M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.82 L 0.1 R 0.04 C Shift Assignments>> C :: 173.927 CA :: 45.229 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.977 HA3 :: 3.977 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> K104 C Shift Assignments>> C :: 174.642 CA :: 58.255 CB :: 64.016 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.257 HA :: 4.538 HB2 :: 3.907 HB3 :: 3.847 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 :: 115.638 Ave N Shift Values>> N :: 116.3(3.95) T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.426 CA :: 61.621 CB :: 69.798 CG2 :: 21.691 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 :: 8.202 HA :: 4.356 HB :: 4.167 HG2 :: 1.168 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 :: 116.116 Ave N Shift Values>> N :: 115.7(5.05) K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.39 M 0.02 G 0.01 C Shift Assignments>> C :: 177.060 CA :: 56.793 CB :: 34.104 CG :: 25.477 CD :: 29.460 CE :: 42.238 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 :: 8.226 HA :: 4.424 HB2 :: 1.715 HB3 :: 1.715 HG2 :: 1.489 HG3 :: 1.539 HD2 :: 1.564 HD3 :: 1.564 HE2 :: 2.920 HE3 :: 2.920 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 :: 124.258 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.343 CA :: 60.880 CB :: 70.847 CG2 :: 21.968 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 :: 8.742 HA :: 4.663 HB :: 4.228 HG2 :: 1.361 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 :: 114.470 Ave N Shift Values>> N :: 115.7(5.05) N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 E 0.21 N 0.16 F 0.15 D 0.06 M 0.05 I 0.04 K 0.01 L 0.01 C Shift Assignments>> C :: 177.438 CA :: 55.895 CB :: 37.547 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 :: 9.221 HA :: 4.354 HB2 :: 2.596 HB3 :: 2.917 HD21 :: 8.098 HD22 :: 7.791 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 :: 119.442 ND2 :: 114.606 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.770 CA :: 62.224 CB :: 62.377 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.447 HA :: 4.060 HB2 :: 3.880 HB3 :: 3.880 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 :: 113.662 Ave N Shift Values>> N :: 116.3(3.95) E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.42 M 0.04 K 0.03 C Shift Assignments>> C :: 179.243 CA :: 59.291 CB :: 30.138 CG :: 37.452 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 :: 7.656 HA :: 4.052 HB2 :: 1.935 HB3 :: 2.291 HG2 :: 2.289 HG3 :: 2.289 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 :: 122.768 Ave N Shift Values>> N :: 120.68(3.68) I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> L99 C Shift Assignments>> C :: 177.542 CA :: 64.729 CB :: 37.231 CG1 :: 29.216 CG2 :: 16.721 CD1 :: 13.936 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 :: 7.873 HA :: 3.486 HB :: 2.006 HG2 :: 0.634 HG12 :: 1.160 HG13 :: 1.670 HD1 :: 0.857 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.743 Ave N Shift Values>> N :: 121.6(4.72) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.08 C Shift Assignments>> C :: 179.197 CA :: 58.635 CB :: 41.381 CG :: 27.352 CD1 :: 24.964 CD2 :: 23.241 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 :: 8.264 HA :: 3.757 HB2 :: 1.530 HB3 :: 1.530 HG :: 1.720 HD1 :: 0.825 HD2 :: 0.689 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 :: 119.869 Ave N Shift Values>> N :: 121.98(4.07) E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.26 K 0.14 Q 0.07 M 0.03 C Shift Assignments>> C :: 178.996 CA :: 59.489 CB :: 29.333 CG :: 35.934 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 :: 7.829 HA :: 4.152 HB2 :: 2.080 HB3 :: 2.129 HG2 :: 2.285 HG3 :: 2.326 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 :: 118.150 Ave N Shift Values>> N :: 120.68(3.68) Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 Q 0.28 E 0.23 I 0.09 R 0.05 M 0.01 C Shift Assignments>> C :: 179.589 CA :: 59.144 CB :: 28.378 CG :: 34.499 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 :: 7.828 HA :: 3.979 HB2 :: 1.976 HB3 :: 2.083 HG2 :: 2.402 HG3 :: 2.501 HE21 :: 7.453 HE22 :: 6.750 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 :: 118.408 NE2 :: 111.835 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.39 A 0.11 R 0.02 V 0.01 C Shift Assignments>> C :: 179.425 CA :: 57.887 CB :: 42.220 CG :: 22.719 CD1 :: 25.403 CD2 :: 22.764 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 :: 8.377 HA :: 3.723 HB2 :: 1.881 HB3 :: 1.665 HG :: 