M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.348 CA :: 61.838 CB :: 69.919 CG2 :: 21.714 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>> HA :: 4.479 HB :: 4.220 HG2 :: 1.188 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) T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.404 CA :: 62.140 CB :: 69.658 CG2 :: 21.732 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 :: 8.289 HA :: 4.282 HB :: 4.201 HG2 :: 1.175 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.640 Ave N Shift Values>> N :: 115.7(5.05) E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.1 M 0.07 Q 0.06 I 0.06 HN Overlap>> E8 K90 C Shift Assignments>> C :: 176.216 CA :: 56.929 CB :: 29.821 CG :: 36.136 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 :: 8.567 HA :: 4.156 HB2 :: 1.996 HB3 :: 1.867 HG2 :: 2.187 HG3 :: 2.276 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 :: 123.469 Ave N Shift Values>> N :: 120.68(3.68) Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 C 0.38 E 0.2 HN Overlap>> K36 C Shift Assignments>> C :: 175.216 CA :: 55.674 CB :: 29.553 CG :: 33.773 CD :: 180.444 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 :: 8.222 HA :: 4.167 HB2 :: 1.824 HB3 :: 1.876 HG2 :: 2.201 HG3 :: 2.186 HE21 :: 6.817 HE22 :: 7.487 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.797 NE2 :: 112.301 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.11 K 0.08 Q 0.06 I 0.03 C Shift Assignments>> C :: 175.870 CA :: 56.400 CB :: 30.335 CG :: 36.084 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 :: 8.171 HA :: 4.080 HB2 :: 1.760 HB3 :: 1.802 HG2 :: 1.962 HG3 :: 2.021 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 :: 122.100 Ave N Shift Values>> N :: 120.68(3.68) F7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.22 C 0.18 D 0.12 L 0.08 I 0.05 N 0.04 K 0.03 E 0.01 C Shift Assignments>> C :: 175.461 CA :: 56.825 CB :: 39.812 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 :: 8.051 HA :: 4.710 HB2 :: 2.706 HB3 :: 3.186 HD1 :: 7.243 HD2 :: 7.243 HE1 :: 7.275 HE2 :: 7.275 HZ :: 7.205 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 :: 120.500 Ave N Shift Values>> N :: 120.69(4.18) E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.14 K 0.05 Q 0.04 I 0.04 HN Overlap>> E4 K90 C Shift Assignments>> C :: 176.141 CA :: 56.932 CB :: 30.794 CG :: 36.180 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 :: 8.626 HA :: 4.193 HB2 :: 1.943 HB3 :: 1.987 HG2 :: 2.299 HG3 :: 2.222 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 :: 123.469 Ave N Shift Values>> N :: 120.68(3.68) K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.18 M 0.03 HN Overlap>> L12 C Shift Assignments>> C :: 176.168 CA :: 55.428 CB :: 34.214 CG :: 24.975 CD :: 29.629 CE :: 41.893 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 :: 8.396 HA :: 5.100 HB2 :: 1.677 HB3 :: 1.628 HG2 :: 1.403 HG3 :: 1.306 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.881 HE3 :: 2.919 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 :: 124.954 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 174.967 CA :: 60.951 CB :: 34.681 CG1 :: 21.093 CG2 :: 20.657 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 :: 9.445 HA :: 4.278 HB :: 1.914 HG1 :: 0.854 HG2 :: 0.810 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 :: 124.360 Ave N Shift Values>> N :: 121.02(4.96) E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 K 0.12 I 0.08 Q 0.05 M 0.01 C Shift Assignments>> C :: 174.797 CA :: 56.728 CB :: 28.655 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>> H :: 9.021 HA :: 4.369 HB2 :: 2.041 HB3 :: 1.997 HG2 :: 2.301 HG3 :: 2.222 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 :: 127.924 Ave N Shift Values>> N :: 120.68(3.68) L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.27 R 0.11 G 0.03 A 0.01 HN Overlap>> K9 C Shift Assignments>> C :: 176.600 CA :: 55.292 CB :: 42.624 CG :: 27.242 CD1 :: 25.214 CD2 :: 23.334 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 :: 8.396 HA :: 4.311 HB2 :: 1.483 HB3 :: 1.576 HG :: 1.669 HD1 :: 0.908 HD2 :: 0.824 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 :: 124.954 Ave N Shift Values>> N :: 121.98(4.07) T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.32 C Shift Assignments>> C :: 175.180 CA :: 59.603 CB :: 70.742 CG2 :: 23.070 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 :: 7.328 HA :: 4.530 HB :: 4.241 HG2 :: 0.775 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 :: 106.841 Ave N Shift Values>> N :: 115.7(5.05) A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.4 C 0.02 I 0.01 C Shift Assignments>> C :: 177.522 CA :: 53.875 CB :: 17.920 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.689 HA :: 4.247 HB :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.733 Ave N Shift Values>> N :: 123.23(3.7) D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.21 L 0.14 C 0.11 K 0.06 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 177.402 CA :: 52.635 CB :: 40.912 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 :: 7.516 HA :: 4.518 HB2 :: 2.631 HB3 :: 3.150 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 :: 113.967 Ave N Shift Values>> N :: 120.73(4.2) G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 175.233 CA :: 45.798 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.986 HA2 :: 4.080 HA3 :: 3.529 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.919 Ave N Shift Values>> N :: 109.91(4.29) G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 172.684 CA :: 46.672 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.681 HA2 :: 4.513 HA3 :: 4.513 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.663 Ave N Shift Values>> N :: 109.91(4.29) V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 174.737 CA :: 62.035 CB :: 33.315 CG1 :: 22.218 CG2 :: 21.810 