4.280 HB2 :: 2.696 HB3 :: 2.582 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 :: 115.169 Ave N Shift Values>> N :: 120.73(4.2) M89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 Q 0.22 E 0.11 K 0.04 C Shift Assignments>> C :: 178.586 CA :: 58.307 CB :: 33.170 CG :: 32.436 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 :: 7.300 HA :: 4.255 HB2 :: 2.195 HB3 :: 2.147 HG2 :: 2.716 HG3 :: 2.649 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 :: 118.538 Ave N Shift Values>> N :: 120.1(3.88) L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.2 G 0.02 K 0.01 C Shift Assignments>> C :: 178.427 CA :: 57.755 CB :: 41.892 CG :: 26.143 CD1 :: 23.413 CD2 :: 26.727 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 :: 7.143 HA :: 3.779 HB2 :: 1.268 HB3 :: 0.920 HG :: 1.483 HD1 :: 0.974 HD2 :: 0.247 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 :: 120.104 Ave N Shift Values>> N :: 121.98(4.07) K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.37 G 0.02 M 0.01 C Shift Assignments>> C :: 178.978 CA :: 60.571 CB :: 32.838 CG :: 25.750 CD :: 29.720 CE :: 42.096 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 :: 8.742 HA :: 4.037 HB2 :: 2.067 HB3 :: 2.067 HG2 :: 1.731 HG3 :: 1.541 HD2 :: 1.881 HD3 :: 1.830 HE2 :: 3.074 HE3 :: 3.075 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 :: 119.313 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.31 E 0.18 R 0.07 I 0.06 M 0.02 HN Overlap>> V153 C Shift Assignments>> C :: 178.429 CA :: 59.018 CB :: 28.404 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 :: 7.738 HA :: 4.166 HB2 :: 2.213 HB3 :: 2.194 HG2 :: 2.613 HG3 :: 2.439 HE21 :: 7.489 HE22 :: 6.842 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 :: 118.108 NE2 :: 111.273 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.33 Y 0.32 I 0.12 D 0.07 L 0.07 K 0.03 N 0.01 E 0.01 C Shift Assignments>> C :: 177.800 CA :: 57.923 CB :: 39.753 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 :: 7.416 HA :: 4.147 HB2 :: 2.078 HB3 :: 1.641(S) HD21 :: 6.632 HD22 :: 6.471 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 :: 119.955 ND2 :: 108.796 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 K 0.01 C Shift Assignments>> C :: 179.697 CA :: 58.040 CB :: 41.105 CG :: 26.705 CD1 :: 26.701 CD2 :: 23.311 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 :: 8.128 HA :: 4.051 HB2 :: 2.054 HB3 :: 1.858 HG :: 1.945 HD1 :: 1.049 HD2 :: 0.924 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 :: 119.809 Ave N Shift Values>> N :: 121.98(4.07) E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 E 0.38 K 0.05 M 0.01 HN Overlap>> R59 C Shift Assignments>> C :: 180.227 CA :: 60.193 CB :: 29.133 CG :: 36.965 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 :: 8.507 HA :: 3.761 HB2 :: 2.271 HB3 :: 2.099 HG2 :: 2.514 HG3 :: 2.270 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 :: 121.024 Ave N Shift Values>> N :: 120.68(3.68) A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.45 I 0.02 C Shift Assignments>> C :: 178.855 CA :: 54.576 CB :: 17.939 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.739 HA :: 4.250 HB :: 1.564 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.158 Ave N Shift Values>> N :: 123.23(3.7) S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.945 CA :: 58.413 CB :: 63.964 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.548 HA :: 4.664 HB2 :: 4.133 HB3 :: 4.004 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 :: 112.731 Ave N Shift Values>> N :: 116.3(3.95) G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 173.847 CA :: 45.501 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.873 HA2 :: 4.279 HA3 :: 3.697 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.060 Ave N Shift Values>> N :: 109.91(4.29) V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.659 CA :: 62.309 CB :: 30.959 CG1 :: 20.034 CG2 :: 21.082 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 :: 7.979 HA :: 3.936 HB :: 1.968 HG1 :: 0.761 HG2 :: 0.667 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 :: 123.616 Ave N Shift Values>> N :: 121.02(4.96) R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 R 0.35 K 0.18 C Shift Assignments>> C :: 174.539 CA :: 53.606 CB :: 34.185 CG :: 26.961 CD :: 43.650 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 :: 7.024 HA :: 4.551 HB2 :: 1.766 HB3 :: 1.653 HG2 :: 