0.945 HD1 :: 0.546 HD2 :: 0.496 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 :: 119.327 Ave N Shift Values>> N :: 121.98(4.07) K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.29 M 0.02 G 0.02 C Shift Assignments>> C :: 178.080 CA :: 59.869 CB :: 32.464 CG :: 25.265 CD :: 29.266 CE :: 42.209 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 :: 8.573 HA :: 3.750 HB2 :: 1.866 HB3 :: 1.984 HG2 :: 1.451 HG3 :: 1.514 HD2 :: 1.697 HD3 :: 1.697 HE2 :: 2.944 HE3 :: 2.944 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 :: 122.544 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.32 E 0.16 R 0.09 I 0.05 M 0.02 C Shift Assignments>> C :: 178.638 CA :: 58.937 CB :: 28.337 CG :: 33.995 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 :: 8.266 HA :: 4.064 HB2 :: 2.098 HB3 :: 2.098 HG2 :: 2.393 HG3 :: 2.584 HE21 :: 7.561 HE22 :: 6.732 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.535 NE2 :: 111.435 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.29 L 0.01 C Shift Assignments>> C :: 177.340 CA :: 53.410 CB :: 19.330 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.795 HA :: 4.186 HB :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.771 Ave N Shift Values>> N :: 123.23(3.7) S24 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 :: 174.666 CA :: 58.721 CB :: 65.144 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.526 HA :: 4.282 HB2 :: 3.447 HB3 :: 3.909 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 :: 108.716 Ave N Shift Values>> N :: 116.3(3.95) D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.2 F 0.15 D 0.14 Y 0.12 R 0.08 I 0.01 N 0.01 C Shift Assignments>> C :: 177.337 CA :: 56.590 CB :: 41.478 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 :: 7.554 HA :: 4.547 HB2 :: 2.630 HB3 :: 2.915 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 :: 126.064 Ave N Shift Values>> N :: 120.73(4.2) G26 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 :: 173.769 CA :: 45.882 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.848 HA2 :: 3.747 HA3 :: 4.149 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.237 Ave N Shift Values>> N :: 109.91(4.29) L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 G 0.09 R 0.08 A 0.05 C Shift Assignments>> C :: 176.508 CA :: 54.535 CB :: 43.096 CG :: 26.812 CD1 :: 25.138 CD2 :: 23.020 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 :: 7.546 HA :: 4.529 HB2 :: 1.325 HB3 :: 1.728 HG :: 1.284 HD1 :: 0.277 HD2 :: 0.405 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 :: 119.878 Ave N Shift Values>> N :: 121.98(4.07) L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 G 0.3 R 0.04 A 0.03 C Shift Assignments>> C :: 175.466 CA :: 53.156 CB :: 44.119 CG :: 26.858 CD1 :: 25.493 CD2 :: 23.460 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 :: 8.699 HA :: 4.747 HB2 :: 1.725 HB3 :: 1.525 HG :: 0.997 HD1 :: 0.810 HD2 :: 0.660 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 :: 122.217 Ave N Shift Values>> N :: 121.98(4.07) F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 F 0.34 C Shift Assignments>> C :: 176.223 CA :: 59.164 CB :: 40.308 CD1 :: 133.812 CD2 :: 133.812 CE1 :: 131.061 CE2 :: 131.061 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 :: 9.474 HA :: 4.580 HB2 :: 2.944 HB3 :: 2.973 HD1 :: 7.197 HD2 :: 7.197 HE1 :: 6.753 HE2 :: 6.753 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 :: 124.972 Ave N Shift Values>> N :: 120.69(4.18) M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.26 C Shift Assignments>> C :: 174.266 CA :: 55.314 CB :: 32.618 CG :: 31.986 CE :: 17.131 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 :: 8.388 HA :: 4.706 HB2 :: 1.846 HB3 :: 1.954 HG2 :: 2.530 HG3 :: 2.530 HE :: 2.042 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 :: 130.473 Ave N Shift Values>> N :: 120.1(3.88) S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.031 CA :: 57.715 CB :: 62.932 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.827 HA :: 4.427 HB2 :: 4.015 HB3 :: 4.119 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 :: 123.699 Ave N Shift Values>> N :: 116.3(3.95) E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.36 K 0.08 M 0.02 Q 0.01 C Shift Assignments>> C :: 176.820 CA :: 58.724 CB :: 29.103 CG :: 36.980 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 :: 8.445 HA :: 4.460 HB2 :: 1.798 HB3 :: 2.197 HG2 :: 2.389 HG3 :: 2.416 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 :: 