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 :: 6.903 HA :: 4.855 HB :: 1.727 HG1 :: 0.647 HG2 :: 0.313 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 :: 117.234 Ave N Shift Values>> N :: 121.02(4.96) I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.34 G 0.01 C Shift Assignments>> C :: 174.360 CA :: 60.736 CB :: 41.856 CG1 :: 27.851 CG2 :: 17.013 CD1 :: 14.018 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 :: 8.243 HA :: 4.665 HB :: 1.692 HG2 :: 0.925 HG12 :: 1.580 HG13 :: 1.566 HD1 :: 0.800 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.439 Ave N Shift Values>> N :: 121.6(4.72) K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.38 K 0.18 G 0.02 C Shift Assignments>> C :: 173.618 CA :: 54.842 CB :: 36.261 CG :: 26.334 CD :: 28.970 CE :: 42.461 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 :: 9.345 HA :: 5.296 HB2 :: 1.769 HB3 :: 1.470 HG2 :: 1.062 HG3 :: 1.100 HD2 :: 1.630 HD3 :: 1.707 HE2 :: 2.379 HE3 :: 2.708 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 :: 129.408 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.648 CA :: 61.703 CB :: 70.230 CG2 :: 21.347 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 :: 9.597 HA :: 4.923 HB :: 4.000 HG2 :: 1.001 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 :: 123.469 Ave N Shift Values>> N :: 115.7(5.05) I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 174.348 CA :: 64.258 CB :: 37.551 CG1 :: 28.517 CG2 :: 17.307 CD1 :: 13.020 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.248 HA :: 3.637 HB :: 1.847 HG2 :: 0.836 HG12 :: 1.528 HG13 :: 1.553 HD1 :: 0.753 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 :: 128.517 Ave N Shift Values>> N :: 121.6(4.72) L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.28 A 0.1 R 0.09 G 0.01 C Shift Assignments>> C :: 177.521 CA :: 55.460 CB :: 42.239 CG :: 26.868 CD1 :: 25.625 CD2 :: 21.693 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 :: 8.498 HA :: 4.180 HB2 :: 1.337 HB3 :: 1.198 HG :: 1.448 HD1 :: 0.698 HD2 :: 0.396 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 :: 128.517 Ave N Shift Values>> N :: 121.98(4.07) K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.31 R 0.2 M 0.03 G 0.01 C Shift Assignments>> C :: 174.465 CA :: 55.848 CB :: 35.692 CG :: 24.462 CD :: 29.711 CE :: 42.324 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 :: 8.020 HA :: 4.392 HB2 :: 1.727 HB3 :: 1.698 HG2 :: 1.451 HG3 :: 1.410 HD2 :: 1.664 HD3 :: 1.649 HE2 :: 2.959 HE3 :: 2.955 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.797 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.19 M 0.03 C Shift Assignments>> C :: 177.616 CA :: 57.218 CB :: 32.846 CG :: 25.160 CD :: 29.660 CE :: 41.874 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 :: 8.657 HA :: 4.178 HB2 :: 1.700 HB3 :: 1.765 HG2 :: 1.518 HG3 :: 1.519 HD2 :: 1.830 HD3 :: 1.883 HE2 :: 2.992 HE3 :: 2.968 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 :: 126.439 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.27 G 0.14 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 173.278 CA :: 43.709 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.728 HA2 :: 3.408 HA3 :: 4.120 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.404 Ave N Shift Values>> N :: 109.91(4.29) D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.19 K 0.18 C 0.1 F 0.08 R 0.08 Y 0.07 N 0.04 C Shift Assignments>> C :: 175.993 CA :: 55.105 CB :: 41.688 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 :: 8.550 HA :: 4.401 HB2 :: 2.304 HB3 :: 2.686 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 :: 121.391 Ave N Shift Values>> N :: 120.73(4.2) E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.12 I 0.05 K 0.04 Q 0.03 C Shift Assignments>> C :: 176.146 CA :: 57.076 CB :: 30.774 CG :: 36.413 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 :: 8.419 HA :: 4.063 HB2 :: 2.023 HB3 :: 1.907 HG2 :: 2.301 HG3 :: 2.243 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 :: 120.203 Ave N Shift Values>> N :: 120.68(3.68) G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 HN Overlap>> G72 C Shift Assignments>> C :: 175.976 CA :: 44.686 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.364 HA2 :: 4.758 HA3 :: 4.584 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.404 Ave N Shift Values>> N :: 109.91(4.29) E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.2 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.872 CA :: 59.045 CB :: 29.030 CG :: 36.349 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 :: 8.867 HA :: 3.749 HB2 :: 2.052 HB3 :: 2.052 HG2 :: 2.324 HG3 :: 2.324 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 :: 125.251 Ave N Shift Values>> N :: 120.68(3.68) E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.25 K 0.17 Q 0.13 I 0.07 R 0.01 C Shift Assignments>> C :: 176.330 CA :: 57.437 CB :: 28.040 CG :: 35.517 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 :: 9.842 HA :: 4.312 HB2 :: 2.122 HB3 :: 2.099 HG2 :: 2.220 HG3 :: 2.222 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.421 Ave N Shift Values>> N :: 120.68(3.68) N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.2 C 0.13 L 0.12 F 0.09 Y 0.09 K 0.03 C Shift Assignments>> C :: 172.750 CA :: 54.111 CB :: 40.161 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 :: 7.731 HA :: 5.127 HB2 :: 2.582 HB3 :: 2.974 HD21 :: 7.254 HD22 :: 7.057 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 :: 116.937 ND2 :: 116.310 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.46 A 0.01 C Shift Assignments>> CA :: 57.895 CB :: 40.609 CG1 :: 27.714 CG2 :: 15.631 CD1 :: 13.427 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 :: 7.105 HA :: 4.793 HB :: 1.626 HG2 :: 0.849 HG12 :: 1.626 HG13 :: 1.510 HD1 :: 0.761 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 :: 121.985 Ave N Shift