1.547 HG3 :: 1.395 HD2 :: 3.209 HD3 :: 3.210 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 :: 120.957 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.165 CA :: 65.344 CB :: 31.577 CG1 :: 22.992 CG2 :: 21.215 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 :: 8.550 HA :: 3.428 HB :: 1.940 HG1 :: 0.985 HG2 :: 0.957 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 :: 122.119 Ave N Shift Values>> N :: 121.02(4.96) G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.14 R 0.08 F 0.01 C Shift Assignments>> C :: 174.234 CA :: 44.964 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.284 HA2 :: 4.506 HA3 :: 3.562 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.320 Ave N Shift Values>> N :: 109.91(4.29) E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.27 K 0.05 I 0.03 Q 0.02 C Shift Assignments>> C :: 175.628 CA :: 54.379 CB :: 30.875 CG :: 36.814 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 :: 7.736 HA :: 4.719 HB2 :: 2.425 HB3 :: 2.055 HG2 :: 2.167 HG3 :: 2.428 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 :: 119.206 Ave N Shift Values>> N :: 120.68(3.68) S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.890 CA :: 58.085 CB :: 64.630 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.783 HA :: 4.966 HB2 :: 3.678 HB3 :: 3.583 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 :: 115.780 Ave N Shift Values>> N :: 116.3(3.95) L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.24 R 0.1 A 0.09 HN Overlap>> A45 C Shift Assignments>> C :: 174.828 CA :: 53.373 CB :: 44.674 CG :: 27.485 CD1 :: 27.583 CD2 :: 22.772 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 :: 8.333 HA :: 4.596 HB2 :: 1.148 HB3 :: 1.636 HG :: 1.181 HD1 :: 0.780 HD2 :: 0.804 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 :: 122.573 Ave N Shift Values>> N :: 121.98(4.07) D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.37 L 0.11 F 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 177.322 CA :: 51.989 CB :: 40.379 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 :: 9.119 HA :: 4.763 HB2 :: 3.015 HB3 :: 2.539 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 :: 126.156 Ave N Shift Values>> N :: 120.73(4.2) R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 G 0.2 K 0.14 C Shift Assignments>> C :: 177.564 CA :: 59.436 CB :: 30.093 CG :: 28.914 CD :: 43.566 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 :: 9.401 HA :: 3.889 HB2 :: 2.007 HB3 :: 1.985 HG2 :: 1.772 HG3 :: 1.617 HD2 :: 3.334 HD3 :: 3.259 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 :: 126.304 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> V143 C Shift Assignments>> C :: 176.277 CA :: 64.408 CB :: 69.137 CG2 :: 21.878 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 :: 8.611 HA :: 4.409 HB :: 4.440 HG2 :: 1.420 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 :: 110.996 Ave N Shift Values>> N :: 115.7(5.05) T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.565 CA :: 61.809 CB :: 69.948 CG2 :: 22.129 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 :: 7.621 HA :: 4.375 HB :: 4.273 HG2 :: 1.244 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 :: 110.183 Ave N Shift Values>> N :: 115.7(5.05) I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.825 CA :: 64.508 CB :: 37.059 CG1 :: 29.012 CG2 :: 18.116 CD1 :: 12.182 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 :: 7.123 HA :: 3.679 HB :: 1.959 HG2 :: 0.903 HG12 :: 1.662 HG13 :: 1.279 HD1 :: 0.834 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 :: 122.581 Ave N Shift Values>> N :: 121.6(4.72) A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.03 HN Overlap>> E37 C Shift Assignments>> C :: 180.526 CA :: 54.893 CB :: 18.023 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.544 HA :: 4.505 HB :: 1.489 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.369 Ave N Shift Values>> N :: 123.23(3.7) D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.13 D 0.13 K 0.11 I 0.05 N 0.02 R 0.01 C Shift Assignments>> C :: 179.886 CA :: 57.208 CB :: 40.433 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 :: 7.662 HA :: 4.537 HB2 :: 2.968 HB3 :: 2.742 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 :: 118.256 Ave N Shift Values>> N :: 120.73(4.2) I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.990 CA :: 64.512 CB :: 37.771 CG1 :: 28.211 CG2 :: 16.718 