124.147 Ave N Shift Values>> N :: 120.68(3.68) S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> F75 C Shift Assignments>> C :: 172.423 CA :: 56.151 CB :: 65.562 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.834 HA :: 4.577 HB2 :: 3.708 HB3 :: 3.708 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 :: 112.710 Ave N Shift Values>> N :: 116.3(3.95) E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 E 0.44 Q 0.03 I 0.01 K 0.01 C Shift Assignments>> C :: 177.851 CA :: 55.278 CB :: 32.575 CG :: 36.277 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 :: 8.104 HA :: 5.169 HB2 :: 1.780 HB3 :: 1.780 HG2 :: 2.073 HG3 :: 2.073 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 :: 119.367 Ave N Shift Values>> N :: 120.68(3.68) Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.87 G 0.12 C Shift Assignments>> CA :: 56.228 CB :: 42.721 CD1 :: 133.812 CD2 :: 133.812 CE1 :: 118.288 CE2 :: 118.288 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.005 HA :: 4.968 HB2 :: 3.142 HB3 :: 2.932 HD1 :: 7.220 HD2 :: 7.220 HE1 :: 6.691 HE2 :: 6.691 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 :: 121.024 Ave N Shift Values>> N :: 120.79(4.69) P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.045 CA :: 61.961 CB :: 33.554 CG :: 26.469 CD :: 50.050 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 :: 5.244 HB2 :: 2.306 HB3 :: 2.306 HG2 :: 1.903 HG3 :: 2.136 HD2 :: 3.708 HD3 :: 3.708 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) F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 F 0.29 G 0.02 C Shift Assignments>> C :: 176.844 CA :: 57.251 CB :: 42.162 CD1 :: 133.614 CD2 :: 133.614 CE1 :: 130.145 CE2 :: 130.145 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 :: 9.386 HA :: 5.871 HB2 :: 2.980 HB3 :: 2.943 HD1 :: 7.663 HD2 :: 7.663 HE1 :: 7.147 HE2 :: 7.147 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 :: 118.700 Ave N Shift Values>> N :: 120.69(4.18) E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 E 0.44 Q 0.02 I 0.01 C Shift Assignments>> C :: 175.479 CA :: 54.785 CB :: 32.581 CG :: 36.519 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 :: 9.209 HA :: 4.896 HB2 :: 1.999 HB3 :: 2.186 HG2 :: 2.329 HG3 :: 2.329 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 :: 121.522 Ave N Shift Values>> N :: 120.68(3.68) V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.299 CA :: 61.114 CB :: 33.243 CG1 :: 20.613 CG2 :: 22.377 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 :: 8.672 HA :: 4.920 HB :: 1.970 HG1 :: 0.828 HG2 :: 0.911 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.928 Ave N Shift Values>> N :: 121.02(4.96) F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 F 0.45 G 0.06 HN Overlap>> V122 C Shift Assignments>> C :: 170.957 CA :: 56.368 CB :: 42.839 CD1 :: 131.630 CD2 :: 131.630 CE1 :: 128.917 CE2 :: 128.917 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 :: 8.192 HA :: 5.082 HB2 :: 2.920 HB3 :: 2.920 HD1 :: 6.062 HD2 :: 6.062 HE1 :: 5.949 HE2 :: 5.949 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 :: 121.894 Ave N Shift Values>> N :: 120.69(4.18) L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.33 R 0.02 A 0.01 C Shift Assignments>> C :: 175.304 CA :: 54.798 CB :: 46.076 CG :: 28.143 CD1 :: 25.960 CD2 :: 23.942 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 :: 8.151 HA :: 4.431 HB2 :: 1.550 HB3 :: 1.788 HG :: 1.772 HD1 :: 0.884 HD2 :: 0.811 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 :: 119.612 Ave N Shift Values>> N :: 121.98(4.07) W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.609 CA :: 52.910 CB :: 27.786 CD1 :: 123.628 CE3 :: 117.508 CZ2 :: 114.837 CZ3 :: 122.814 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.897 HA :: 5.504 HB2 :: 2.979 HB3 :: 3.375 HD1 :: 7.159 HE1 :: 9.820 HZ2 :: 6.164 HZ3 :: 6.153 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 :: 128.685 NE1 :: 129.586 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.29 K 0.06 M 0.05 Q 0.01 C Shift Assignments>> C :: 177.151 CA :: 58.656 CB :: 29.868 CG :: 36.971 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 :: 9.098 HA :: 4.068 HB2 :: 2.047 HB3 :: 2.047 HG2 :: 2.241 HG3 :: 2.346 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 :: 127.130 Ave N Shift Values>> N :: 120.68(3.68) G44 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 :: 173.914 CA :: 45.565 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.915 HA2 :: 4.001 HA3 :: 4.001 