Values>> N :: 121.6(4.72) P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 173.754 CA :: 61.962 CB :: 31.877 CG :: 26.415 CD :: 50.148 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 :: 4.065 HB2 :: 2.311 HB3 :: 2.329 HG2 :: 1.812 HG3 :: 1.843 HD2 :: 3.515 HD3 :: 3.583 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) K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.38 R 0.13 G 0.03 C Shift Assignments>> C :: 175.712 CA :: 53.404 CB :: 35.229 CG :: 25.114 CD :: 27.927 CE :: 42.458 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 :: 7.101 HA :: 4.377 HB2 :: 1.479 HB3 :: 1.790 HG2 :: 1.406 HG3 :: 1.309 HD2 :: 1.520 HD3 :: 1.609 HE2 :: 2.979 HE3 :: 2.979 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.046 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.17 M 0.04 HN Overlap>> Q5 C Shift Assignments>> C :: 176.774 CA :: 58.608 CB :: 32.089 CG :: 24.135 CD :: 29.474 CE :: 41.918 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 :: 8.144 HA :: 3.515 HB2 :: 1.610 HB3 :: 1.656 HG2 :: 1.163 HG3 :: 1.191 HD2 :: 1.455 HD3 :: 1.791 HE2 :: 2.998 HE3 :: 2.980 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 :: 120.797 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.15 C 0.09 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 175.329 CA :: 44.853 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.113 HA2 :: 3.494 HA3 :: 4.330 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.967 Ave N Shift Values>> N :: 109.91(4.29) N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.27 C 0.2 C Shift Assignments>> C :: 174.878 CA :: 53.557 CB :: 39.155 CG :: 176.447 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 :: 8.447 HA :: 4.663 HB2 :: 2.659 HB3 :: 2.624 HD21 :: 7.405 HD22 :: 7.197 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.828 ND2 :: 110.734 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 E 0.34 M 0.15 I 0.03 K 0.01 C Shift Assignments>> C :: 175.656 CA :: 55.804 CB :: 31.464 CG :: 37.173 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 :: 8.331 HA :: 4.254 HB2 :: 1.850 HB3 :: 1.921 HG2 :: 1.707 HG3 :: 1.581(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 :: 121.094 Ave N Shift Values>> N :: 120.68(3.68) V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 C Shift Assignments>> C :: 173.240 CA :: 59.559 CB :: 32.896 CG1 :: 22.672 CG2 :: 19.505 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 :: 9.138 HA :: 4.699 HB :: 1.550 HG1 :: 0.584 HG2 :: -0.031 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 :: 125.845 Ave N Shift Values>> N :: 121.02(4.96) T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.455 CA :: 61.964 CB :: 69.623 CG2 :: 22.108 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 :: 8.328 HA :: 4.982 HB :: 3.924 HG2 :: 0.906 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 :: 117.531 Ave N Shift Values>> N :: 115.7(5.05) V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.16 A 0.05 I 0.01 C Shift Assignments>> C :: 174.919 CA :: 57.930 CB :: 35.321 CG1 :: 19.448 CG2 :: 21.912 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 :: 9.581 HA :: 5.669 HB :: 2.237 HG1 :: 1.100 HG2 :: 0.801 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) H43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 M 0.18 E 0.14 K 0.09 Q 0.08 N 0.08 Y 0.03 H 0.01 F 0.01 W 0.01 C Shift Assignments>> C :: 176.136 CA :: 54.147 CB :: 35.339 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 :: 8.333 HA :: 5.407 HB2 :: 2.210 HB3 :: 2.518 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 :: 119.906 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.27 C 0.12 G 0.07 K 0.06 F 0.05 D 0.05 Y 0.04 C Shift Assignments>> C :: 172.857 CA :: 56.304 CB :: 43.537 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 :: 9.622 HA :: 6.247 HB2 :: 2.756 HB3 :: 3.005 HD1 :: 6.949 HD2 :: 6.949 HE1 :: 6.565 HE2 :: 6.565 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 :: 117.234 Ave N Shift Values>> N :: 120.79(4.69) V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.37 I 0.01 C Shift Assignments>> C :: 175.200 CA :: 62.212 CB :: 35.550 CG1 :: 20.437 CG2 :: 21.641 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 :: 8.735 HA :: 4.520 HB :: 2.100 HG1 :: 1.060 HG2 :: 1.138 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 :: 118.125 Ave N Shift Values>> N :: 121.02(4.96) G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 170.771 CA :: 45.601 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.126 HA2 :: 4.539 HA3 :: 4.506 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.858 Ave N Shift Values>> N :: 109.91(4.29) K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.3 K 0.16 M 0.02 G 0.01 HN Overlap>> F65 C Shift Assignments>> C :: 175.830 CA :: 53.937 CB :: 37.021 CG :: 25.028 CD :: 30.157 CE :: 41.979 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 :: 9.121 HA :: 5.176 HB2 :: 1.315 HB3 :: 1.352 HG2 :: 1.023 HG3 :: 1.152 HD2 :: 1.346 HD3 :: 1.449 HE2 :: 2.635 HE3 :: 2.688 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.469 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 R 0.28 L 0.11 K 0.05 G 0.01 A 0.01 C Shift Assignments>> C :: 178.031 CA :: 54.231 CB :: 41.678 CG :: 24.532 CD1 :: 26.197 CD2 :: 28.063 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 :: 8.016 HA :: 4.692 HB2 :: 1.993 HB3 :: 1.960 HG :: 1.993 HD1 :: 1.057 HD2 :: 1.909(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.391 Ave N Shift Values>> N :: 121.98(4.07) E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.33 E 0.25 M 0.01 K 0.01 C Shift Assignments>> C :: 178.118 CA :: 59.974 CB :: 30.322 CG :: 37.653 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 :: 8.085 HA :: 3.835 HB2 :: 2.066 HB3 :: 1.724 HG2 :: 2.123 HG3 :: 2.168 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.954 Ave N Shift