CD1 :: 13.206 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 :: 8.151 HA :: 3.875 HB :: 2.166 HG2 :: 0.827 HG12 :: 1.790 HG13 :: 1.114 HD1 :: 0.766 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 :: 123.631 Ave N Shift Values>> N :: 121.6(4.72) E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.44 K 0.04 M 0.02 C Shift Assignments>> C :: 178.241 CA :: 60.145 CB :: 29.751 CG :: 36.919 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 :: 8.213 HA :: 3.583 HB2 :: 2.436 HB3 :: 1.986 HG2 :: 1.835 HG3 :: 2.492 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 :: 119.325 Ave N Shift Values>> N :: 120.68(3.68) K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.37 G 0.02 M 0.02 C Shift Assignments>> C :: 179.313 CA :: 58.961 CB :: 32.394 CG :: 24.872 CD :: 28.678 CE :: 42.418 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 :: 8.054 HA :: 4.167 HB2 :: 2.051 HB3 :: 1.996 HG2 :: 1.625 HG3 :: 1.597 HD2 :: 1.843 HD3 :: 1.761 HE2 :: 3.075 HE3 :: 3.075 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 :: 117.918 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 178.061 CA :: 47.296 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.443 HA2 :: 4.162 HA3 :: 4.048 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.548 Ave N Shift Values>> N :: 109.91(4.29) L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 L 0.17 G 0.16 K 0.05 HN Overlap>> I43 C Shift Assignments>> C :: 179.234 CA :: 57.751 CB :: 43.468 CG :: 27.554 CD1 :: 23.933 CD2 :: 28.193 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 :: 8.115 HA :: 4.535 HB2 :: 2.289 HB3 :: 1.597 HG :: 2.025 HD1 :: 1.156 HD2 :: 1.103 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 :: 122.869 Ave N Shift Values>> N :: 121.98(4.07) E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 E 0.33 K 0.03 M 0.01 HN Overlap>> R71 C Shift Assignments>> C :: 180.259 CA :: 60.653 CB :: 29.416 CG :: 37.108 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 :: 8.387 HA :: 3.987 HB2 :: 2.545 HB3 :: 2.214 HG2 :: 2.808 HG3 :: 2.550 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 :: 122.439 Ave N Shift Values>> N :: 120.68(3.68) D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 L 0.12 K 0.11 D 0.1 I 0.07 N 0.01 R 0.01 C Shift Assignments>> C :: 178.996 CA :: 57.544 CB :: 40.424 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 :: 8.625 HA :: 4.660 HB2 :: 3.003 HB3 :: 2.897 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 :: 121.001 Ave N Shift Values>> N :: 120.73(4.2) F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.44 C Shift Assignments>> C :: 177.435 CA :: 61.253 CB :: 40.050 CD1 :: 131.632 CD2 :: 131.653 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 :: 8.622 HA :: 4.461 HB2 :: 3.510 HB3 :: 3.208 HD1 :: 7.188 HD2 :: 7.187 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 :: 123.024 Ave N Shift Values>> N :: 120.69(4.18) Y121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.401 CA :: 62.846 CB :: 39.547 CD1 :: 133.471 CD2 :: 133.481 CE1 :: 117.797 CE2 :: 117.788 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 :: 9.120 HA :: 3.604 HB2 :: 3.565 HB3 :: 3.354 HD1 :: 7.057 HD2 :: 7.059 HE1 :: 6.312 HE2 :: 6.313 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 :: 122.228 Ave N Shift Values>> N :: 120.79(4.69) Y122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.400 CA :: 61.107 CB :: 38.710 CD1 :: 133.301 CD2 :: 133.289 CE1 :: 118.019 CE2 :: 118.025 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 :: 7.823 HA :: 4.339 HB2 :: 3.425 HB3 :: 3.183 HD1 :: 7.055 HD2 :: 7.056 HE1 :: 6.766 HE2 :: 6.769 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 :: 116.267 Ave N Shift Values>> N :: 120.79(4.69) S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.613 CA :: 61.354 CB :: 63.333 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.264 HA :: 4.090 HB2 :: 4.032 HB3 :: 4.030 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 :: 115.647 Ave N Shift Values>> N :: 116.3(3.95) V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.229 CA :: 64.021 CB :: 32.163 CG1 :: 21.528 CG2 :: 21.317 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 :: 7.667 HA :: 3.858 HB :: 1.483 HG1 :: 0.629 HG2 :: 0.355 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 :: 117.828 Ave N Shift Values>> N :: 121.02(4.96) G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 173.143 