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.666 Ave N Shift Values>> N :: 109.91(4.29) S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 171.945 CA :: 58.019 CB :: 65.902 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.483 HA :: 4.671 HB2 :: 3.938 HB3 :: 3.858 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 :: 114.558 Ave N Shift Values>> N :: 116.3(3.95) A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 L 0.03 C Shift Assignments>> CA :: 50.161 CB :: 20.727 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.304 HA :: 5.128 HB :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.847 Ave N Shift Values>> N :: 123.23(3.7) P47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 A 0.08 C Shift Assignments>> C :: 175.595 CA :: 61.499 CB :: 34.797 CG :: 24.632 CD :: 50.797 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 :: 4.555 HB2 :: 2.063 HB3 :: 2.440 HG2 :: 1.841 HG3 :: 1.936 HD2 :: 3.482 HD3 :: 3.648 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) V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.709 CA :: 64.812 CB :: 31.362 CG1 :: 22.243 CG2 :: 23.665 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 :: 8.925 HA :: 3.668 HB :: 2.121 HG1 :: 0.734 HG2 :: 1.029 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 :: 120.956 Ave N Shift Values>> N :: 121.02(4.96) T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 A 0.09 C Shift Assignments>> CA :: 58.720 CB :: 72.412 CG2 :: 20.330 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 :: 6.674 HA :: 4.779 HB :: 4.616 HG2 :: 1.170 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 :: 116.415 Ave N Shift Values>> N :: 115.7(5.05) H51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.35 K 0.33 R 0.28 Q 0.01 C Shift Assignments>> C :: 176.116 CA :: 58.503 CB :: 30.450 CG :: 30.450(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>> HA :: 3.794 HB2 :: 2.625 HB3 :: 2.625 HG2 :: 2.742 HG3 :: 2.742 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) I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 M 0.01 C Shift Assignments>> C :: 177.005 CA :: 60.500 CB :: 38.313 CG1 :: 29.244 CG2 :: 17.219 CD1 :: 13.667 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 :: 8.356 HA :: 3.659 HB :: 1.808 HG2 :: 0.901 HG12 :: 1.233 HG13 :: 1.257 HD1 :: 0.995 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 :: 116.815 Ave N Shift Values>> N :: 121.6(4.72) V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.122 CA :: 66.761 CB :: 31.255 CG1 :: 21.604 CG2 :: 22.624 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 :: 7.390 HA :: 3.043 HB :: 1.721 HG1 :: 0.431 HG2 :: 0.427 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.512 Ave N Shift Values>> N :: 121.02(4.96) L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 C Shift Assignments>> C :: 178.706 CA :: 58.743 CB :: 40.125 CG :: 26.454 CD1 :: 22.527 CD2 :: 24.994 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 :: 8.190 HA :: 3.610 HB2 :: 1.588 HB3 :: 1.350 HG :: 1.514 HD1 :: 0.594 HD2 :: 0.557 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 :: 120.065 Ave N Shift Values>> N :: 121.98(4.07) Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.33 E 0.13 R 0.11 M 0.04 I 0.03 HN Overlap>> H60 C Shift Assignments>> C :: 179.010 CA :: 58.724 CB :: 28.636 CG :: 33.603 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 :: 7.653 HA :: 3.854 HB2 :: 1.922 HB3 :: 2.000 HG2 :: 2.172 HG3 :: 2.307 HE21 :: 7.272 HE22 :: 6.585 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.664 NE2 :: 110.890 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.33 K 0.3 Q 0.29 M 0.02 E 0.02 C Shift Assignments>> C :: 177.223 CA :: 56.566 CB :: 26.927 CG :: 32.819 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 :: 7.813 HA :: 5.610 HB2 :: 0.279(S) HB3 :: 0.279(S) HG2 :: 0.971(S) HG3 :: 1.696 HE21 :: 6.524 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 :: 114.899 NE2 :: 109.577 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.935 CA :: 62.061 CB :: 70.797 CG2 :: 20.897 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 :: 7.285 HA :: 4.216 HB :: 4.163 HG2 :: 0.502 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 :: 105.547 Ave N Shift Values>> N :: 115.7(5.05) G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.637 CA :: 46.189 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.619 HA2 :: 3.751 HA3 :: 3.916 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.994 Ave N