Values>> N :: 120.68(3.68) S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.751 CA :: 60.230 CB :: 62.229 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.220 HA :: 4.154 HB2 :: 3.953 HB3 :: 4.024 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 :: 112.186 Ave N Shift Values>> N :: 116.3(3.95) T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 176.342 CA :: 60.760 CB :: 71.046 CG2 :: 21.707 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.784 HA :: 4.520 HB :: 4.381 HG2 :: 1.225 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 :: 105.653 Ave N Shift Values>> N :: 115.7(5.05) G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 173.336 CA :: 45.711 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.296 HA2 :: 3.680 HA3 :: 4.096 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.483 Ave N Shift Values>> N :: 109.91(4.29) K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.02 G 0.01 C Shift Assignments>> C :: 176.513 CA :: 56.217 CB :: 33.430 CG :: 24.806 CD :: 28.941 CE :: 42.297 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 :: 7.479 HA :: 4.218 HB2 :: 1.681 HB3 :: 1.739 HG2 :: 1.365 HG3 :: 1.423 HD2 :: 1.681 HD3 :: 1.681 HE2 :: 3.005 HE3 :: 3.043 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 :: 119.609 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.879 CA :: 62.409 CB :: 32.697 CG1 :: 20.961 CG2 :: 22.151 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 :: 8.511 HA :: 4.244 HB :: 1.924 HG1 :: 0.924 HG2 :: 0.838 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.109 Ave N Shift Values>> N :: 121.02(4.96) F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.16 Y 0.14 C 0.14 L 0.14 K 0.08 N 0.07 I 0.01 R 0.01 C Shift Assignments>> C :: 174.856 CA :: 55.758 CB :: 40.399 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 :: 8.325 HA :: 5.036 HB2 :: 2.713 HB3 :: 3.293 HD1 :: 7.028 HD2 :: 7.028 HE1 :: 7.234 HE2 :: 7.234 HZ :: 6.862 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 :: 124.063 Ave N Shift Values>> N :: 120.69(4.18) D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.26 C 0.11 G 0.09 D 0.08 K 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.688 CA :: 54.956 CB :: 43.616 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.884 HA :: 4.801 HB2 :: 2.380 HB3 :: 3.394 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.500 Ave N Shift Values>> N :: 120.73(4.2) S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.997 CA :: 55.792 CB :: 64.961 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.038 HA :: 4.796 HB2 :: 4.005 HB3 :: 3.721 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 :: 118.421 Ave N Shift Values>> N :: 116.3(3.95) S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 177.399 CA :: 61.499 CB :: 65.069 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.429 HA :: 4.080 HB2 :: 3.558 HB3 :: 3.558 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 :: 123.766 Ave N Shift Values>> N :: 116.3(3.95) F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.19 Y 0.19 F 0.16 E 0.03 C Shift Assignments>> C :: 178.929 CA :: 61.010 CB :: 38.129 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.276 HA :: 3.851 HB2 :: 2.514 HB3 :: 2.993 HD1 :: 6.841 HD2 :: 6.841 HE1 :: 7.058 HE2 :: 7.058 HZ :: 6.898 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 :: 121.845 Ave N Shift Values>> N :: 120.69(4.18) D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 C 0.16 D 0.12 L 0.11 K 0.08 I 0.04 N 0.03 C Shift Assignments>> C :: 177.295 CA :: 56.921 CB :: 40.298 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 :: 7.534 HA :: 4.343 HB2 :: 2.731 HB3 :: 2.702 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 :: 119.015 Ave N Shift Values>> N :: 120.73(4.2) R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.29 K 0.26 G 0.06 C Shift Assignments>> C :: 175.798 CA :: 55.209 CB :: 32.610 CG :: 28.799 CD :: 43.286 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 :: 7.224 HA :: 4.378 HB2 :: 1.962 HB3 :: 1.999 HG2 :: 1.719 HG3 :: 1.675 HD2 :: 3.218 HD3 :: 3.425 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.452 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.34 C 0.27 E 0.01 C Shift Assignments>> C :: 173.776 CA :: 54.269 CB :: 38.597 CG :: 178.097 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 :: 7.946 HA :: 4.392 HB2 :: 3.239 HB3 :: 2.273 HD21 :: 6.795 HD22 :: 7.541 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.196 ND2 :: 111.707 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.3 I 0.01 C Shift Assignments>> CA :: 62.601 CB :: 35.186 CG1 :: 20.345 CG2 :: 21.608 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 :: 7.278 HA :: 4.628 HB :: 2.082 HG1 :: 0.846 HG2 :: 0.791 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 :: 115.155 Ave N Shift Values>> N :: 121.02(4.96) P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 174.254 CA :: 62.601 CB :: 31.977 CG :: 26.203 CD :: 50.378 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 :: 4.516 HB2 :: 2.345 HB3 :: 2.370 HG2 :: 1.874 HG3 :: 1.859 HD2 :: 3.481 HD3 :: 3.588 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) F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.2 K 0.14 C 0.12 F 0.09 Y 0.06 D 0.05 G 0.02 I 0.01 HN Overlap>> K47 C Shift Assignments>> C :: 173.320 CA :: 57.292 CB :: 42.894 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 :: 9.109 HA :: 4.821 HB2 :: 3.195 HB3 :: 3.514 HD1 :: 7.307 HD2 :: 7.307 HE1 :: 7.080 HE2 :: 7.080 HZ :: 6.474 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 :: 123.469 Ave N Shift Values>> N :: 120.69(4.18) K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.34 R 0.2 M 0.03 G 0.01 C Shift Assignments>> C :: 175.026 CA :: 53.876 CB :: 35.471 CG :: 24.844 CD :: 29.802 CE :: 42.125 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 :: 7.474 HA :: 5.378 