CA :: 45.877 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.353 HA2 :: 5.123 HA3 :: 3.822 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.823 Ave N Shift Values>> N :: 109.91(4.29) K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.36 L 0.05 G 0.02 C Shift Assignments>> C :: 174.949 CA :: 57.035 CB :: 29.313 CG :: 24.825 CD :: 28.578 CE :: 42.439 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 :: 7.723 HA :: 3.406 HB2 :: 1.844 HB3 :: 1.648 HG2 :: 1.127 HG3 :: 0.938 HD2 :: 1.447 HD3 :: 1.447 HE2 :: 2.899 HE3 :: 2.899 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 :: 113.879 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 HN Overlap>> L24 C Shift Assignments>> C :: 175.229 CA :: 56.926 CB :: 41.640 CD1 :: 133.313 CD2 :: 133.308 CE1 :: 117.808 CE2 :: 118.018 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 :: 7.395 HA :: 4.837 HB2 :: 3.169 HB3 :: 2.700 HD1 :: 7.086 HD2 :: 7.085 HE1 :: 6.316 HE2 :: 6.769 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 :: 117.661 Ave N Shift Values>> N :: 120.79(4.69) S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.784 CA :: 58.447 CB :: 64.485 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.650 HA :: 4.696 HB2 :: 3.882 HB3 :: 3.883 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 :: 116.552 Ave N Shift Values>> N :: 116.3(3.95) A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 A 0.36 M 0.14 K 0.04 C Shift Assignments>> C :: 176.230 CA :: 51.536 CB :: 22.565 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.541 HA :: 5.065 HB :: 0.860 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.092 Ave N Shift Values>> N :: 123.23(3.7) S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.152 CA :: 56.327 CB :: 65.202 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.989 HA :: 4.925 HB2 :: 3.804 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 :: 114.554 Ave N Shift Values>> N :: 116.3(3.95) V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.734 CA :: 60.864 CB :: 34.047 CG1 :: 21.518 CG2 :: 22.421 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 :: 9.235 HA :: 4.549 HB :: 1.768 HG1 :: 0.411 HG2 :: 0.343 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 :: 125.551 Ave N Shift Values>> N :: 121.02(4.96) K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.17 G 0.05 A 0.03 M 0.01 C Shift Assignments>> C :: 174.852 CA :: 53.138 CB :: 35.718 CG :: 24.203 CD :: 28.550 CE :: 42.151 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 :: 8.477 HA :: 4.743 HB2 :: 1.553 HB3 :: 1.644 HG2 :: 1.312 HG3 :: 1.264 HD2 :: 1.694 HD3 :: 1.695 HE2 :: 2.942 HE3 :: 2.941 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 :: 126.374 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A133 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.88 M 0.1 L 0.01 C Shift Assignments>> C :: 176.864 CA :: 50.842 CB :: 19.837 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.440(S) HA :: 5.068 HB :: 1.170 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.326 Ave N Shift Values>> N :: 123.23(3.7) V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.601 CA :: 62.463 CB :: 33.497 CG1 :: 20.681 CG2 :: 20.681 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 :: 9.703 HA :: 4.145 HB :: 2.037 HG1 :: 0.867 HG2 :: 0.867 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 :: 125.896 Ave N Shift Values>> N :: 121.02(4.96) V135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.024 CA :: 61.335 CB :: 32.659 CG1 :: 21.170 CG2 :: 21.977 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 :: 8.946 HA :: 4.751 HB :: 2.070 HG1 :: 0.834 HG2 :: 0.751 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 :: 130.910 Ave N Shift Values>> N :: 121.02(4.96) T136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> Q67 C Shift Assignments>> CA :: 59.703 CB :: 70.659 CG2 :: 21.108 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 :: 9.020 HA :: 4.937 HB :: 4.113 HG2 :: 1.273 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 :: 125.864 Ave N Shift Values>> N :: 115.7(5.05) P137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 S 0.01 C Shift Assignments>> C :: 175.080 CA :: 63.325 CB :: 32.838 CG :: 27.349 CD :: 51.872 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 :: 4.731 HB2 :: 2.401 HB3 :: 2.056 HG2 :: 2.240 HG3 :: 2.023 HD2 :: 4.014 HD3 :: 3.927 