Shift Values>> N :: 109.91(4.29) H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.18 R 0.14 W 0.13 H 0.12 E 0.11 Q 0.06 V 0.03 HN Overlap>> Q56 C Shift Assignments>> C :: 174.361 CA :: 57.019 CB :: 32.013 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.589 HA :: 4.490 HB2 :: 2.666 HB3 :: 3.127 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 :: 117.703 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.14 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.619 CA :: 44.677 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.566 HA2 :: 3.911 HA3 :: 4.144 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.908 Ave N Shift Values>> N :: 109.91(4.29) Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.33 E 0.13 R 0.1 M 0.05 I 0.02 C Shift Assignments>> C :: 175.760 CA :: 57.975 CB :: 28.636 CG :: 33.670 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 :: 8.482 HA :: 3.964 HB2 :: 2.000 HB3 :: 2.052 HG2 :: 2.349 HG3 :: 2.349 HE21 :: 7.573 HE22 :: 6.750 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 :: 118.048 NE2 :: 112.214 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.26 L 0.14 F 0.08 Y 0.08 K 0.04 C Shift Assignments>> C :: 175.835 CA :: 53.487 CB :: 40.370 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 :: 8.566 HA :: 4.609 HB2 :: 2.719 HB3 :: 2.719 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 :: 115.917 Ave N Shift Values>> N :: 120.73(4.2) A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.12 C Shift Assignments>> CA :: 50.789 CB :: 18.240 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.339 HA :: 4.608 HB :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.974 Ave N Shift Values>> N :: 123.23(3.7) P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.367 CA :: 63.390 CB :: 31.883 CG :: 27.986 CD :: 50.797 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 :: 4.462 HB2 :: 2.274 HB3 :: 2.274 HG2 :: 1.971 HG3 :: 2.022 HD2 :: 3.482 HD3 :: 4.084 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) F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 Y 0.28 G 0.1 C Shift Assignments>> C :: 173.569 CA :: 56.138 CB :: 43.058 CD1 :: 131.764 CD2 :: 131.764 CE1 :: 131.000 CE2 :: 131.000 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 :: 8.062 HA :: 5.616 HB2 :: 2.771 HB3 :: 2.930 HD1 :: 6.996 HD2 :: 6.996 HE1 :: 7.065 HE2 :: 7.065 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 :: 120.131 Ave N Shift Values>> N :: 120.69(4.18) K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.39 G 0.03 M 0.01 C Shift Assignments>> C :: 173.422 CA :: 55.007 CB :: 37.230 CG :: 24.931 CD :: 29.133 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 :: 8.362 HA :: 4.392 HB2 :: 1.636 HB3 :: 1.636 HG2 :: 1.299 HG3 :: 1.299 HE2 :: 2.927 HE3 :: 2.927 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 :: 123.323 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.021 CA :: 60.808 CB :: 32.864 CG1 :: 21.270 CG2 :: 20.827 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 :: 8.241 HA :: 4.737 HB :: 1.686 HG1 :: 0.463 HG2 :: 0.579 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 :: 124.597 Ave N Shift Values>> N :: 121.02(4.96) V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 I 0.05 A 0.01 C Shift Assignments>> C :: 173.613 CA :: 59.482 CB :: 35.730 CG1 :: 20.030 CG2 :: 21.724 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 :: 9.219 HA :: 4.597 HB :: 1.990 HG1 :: 0.784 HG2 :: 0.970 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 :: 124.456 Ave N Shift Values>> N :: 121.02(4.96) D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.2 R 0.19 K 0.1 F 0.04 G 0.04 Y 0.03 N 0.03 C Shift Assignments>> C :: 177.034 CA :: 53.717 CB :: 42.839 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 :: 8.188 HA :: 4.890 HB2 :: 2.692 HB3 :: 2.920 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 :: 121.722 Ave N Shift Values>> N :: 120.73(4.2) I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> R114 C Shift Assignments>> C :: 175.691 CA :: 64.693 CB :: 38.983 CG1 :: 28.985 CG2 :: 17.110 CD1 :: 15.843 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 :: 9.085 HA :: 4.081 HB :: 1.682 HG2 :: 1.025 HG12 :: 1.368 HG13 :: 1.547 HD1 :: 0.814 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 :: 121.132 Ave N Shift Values>> N :: 121.6(4.72) D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.28 I 0.1 K 0.09 L 0.09 D 0.06 R 0.01 N 0.01 C Shift Assignments>> C :: 179.455 CA :: 