HB2 :: 1.242 HB3 :: 1.204 HG2 :: 1.108 HG3 :: 1.094 HD2 :: 1.410 HD3 :: 1.352 HE2 :: 2.823 HE3 :: 2.716 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 :: 125.548 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.16 Y 0.16 C 0.15 L 0.12 N 0.09 K 0.05 I 0.02 C Shift Assignments>> C :: 172.049 CA :: 55.662 CB :: 40.087 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 :: 8.114 HA :: 4.469 HB2 :: 2.940 HB3 :: 3.054 HD1 :: 6.995 HD2 :: 6.995 HE1 :: 7.303 HE2 :: 7.303 HZ :: 6.868 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 :: 115.419 Ave N Shift Values>> N :: 120.69(4.18) H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.14 R 0.12 C 0.11 W 0.09 E 0.08 L 0.07 M 0.02 I 0.01 HN Overlap>> E73 C Shift Assignments>> C :: 174.742 CA :: 55.348 CB :: 28.470 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 :: 8.983 HA :: 5.482 HB2 :: 2.917 HB3 :: 2.613 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 :: 118.421 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.28 G 0.05 R 0.02 C Shift Assignments>> CA :: 56.060 CB :: 42.903 CG :: 26.005 CD1 :: 23.716 CD2 :: 24.484 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 :: 8.317 HA :: 4.016 HB2 :: 1.804 HB3 :: 1.018 HG :: 1.433 HD1 :: 1.025 HD2 :: 0.467 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 :: 126.736 Ave N Shift Values>> N :: 121.98(4.07) E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.35 E 0.17 K 0.02 L 0.01 C Shift Assignments>> C :: 174.818 CA :: 58.625 CB :: 27.456 CG :: 37.515 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 :: 9.618 HA :: 3.847 HB2 :: 1.847 HB3 :: 2.447 HG2 :: 2.091 HG3 :: 2.149 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.954 Ave N Shift Values>> N :: 120.68(3.68) Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 C 0.37 E 0.19 C Shift Assignments>> CA :: 54.218 CB :: 30.422 CG :: 34.235 CD :: 180.130 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 :: 8.248 HA :: 4.678 HB2 :: 1.846 HB3 :: 1.921 HG2 :: 2.217 HG3 :: 2.266 HE21 :: 7.084 HE22 :: 6.814 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.858 NE2 :: 111.410 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 HN Overlap>> G29 C Shift Assignments>> C :: 175.783 CA :: 46.838 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.362 HA2 :: 4.145 HA3 :: 4.059 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.404 Ave N Shift Values>> N :: 109.91(4.29) E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.37 M 0.12 I 0.06 K 0.01 HN Overlap>> H68 C Shift Assignments>> C :: 175.522 CA :: 57.443 CB :: 31.378 CG :: 36.894 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 :: 9.085 HA :: 4.187 HB2 :: 2.130 HB3 :: 2.286 HG2 :: 2.357 HG3 :: 2.368 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.421 Ave N Shift Values>> N :: 120.68(3.68) V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 A 0.09 I 0.03 V 0.02 C Shift Assignments>> C :: 175.773 CA :: 57.468 CB :: 36.344 CG1 :: 18.182 CG2 :: 21.648 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 :: 6.862 HA :: 4.281 HB :: 1.140 HG1 :: 0.361 HG2 :: -0.040 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 :: 108.919 Ave N Shift Values>> N :: 121.02(4.96) I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 177.618 CA :: 62.213 CB :: 37.337 CG1 :: 24.757 CG2 :: 17.288 CD1 :: 14.443 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 :: 7.462 HA :: 3.844 HB :: 1.982 HG2 :: -0.056 HG12 :: 0.988 HG13 :: 0.988 HD1 :: 0.568 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 :: 113.373 Ave N Shift Values>> N :: 121.6(4.72) K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.39 R 0.14 M 0.01 HN Overlap>> D103 C Shift Assignments>> C :: 180.009 CA :: 59.482 CB :: 32.740 CG :: 25.021 CD :: 29.163 CE :: 41.897 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 :: 9.047 HA :: 4.282 HB2 :: 1.972 HB3 :: 1.928 HG2 :: 1.516 HG3 :: 1.689 HD2 :: 1.839 HD3 :: 1.839 HE2 :: 3.008 HE3 :: 2.997 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 :: 124.954 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.23 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 175.261 CA :: 47.402 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.775 HA2 :: 3.786 HA3 :: 3.618 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.199 Ave N Shift Values>> N :: 109.91(4.29) W78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.14 W 0.11 P 0.1 E 0.05 R 0.04 K 0.04 V 0.04 H 0.03 Q 0.03 C Shift Assignments>> C :: 177.610 CA :: 61.524 CB :: 28.655 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.817 HA :: 4.017 HB2 :: 2.692 HB3 :: 3.031 HD1 :: 6.528 HE3 :: 6.023 HZ2 :: 6.860 HZ3 :: 7.503 HH2 :: 7.722 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.203 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.17 K 0.17 C 0.15 L 0.09 I 0.06 R 0.04 D 0.04 C Shift Assignments>> C :: 179.125 CA :: 58.492 CB :: 41.181 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.967 HA :: 4.738 HB2 :: 2.739 HB3 :: 2.786 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 :: 121.688 Ave N Shift Values>> N :: 120.73(4.2) I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.849 CA :: 64.758 CB :: 39.198 CG1 :: 28.771 CG2 :: 17.864 CD1 :: 15.000 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 :: 8.173 HA :: 3.617 HB :: 1.486 HG2 :: 0.692 HG12 :: 1.055 HG13 :: 1.076 HD1 :: 0.697 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.125 Ave N Shift Values>> N :: 121.6(4.72) C81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.41 I 0.41 C 0.07 W 0.03 R 0.01 V 0.01 C Shift Assignments>> C :: 178.812 CA :: 63.059 CB :: 27.732 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.961 HA :: 4.456 HB2 :: 2.791 HB3 :: 2.425 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.937 Ave N Shift Values>> N :: 119.95(4.79) V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 