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) L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.17 A 0.17 R 0.02 HN Overlap>> V19 C Shift Assignments>> CA :: 52.092 CB :: 44.540 CG :: 26.667 CD1 :: 22.282 CD2 :: 26.512 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 :: 8.517 HA :: 4.870 HB2 :: 1.500 HB3 :: 1.217 HG :: 1.563 HD1 :: 0.865 HD2 :: 0.683 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 :: 123.380 Ave N Shift Values>> N :: 121.98(4.07) P139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.666 CA :: 63.353 CB :: 32.716 CG :: 27.790 CD :: 50.444 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 :: 4.456 HB2 :: 2.479 HB3 :: 1.743 HG2 :: 2.090 HG3 :: 2.050 HD2 :: 3.841 HD3 :: 3.519 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) R140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 K 0.19 R 0.17 G 0.14 C Shift Assignments>> C :: 176.165 CA :: 56.927 CB :: 26.571 CG :: 27.710 CD :: 43.472 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 :: 8.927 HA :: 3.892 HB2 :: 2.048 HB3 :: 1.931 HG2 :: 1.549 HG3 :: 1.550 HD2 :: 3.290 HD3 :: 3.205 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 :: 114.738 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 Y 0.11 E 0.09 D 0.08 F 0.06 M 0.05 K 0.01 L 0.01 C Shift Assignments>> C :: 174.085 CA :: 53.456 CB :: 37.293 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 :: 8.831 HA :: 4.636 HB2 :: 3.438 HB3 :: 2.438 HD21 :: 8.191 HD22 :: 6.367 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 :: 116.362 ND2 :: 110.536 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 K 0.15 R 0.13 C Shift Assignments>> C :: 176.364 CA :: 53.979 CB :: 35.214 CG :: 27.830 CD :: 43.959 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 :: 6.823 HA :: 5.600 HB2 :: 1.776 HB3 :: 1.538 HG2 :: 1.673 HG3 :: 1.656 HD2 :: 3.281 HD3 :: 3.184 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 :: 116.236 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.48 I 0.42 A 0.09 HN Overlap>> T108 C Shift Assignments>> C :: 174.716 CA :: 58.844 CB :: 36.013 CG1 :: 22.588 CG2 :: 18.599 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 :: 8.661 HA :: 5.307 HB :: 1.942 HG1 :: 0.718 HG2 :: 0.641 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 :: 111.014 Ave N Shift Values>> N :: 121.02(4.96) D144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.23 G 0.15 D 0.13 K 0.04 F 0.03 Y 0.02 N 0.01 C Shift Assignments>> C :: 174.240 CA :: 53.589 CB :: 43.586 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 :: 8.835 HA :: 4.788 HB2 :: 2.741 HB3 :: 2.403 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 :: 123.423 Ave N Shift Values>> N :: 120.73(4.2) L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.27 R 0.1 A 0.02 C Shift Assignments>> C :: 173.219 CA :: 53.566 CB :: 44.529 CG :: 25.901 CD1 :: 24.045 CD2 :: 27.445 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 :: 8.221 HA :: 4.928 HB2 :: 2.036 HB3 :: 1.034 HG :: 0.709 HD1 :: 0.745 HD2 :: 1.382 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 :: 125.100 Ave N Shift Values>> N :: 121.98(4.07) K146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.1 M 0.05 A 0.01 C Shift Assignments>> C :: 174.108 CA :: 54.060 CB :: 34.532 CG :: 24.413 CD :: 29.196 CE :: 41.226 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 :: 8.920 HA :: 5.056 HB2 :: 1.708 HB3 :: 1.620 HG2 :: 1.180 HG3 :: 1.050 HD2 :: 1.586 HD3 :: 1.552 HE2 :: 2.870 HE3 :: 2.806 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 :: 129.979 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.1 G 0.03 A 0.01 C Shift Assignments>> C :: 173.855 CA :: 52.837 CB :: 42.337 CG :: 27.872 CD1 :: 25.041 CD2 :: 24.446 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 :: 8.893 HA :: 4.894 HB2 :: 2.171 HB3 :: 1.227 HG :: 1.662 HD1 :: 0.812 HD2 :: 0.705 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 :: 129.462 Ave N Shift Values>> N :: 121.98(4.07) V148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.744 CA :: 61.733 CB :: 32.817 CG1 :: 21.229 CG2 :: 21.360 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 :: 8.899 HA :: 4.708 HB :: 2.080 HG1 :: 0.897 HG2 :: 0.867 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 :: 124.352 Ave N Shift Values>> N :: 121.02(4.96) F149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.483 CA :: 56.793 CB :: 40.806 CD1 :: 133.287 CD2 :: 133.284 CE1 :: 131.100 CE2 :: 131.100 