58.199 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 :: 7.875 HA :: 4.465 HB2 :: 2.606 HB3 :: 2.694 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.090 Ave N Shift Values>> N :: 120.73(4.2) S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.896 CA :: 61.689 CB :: 62.297 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.480 HA :: 4.246 HB2 :: 3.977 HB3 :: 4.017 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 :: 116.543 Ave N Shift Values>> N :: 116.3(3.95) F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.39 C Shift Assignments>> C :: 176.897 CA :: 61.689 CB :: 40.036 CD1 :: 131.351 CD2 :: 131.351 CE1 :: 130.332 CE2 :: 130.332 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 :: 8.190 HA :: 4.246 HB2 :: 2.846 HB3 :: 3.029 HD1 :: 6.534 HD2 :: 6.534 HE1 :: 6.363 HE2 :: 6.363 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 :: 122.862 Ave N Shift Values>> N :: 120.69(4.18) F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 Y 0.3 HN Overlap>> S33 C Shift Assignments>> C :: 176.381 CA :: 60.192 CB :: 40.044 CD1 :: 130.393 CD2 :: 130.393 CE1 :: 130.393 CE2 :: 130.393 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 :: 7.758 HA :: 4.359 HB2 :: 3.082 HB3 :: 3.538 HD1 :: 7.297 HD2 :: 7.297 HE1 :: 7.297 HE2 :: 7.297 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 :: 112.649 Ave N Shift Values>> N :: 120.69(4.18) S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.449 CA :: 62.535 CB :: 68.178 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.482 HA :: 4.101 HB2 :: 4.005 HB3 :: 3.952 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 :: 116.512 Ave N Shift Values>> N :: 116.3(3.95) R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 G 0.14 K 0.14 L 0.05 C Shift Assignments>> C :: 174.923 CA :: 59.100 CB :: 29.333 CG :: 26.916 CD :: 43.420 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 :: 8.290 HA :: 4.108 HB2 :: 1.801 HB3 :: 1.801 HG2 :: 1.607 HG3 :: 1.556 HD2 :: 3.099 HD3 :: 3.099 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 :: 121.820 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.3 C Shift Assignments>> C :: 177.646 CA :: 53.173 CB :: 18.284 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.999 HA :: 4.005 HB :: 0.660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.202 Ave N Shift Values>> N :: 123.23(3.7) T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.014 CA :: 61.413 CB :: 69.534 CG2 :: 21.975 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 :: 7.659 HA :: 4.683 HB :: 4.464 HG2 :: 1.282 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 :: 131.316 Ave N Shift Values>> N :: 115.7(5.05) T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 59.956 CB :: 70.683 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 :: 7.252 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.623 Ave N Shift Values>> N :: 115.7(5.05) P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.966 CA :: 62.467 CB :: 32.274 CG :: 26.901 CD :: 51.097 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 :: 4.352 HB2 :: 2.275 HB3 :: 2.275 HG2 :: 1.794 HG3 :: 1.949 HD2 :: 3.904 HD3 :: 3.781 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) Q82 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.36 Q 0.26 M 0.15 R 0.15 P 0.03 E 0.02 C Shift Assignments>> C :: 177.436 CA :: 52.798 CB :: 29.007 CG :: 32.633 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 :: 5.181(M) HA :: 4.191 HB2 :: -0.467(M) HB3 :: 0.696(S) HG2 :: 1.793 HG3 :: 1.719 HE21 :: 7.184 HE22 :: 6.738 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 :: 114.457 NE2 :: 111.344 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 D 0.15 L 0.15 K 0.12 I 0.04 N 0.03 R 0.01 C Shift Assignments>> C :: 175.932 CA :: 56.817 CB :: 40.497 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 :: 8.816 HA :: 4.168 HB2 :: 2.685 HB3 :: 2.685 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 :: 121.179 Ave N Shift Values>> N :: 120.73(4.2) W84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.408 CA :: 55.660 CB :: 28.427 CD1 :: 123.988 CZ2 :: 114.889 CZ3 :: 120.922 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 :: 6.704 HA :: 4.746 HB2 :: 3.149 HB3 :: 3.615 HD1 :: 7.385 HE1 :: 10.340 HZ2 :: 7.528 HZ3 :: 7.656 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 :: 112.669 NE1 :: 131.413 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.96 H 0.03 C Shift Assignments>> C :: 176.512 CA :: 55.989 CB :: 