176.456 CA :: 66.977 CB :: 30.171 CG1 :: 22.594 CG2 :: 22.594 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 :: 9.434 HA :: 3.476 HB :: 2.128 HG1 :: 0.961 HG2 :: 0.880 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 :: 121.688 Ave N Shift Values>> N :: 121.02(4.96) S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.661 CA :: 61.551 CB :: 63.239 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.541 HA :: 3.964 HB2 :: 3.779 HB3 :: 3.941 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 :: 111.889 Ave N Shift Values>> N :: 116.3(3.95) S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 174.314 CA :: 58.440 CB :: 65.929 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.471 HA :: 4.530 HB2 :: 3.805 HB3 :: 4.123 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 :: 114.264 Ave N Shift Values>> N :: 116.3(3.95) M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.32 M 0.21 I 0.02 Q 0.02 K 0.01 C Shift Assignments>> C :: 172.768 CA :: 56.502 CB :: 36.378 CG :: 31.940 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 :: 7.441 HA :: 4.262 HB2 :: 1.938 HB3 :: 1.952 HG2 :: 2.258 HG3 :: 2.268 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 :: 124.657 Ave N Shift Values>> N :: 120.1(3.88) R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.2 G 0.03 C Shift Assignments>> C :: 177.468 CA :: 53.395 CB :: 33.244 CG :: 28.500 CD :: 42.578 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 :: 7.045 HA :: 4.879 HB2 :: 1.402 HB3 :: 2.070 HG2 :: 1.576 HG3 :: 1.626 HD2 :: 3.021 HD3 :: 3.093 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 :: 114.264 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.41 R 0.14 M 0.01 C Shift Assignments>> C :: 175.382 CA :: 60.175 CB :: 33.195 CG :: 25.622 CD :: 29.668 CE :: 41.445 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 :: 8.818 HA :: 3.554 HB2 :: 1.764 HB3 :: 1.825 HG2 :: 1.170 HG3 :: 1.400 HD2 :: 1.637 HD3 :: 1.667 HE2 :: 2.838 HE3 :: 3.007 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.391 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.26 Y 0.14 F 0.07 M 0.07 I 0.04 N 0.04 K 0.03 C Shift Assignments>> C :: 174.124 CA :: 56.703 CB :: 36.677 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 :: 8.943 HA :: 4.291 HB2 :: 3.484 HB3 :: 2.918 HD21 :: 8.153 HD22 :: 6.838 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 :: 116.640 ND2 :: 116.051 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 E 0.17 M 0.12 I 0.01 C Shift Assignments>> C :: 174.903 CA :: 56.190 CB :: 33.096 CG :: 37.674 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 :: 8.677 HA :: 4.358 HB2 :: 2.240 HB3 :: 2.143 HG2 :: 2.641 HG3 :: 2.641 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 :: 122.876 Ave N Shift Values>> N :: 120.68(3.68) K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.37 K 0.19 G 0.01 HN Overlap>> E4 E8 C Shift Assignments>> C :: 175.593 CA :: 54.210 CB :: 36.189 CG :: 26.226 CD :: 29.747 CE :: 42.004 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 :: 8.580 HA :: 5.542 HB2 :: 1.588 HB3 :: 1.649 HG2 :: 1.400 HG3 :: 1.734 HD2 :: 1.734 HD3 :: 1.609 HE2 :: 2.807 HE3 :: 2.741 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.469 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) C91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.18 K 0.16 Q 0.1 H 0.09 R 0.09 W 0.07 E 0.04 C Shift Assignments>> C :: 170.527 CA :: 54.690 CB :: 32.542 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.673 HA :: 5.524 HB2 :: 2.853 HB3 :: 2.862 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.579 Ave N Shift Values>> N :: 119.95(4.79) L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.33 C 0.18 R 0.01 A 0.01 C Shift Assignments>> C :: 175.596 CA :: 53.413 CB :: 44.972 CG :: 27.790 CD1 :: 24.578 CD2 :: 23.946 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 :: 8.984 HA :: 5.458 HB2 :: 1.730 HB3 :: 1.446 HG :: 1.473 HD1 :: 1.062 HD2 :: 0.901 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 :: 122.282 Ave N Shift Values>> N :: 121.98(4.07) V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.21 A 0.02 I 0.01 C Shift Assignments>> C :: 171.051 CA :: 58.200 CB :: 35.276 CG1 :: 22.829 CG2 :: 20.343 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 :: 10.107 HA :: 5.506 HB :: 2.088 HG1 :: 0.739 HG2 :: 1.092 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.224 Ave N Shift Values>> N :: 121.02(4.96) R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.31 K 0.31 G 0.03 C Shift Assignments>> C :: 175.823 CA :: 56.219 CB :: 32.039 CG :: 28.711 CD :: 42.872 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 :: 8.949 HA :: 5.133 HB2 :: 1.771 HB3 :: 1.471 HG2 :: 1.179 HG3 :: 1.197 HD2 :: 3.057 HD3 :: 2.967 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 :: 130.596 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 M 0.01 C Shift Assignments>> C :: 175.215 CA :: 60.582 CB :: 37.359 CG1 :: 29.236 CG2 :: 18.795 CD1 :: 14.509 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.655 HA :: 4.899 HB :: 1.917 HG2 :: 1.022 HG12 :: 1.103 HG13 :: 0.916 HD1 :: 0.980 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 :: 129.905 Ave N Shift Values>> N :: 121.6(4.72) E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.36 I 0.16 K 0.03 M 0.02 C Shift Assignments>> C :: 177.897 CA :: 57.568 CB :: 29.676 CG :: 37.489 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 :: 9.213 HA :: 4.320 HB2 :: 2.457 HB3 :: 2.074 HG2 :: 2.791 HG3 :: 2.785 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 :: 126.439 Ave N Shift Values>> N :: 120.68(3.68) S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 178.668 CA :: 62.800 CB :: 64.591 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.693 HA :: 4.370 HB2 :: 3.702 HB3 :: 3.797 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 :: 