CZ :: 129.279 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 :: 9.536 HA :: 4.947 HB2 :: 2.933 HB3 :: 2.297 HD1 :: 7.021 HD2 :: 7.020 HE1 :: 7.230 HE2 :: 7.233 HZ :: 7.221 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 :: 127.716 Ave N Shift Values>> N :: 120.69(4.18) Q150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.25 M 0.23 E 0.12 R 0.03 C Shift Assignments>> C :: 175.927 CA :: 54.457 CB :: 30.112 CG :: 33.747 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 :: 8.766 HA :: 4.809 HB2 :: 2.075 HB3 :: 1.953 HG2 :: 2.263 HG3 :: 2.260 HE21 :: 7.482 HE22 :: 6.822 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 :: 121.502 NE2 :: 111.281 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 E 0.27 M 0.22 K 0.18 I 0.01 R 0.01 C Shift Assignments>> C :: 177.408 CA :: 57.480 CB :: 30.548 CG :: 34.386 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 :: 9.230 HA :: 4.184 HB2 :: 2.126 HB3 :: 1.931 HG2 :: 2.311 HG3 :: 2.300 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 :: 126.694 Ave N Shift Values>> N :: 120.68(3.68) G152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 173.883 CA :: 45.603 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.790 HA2 :: 4.122 HA3 :: 4.040 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.180 Ave N Shift Values>> N :: 109.91(4.29) V153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> Q92 C Shift Assignments>> C :: 175.780 CA :: 61.817 CB :: 33.213 CG1 :: 21.219 CG2 :: 20.073 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 :: 7.749 HA :: 4.273 HB :: 2.121 HG1 :: 0.947 HG2 :: 0.928 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 :: 118.002 Ave N Shift Values>> N :: 121.02(4.96) S154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.576 CA :: 57.931 CB :: 63.880 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.404 HA :: 4.435 HB2 :: 3.849 HB3 :: 3.848 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 :: 118.582 Ave N Shift Values>> N :: 116.3(3.95) L155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.11 G 0.02 A 0.02 C Shift Assignments>> C :: 176.390 CA :: 55.201 CB :: 42.348 CG :: 27.057 CD1 :: 25.118 CD2 :: 23.351 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 :: 8.337 HA :: 4.350 HB2 :: 1.546 HB3 :: 1.543 HG :: 1.558 HD1 :: 0.843 HD2 :: 0.839 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 :: 125.032 Ave N Shift Values>> N :: 121.98(4.07) Q156 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H157 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H158 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H159 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H160 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q161 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T162 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A163 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G164 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 155 #Clerical: 0 #Suspicious: 8 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 154 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 164 #Suspicious: 0 C Shift Results: #Consistent: 667 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 858 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 1 N Shift Results: #Consistent: 159 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: R16 H = 11.498(M), Expected = 8.24, Std = 0.6000, ChiSquare = 5.6354e-08 T42 CB = 63.334(S), Expected = 69.64, Std = 1.7000, ChiSquare = 2.0774e-04 N51 HB2 = 1.671(S), Expected = 2.80, Std = 0.3400, ChiSquare = 8.9828e-04 N51 HB3 = 0.837(S), Expected = 2.78, Std = 0.3400, ChiSquare = 1.0989e-08 R59 HD3 = 2.290(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.3444e-04 E70 CG = 30.391(S), Expected = 36.01, Std = 1.5100, ChiSquare = 1.9828e-04 E70 HB2 = 3.117(S), Expected = 2.04, Std = 0.2200, ChiSquare = 9.8079e-07 E70 HB3 = 3.102(S), Expected = 2.04, Std = 0.2300, ChiSquare = 3.8859e-06 E70 HG2 = 3.244(S), Expected = 2.31, Std = 0.2100, ChiSquare = 8.6827e-06 E70 HG3 = 3.242(S), Expected = 2.31, Std = 0.2100, ChiSquare = 9.0758e-06 N82 HB3 = 1.360(S), Expected = 2.78, Std = 0.3400, ChiSquare = 2.9607e-05 D87 HA = 3.560(S), Expected = 4.61, Std = 0.3100, ChiSquare = 7.0636e-04 N93 HB3 = 1.641(S), Expected = 2.78, Std = 0.3400, ChiSquare = 8.0812e-04 A133 H = 10.440(S), Expected = 8.20, Std = 0.6000, ChiSquare = 1.8896e-04