37.309 CD1 :: 130.180 CD2 :: 130.180 CE1 :: 118.882 CE2 :: 118.882 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 :: 6.968 HA :: 4.329 HB2 :: 2.947 HB3 :: 3.150 HD1 :: 6.460 HD2 :: 6.460 HE1 :: 6.592 HE2 :: 6.592 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 :: 122.132 Ave N Shift Values>> N :: 120.79(4.69) E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.22 K 0.06 I 0.04 Q 0.02 C Shift Assignments>> C :: 176.788 CA :: 54.953 CB :: 30.660 CG :: 36.812 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 :: 8.690 HA :: 4.660 HB2 :: 2.460 HB3 :: 2.145 HG2 :: 2.563 HG3 :: 2.563 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 :: 121.948 Ave N Shift Values>> N :: 120.68(3.68) D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.27 I 0.12 K 0.1 L 0.08 D 0.05 R 0.01 C Shift Assignments>> C :: 179.012 CA :: 58.563 CB :: 40.485 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 :: 8.541 HA :: 4.376 HB2 :: 2.705 HB3 :: 2.705 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 :: 120.767 Ave N Shift Values>> N :: 120.73(4.2) E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 I 0.43 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.012 CA :: 59.957 CB :: 29.158 CG :: 36.519 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 :: 9.049 HA :: 4.078 HB2 :: 2.052 HB3 :: 1.965 HG2 :: 2.329 HG3 :: 2.329 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 :: 119.111 Ave N Shift Values>> N :: 120.68(3.68) E89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.62 E 0.31 K 0.04 C Shift Assignments>> C :: 179.956 CA :: 59.813 CB :: 28.232 CG :: 37.214 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 :: 7.803 HA :: 3.889 HB2 :: 1.706 HB3 :: 0.794(S) HG2 :: 1.951 HG3 :: 1.951 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 :: 118.772 Ave N Shift Values>> N :: 120.68(3.68) N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.18 N 0.17 E 0.14 D 0.09 I 0.05 M 0.03 L 0.02 C Shift Assignments>> C :: 178.225 CA :: 55.906 CB :: 38.005 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 :: 8.437 HA :: 4.695 HB2 :: 2.715 HB3 :: 2.715 HD21 :: 7.300 HD22 :: 6.652 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 :: 118.449 ND2 :: 111.387 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.37 I 0.03 C Shift Assignments>> C :: 180.393 CA :: 55.040 CB :: 17.849 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.267 HA :: 4.280 HB :: 1.556 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.000 Ave N Shift Values>> N :: 123.23(3.7) V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.224 CA :: 67.272 CB :: 31.895 CG1 :: 23.210 CG2 :: 22.479 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 :: 7.420 HA :: 3.682 HB :: 2.370 HG1 :: 1.179 HG2 :: 1.351 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 :: 120.564 Ave N Shift Values>> N :: 121.02(4.96) V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.533 CA :: 66.432 CB :: 31.639 CG1 :: 21.822 CG2 :: 23.626 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 :: 7.708 HA :: 4.158 HB :: 2.390 HG1 :: 0.835 HG2 :: 1.181 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 :: 120.988 Ave N Shift Values>> N :: 121.02(4.96) A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.04 C Shift Assignments>> C :: 181.072 CA :: 55.083 CB :: 17.849 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.813 HA :: 4.212 HB :: 1.556 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.042 Ave N Shift Values>> N :: 123.23(3.7) K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.42 G 0.02 M 0.01 C Shift Assignments>> C :: 180.535 CA :: 60.137 CB :: 32.969 CG :: 26.158 CD :: 29.435 CE :: 42.228 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 :: 7.903 HA :: 4.052 HB2 :: 2.113 HB3 :: 2.113 HG2 :: 1.485 HG3 :: 1.809 HD2 :: 1.628 HD3 :: 1.628 HE2 :: 2.916 HE3 :: 2.916 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 :: 119.591 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.83 F 0.16 C Shift Assignments>> C :: 178.184 CA :: 63.931 CB :: 39.382 CD1 :: 128.457 CD2 :: 128.457 CE1 :: 131.782 CE2 :: 131.782 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 :: 8.724 HA :: 4.103 HB2 :: 2.800 HB3 :: 3.329 HD1 :: 7.456 HD2 :: 7.456 HE1 :: 7.608 HE2 :: 7.608 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.541 Ave N Shift Values>> N :: 120.69(4.18) Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 E 0.14 R 0.11 I 0.1 P 0.03 M 0.01 C Shift Assignments>> C :: 179.209 