115.749 Ave N Shift Values>> N :: 116.3(3.95) M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.4 I 0.12 K 0.02 Q 0.01 HN Overlap>> C106 C Shift Assignments>> C :: 179.250 CA :: 58.702 CB :: 31.047 CG :: 36.743 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.937 HA :: 4.170 HB2 :: 1.971 HB3 :: 1.916 HG2 :: 2.291 HG3 :: 2.250 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.985 Ave N Shift Values>> N :: 120.1(3.88) Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.19 I 0.1 D 0.05 L 0.04 K 0.01 E 0.01 N 0.01 C Shift Assignments>> C :: 173.125 CA :: 58.064 CB :: 39.570 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 :: 7.927 HA :: 4.435 HB2 :: 2.846 HB3 :: 2.557 HD1 :: 6.626 HD2 :: 6.626 HE1 :: 6.934 HE2 :: 6.934 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 :: 116.640 Ave N Shift Values>> N :: 120.79(4.69) G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 173.213 CA :: 45.062 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.802 HA2 :: 3.223 HA3 :: 4.309 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.998 Ave N Shift Values>> N :: 109.91(4.29) Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.23 I 0.18 F 0.16 E 0.12 M 0.01 C Shift Assignments>> C :: 176.014 CA :: 58.944 CB :: 37.732 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 :: 9.407 HA :: 4.443 HB2 :: 2.372 HB3 :: 3.148 HD1 :: 6.974 HD2 :: 6.974 HE1 :: 6.517 HE2 :: 6.517 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 :: 126.439 Ave N Shift Values>> N :: 120.79(4.69) G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 175.685 CA :: 46.447 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.231 HA2 :: 4.001 HA3 :: 3.715 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.138 Ave N Shift Values>> N :: 109.91(4.29) D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.17 D 0.16 Y 0.15 L 0.14 C 0.14 K 0.11 N 0.04 I 0.02 R 0.01 HN Overlap>> K76 C Shift Assignments>> C :: 176.677 CA :: 56.352 CB :: 40.640 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 :: 8.983 HA :: 4.277 HB2 :: 2.647 HB3 :: 2.614 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 :: 124.954 Ave N Shift Values>> N :: 120.73(4.2) E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.12 K 0.06 M 0.05 Q 0.02 C Shift Assignments>> C :: 179.142 CA :: 58.100 CB :: 30.076 CG :: 36.582 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 :: 8.552 HA :: 4.139 HB2 :: 2.069 HB3 :: 2.106 HG2 :: 2.346 HG3 :: 2.318 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.531 Ave N Shift Values>> N :: 120.68(3.68) G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.730 CA :: 44.214 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.188 HA2 :: 3.137 HA3 :: 4.012 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.168 Ave N Shift Values>> N :: 109.91(4.29) C106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.21 K 0.16 L 0.15 C 0.14 I 0.09 Q 0.08 W 0.05 H 0.05 E 0.02 HN Overlap>> M98 C Shift Assignments>> C :: 173.438 CA :: 57.814 CB :: 26.162 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.026 HA :: 4.253 HB2 :: 1.876 HB3 :: 1.372(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.949 Ave N Shift Values>> N :: 119.95(4.79) G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> C :: 173.461 CA :: 45.258 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.584 HA2 :: 3.706 HA3 :: 3.954 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.561 Ave N Shift Values>> N :: 109.91(4.29) E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.09 K 0.08 M 0.06 Q 0.03 C Shift Assignments>> C :: 178.118 CA :: 57.478 CB :: 29.835 CG :: 36.383 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 :: 8.503 HA :: 4.051 HB2 :: 2.014 HB3 :: 1.905 HG2 :: 2.238 HG3 :: 2.209 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 :: 119.609 Ave N Shift Values>> N :: 120.68(3.68) S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.569 CA :: 60.141 CB :: 63.935 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.082 HA :: 4.127 HB2 :: 3.797 HB3 :: 3.869 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 :: 112.186 Ave N Shift Values>> N :: 116.3(3.95) I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.46 A 0.02 C Shift Assignments>> CA :: 58.031 CB :: 39.086 CG1 :: 25.977 CG2 :: 17.441 CD1 :: 13.478 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 :: 6.570 HA :: 4.235 HB :: 1.247 HG2 :: 0.521 HG12 :: 0.845 HG13 :: 0.854 HD1 :: -0.093 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 :: 116.937 Ave N Shift Values>> N :: 121.6(4.72) P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 179.076 CA :: 61.703 CB :: 32.729 CG :: 27.003 CD :: 51.011 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 :: 4.510 HB2 :: 2.321 HB3 :: 1.732 HG2 :: 1.855 HG3 :: 1.873 HD2 :: 3.590 HD3 :: 3.480 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) G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 172.723 CA :: 46.262 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.018 HA2 :: 3.461 HA3 :: 3.714 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.592 Ave N Shift Values>> N :: 109.91(4.29) N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.26 E 0.12 Y 0.11 F 0.06 M 0.05 D 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 174.643 CA :: 54.388 CB :: 37.204 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 :: 8.381 HA :: 4.278 HB2 :: 3.067 HB3 :: 2.682 HD21 :: 6.903 HD22 :: 7.468 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 :: 116.937 ND2 :: 111.856 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.904 CA :: 59.864 CB :: 64.678 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.617 HA :: 4.517 HB2 :: 3.590 HB3 :: 3.514 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 :: 113.077 Ave N Shift Values>> N :: 116.3(3.95) V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 176.075 CA :: 62.705 CB :: 31.546 CG1 :: 22.293 CG2 :: 21.743 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 :: 8.500 HA :: 4.341 HB :: 1.931 HG1 :: 0.694 HG2 :: 1.086 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 :: 124.360 Ave N Shift Values>> N :: 121.02(4.96) L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.19 C 0.14 A 0.06 R 0.01 C Shift Assignments>> C :: 174.923 CA :: 53.123 CB :: 45.379 CG :: 26.714 CD1 :: 26.642 CD2 :: 22.762 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 :: 9.104 HA :: 5.002 HB2 :: 2.012 HB3 :: 1.977 HG :: 1.221 HD1 :: 1.221 HD2 :: 0.783 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 :: 128.814 Ave N Shift Values>> N :: 121.98(4.07) L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.29 C 0.13 A 0.09 C Shift Assignments>> C :: 176.574 CA :: 52.750 CB :: 44.693 CG :: 26.123 CD1 :: 23.132 CD2 :: 22.610 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 :: 9.009 HA :: 5.601 HB2 :: 1.616 HB3 :: 1.284 HG :: 1.467 HD1 :: 0.970 HD2 :: 0.897 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.391 Ave N Shift Values>> N :: 121.98(4.07) F118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.17 R 0.16 D 0.14 C 0.1 F 0.07 Y 0.05 N 0.01 C Shift Assignments>> C :: 176.518 CA :: 55.411 CB :: 42.385 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 :: 9.375 HA :: 6.155 HB2 :: 2.911 HB3 :: 2.868 HD1 :: 7.329 HD2 :: 7.329 HE1 :: 7.508 HE2 :: 7.508 HZ :: 7.704 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 :: 117.531 Ave N Shift Values>> N :: 120.69(4.18) E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.29 I 0.23 M 0.05 K 0.01 C Shift Assignments>> C :: 175.947 CA :: 60.489 CB :: 31.189 CG :: 36.767 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 :: 8.905 HA :: 5.604 HB2 :: 1.973 HB3 :: 1.996 HG2 :: 2.249 HG3 :: 2.285 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 :: 122.876 Ave N Shift Values>> N :: 120.68(3.68) I120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.56 C 0.41 G 0.01 C Shift Assignments>> C :: 173.341 CA :: 60.568 CB :: 41.927 CG1 :: 27.953 CG2 :: 16.638 CD1 :: 11.638 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 :: 8.912 HA :: 4.965 HB :: 1.363 HG2 :: 0.434 HG12 :: 1.368 HG13 :: 1.390 HD1 :: -0.386(S) 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 :: 123.000 Ave N Shift Values>> N :: 121.6(4.72) E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 M 0.23 E 0.08 C Shift Assignments>> C :: 175.254 CA :: 53.941 CB :: 33.897 CG :: 36.113 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 :: 9.074 HA :: 5.445 HB2 :: 1.832 HB3 :: 2.073 HG2 :: 1.833 HG3 :: 2.005 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 :: 128.221 Ave N Shift Values>> N :: 120.68(3.68) L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.35 R 0.12 K 0.06 C Shift Assignments>> C :: 174.472 CA :: 54.403 CB :: 40.796 CG :: 29.000 CD1 :: 26.159 CD2 :: 24.971 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 :: 8.112 HA :: 4.680 HB2 :: 2.314 HB3 :: 1.194 HG :: 1.401 HD1 :: 0.696 HD2 :: 0.906 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 :: 127.033 Ave N Shift Values>> N :: 121.98(4.07) L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.32 R 0.17 G 0.01 C Shift Assignments>> C :: 177.614 CA :: 57.095 CB :: 42.226 CG :: 27.502 CD1 :: 25.824 CD2 :: 22.898 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 :: 8.704 HA :: 4.385 HB2 :: 1.432 HB3 :: 1.455 HG :: 1.691 HD1 :: 0.774 HD2 :: 0.706 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 :: 128.814 Ave N Shift Values>> N :: 121.98(4.07) S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.375 CA :: 57.545 CB :: 63.359 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.602 HA :: 4.161 HB2 :: 3.790 HB3 :: 3.748 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 :: 105.653 Ave N Shift Values>> N :: 116.3(3.95) F125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.2 R 0.17 C 0.1 F 0.09 D 0.09 Y 0.07 C Shift Assignments>> C :: 173.154 CA :: 56.463 CB :: 42.301 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.818 HA :: 5.451 HB2 :: 3.166 HB3 :: 2.997 HD1 :: 6.707 HD2 :: 6.707 HE1 :: 7.111 HE2 :: 7.111 HZ :: 7.261 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.373 Ave N Shift Values>> N :: 120.69(4.18) R126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.33 K 0.15 G 0.09 C Shift Assignments>> C :: 174.013 CA :: 54.654 CB :: 33.064 CG :: 26.664 CD :: 43.326 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 :: 8.934 HA :: 4.693 HB2 :: 1.648 HB3 :: 1.756 HG2 :: 1.200 HG3 :: 1.273 HD2 :: 2.993 HD3 :: 2.966 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 :: 116.046 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.14 K 0.06 Q 0.04 I 0.02 C Shift Assignments>> C :: 176.050 CA :: 55.552 CB :: 30.600 CG :: 36.271 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 :: 8.665 HA :: 4.436 HB2 :: 1.916 HB3 :: 1.952 HG2 :: 2.226 HG3 :: 2.231 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 :: 123.173 Ave N Shift Values>> N :: 120.68(3.68) L128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H130 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H131 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 131 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 126 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 135 #Suspicious: 0 C Shift Results: #Consistent: 514 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 753 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 129 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: E39 HG3 = 1.581(S), Expected = 2.31, Std = 0.2100, ChiSquare = 5.1770e-04 L48 HD2 = 1.909(S), Expected = 0.76, Std = 0.2800, ChiSquare = 4.0682e-05 C106 HB3 = 1.372(S), Expected = 2.98, Std = 0.4500, ChiSquare = 3.5247e-04 I120 HD1 = -0.386(S), Expected = 0.70, Std = 0.3000, ChiSquare = 2.9460e-04