CA :: 59.556 CB :: 27.551 CG :: 34.124 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 :: 8.814 HA :: 3.955 HB2 :: 2.393 HB3 :: 2.069 HG2 :: 2.514 HG3 :: 2.710 HE21 :: 7.511 HE22 :: 6.832 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.419 NE2 :: 110.342 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.43 M 0.02 G 0.01 C Shift Assignments>> C :: 177.649 CA :: 58.565 CB :: 31.350 CG :: 24.706 CD :: 28.466 CE :: 42.104 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 :: 7.994 HA :: 4.055 HB2 :: 1.915 HB3 :: 1.958 HG2 :: 1.472 HG3 :: 1.472 HD2 :: 1.703 HD3 :: 1.703 HE2 :: 2.877 HE3 :: 2.877 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 :: 120.464 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.03 A 0.01 HN Overlap>> I16 C Shift Assignments>> C :: 177.286 CA :: 58.239 CB :: 40.440 CG :: 26.949 CD1 :: 25.794 CD2 :: 22.591 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 :: 7.886 HA :: 3.750 HB2 :: 1.135 HB3 :: 1.135 HG :: 1.920 HD1 :: 0.295 HD2 :: 0.504 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 :: 120.800 Ave N Shift Values>> N :: 121.98(4.07) L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.1 C Shift Assignments>> C :: 177.913 CA :: 58.154 CB :: 41.443 CG :: 27.400 CD1 :: 25.193 CD2 :: 24.041 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 :: 7.891 HA :: 3.550 HB2 :: 1.787 HB3 :: 1.434 HG :: 1.205 HD1 :: 0.764 HD2 :: 0.619 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 :: 118.967 Ave N Shift Values>> N :: 121.98(4.07) E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.3 K 0.11 Q 0.04 M 0.03 C Shift Assignments>> C :: 179.641 CA :: 59.556 CB :: 29.423 CG :: 36.203 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 :: 7.650 HA :: 3.955 HB2 :: 2.167 HB3 :: 2.167 HG2 :: 2.364 HG3 :: 2.364 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 :: 118.484 Ave N Shift Values>> N :: 120.68(3.68) V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.216 CA :: 66.764 CB :: 31.511 CG1 :: 21.269 CG2 :: 23.150 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 :: 8.508 HA :: 3.514 HB :: 2.096 HG1 :: 0.697 HG2 :: 0.974 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 :: 122.294 Ave N Shift Values>> N :: 121.02(4.96) I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.662 CA :: 66.973 CB :: 37.927 CG1 :: 29.007 CG2 :: 17.008 CD1 :: 14.234 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 :: 8.313 HA :: 3.935 HB :: 1.874 HG2 :: 0.660 HG12 :: 1.653 HG13 :: 1.653 HD1 :: 0.614 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 :: 121.170 Ave N Shift Values>> N :: 121.6(4.72) K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.32 G 0.01 M 0.01 HN Overlap>> S9 C Shift Assignments>> C :: 178.682 CA :: 59.795 CB :: 32.881 CG :: 27.283 CD :: 30.211 CE :: 41.865 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 :: 8.244 HA :: 3.971 HB2 :: 1.813 HB3 :: 1.885 HG2 :: 1.324 HG3 :: 1.324 HD2 :: 1.765 HD3 :: 1.649 HE2 :: 2.694 HE3 :: 2.872 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.647 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.052 CA :: 60.192 CB :: 63.790 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.240 HA :: 4.359 HB2 :: 3.847 HB3 :: 3.922 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 :: 111.084 Ave N Shift Values>> N :: 116.3(3.95) N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.18 R 0.18 D 0.16 F 0.07 Y 0.05 N 0.02 G 0.01 C Shift Assignments>> C :: 173.428 CA :: 55.250 CB :: 42.368 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 :: 7.301 HA :: 4.834 HB2 :: 2.444 HB3 :: 2.444 HD21 :: 7.735 HD22 :: 7.300 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 :: 116.193 ND2 :: 115.139 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 G 0.32 A 0.05 R 0.04 C Shift Assignments>> C :: 174.965 CA :: 52.334 CB :: 43.815 CG :: 26.656 CD1 :: 23.441 CD2 :: 25.636 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 :: 8.009 HA :: 4.832 HB2 :: 1.817 HB3 :: 1.817 HG :: 1.375 HD1 :: 0.539 HD2 :: 0.761 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 :: 117.154 Ave N Shift Values>> N :: 121.98(4.07) K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.33 M 0.03 G 0.01 C Shift Assignments>> C :: 176.585 CA :: 55.586 CB :: 33.954 CG :: 25.280 CD :: 29.400 CE :: 42.088 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 :: 9.187 HA :: 4.348 HB2 :: 1.757 HB3 :: 1.757 HG2 :: 1.373 HG3 :: 1.451 HD2 :: 1.627 HD3 :: 1.627 HE2 :: 2.902 HE3 :: 2.902 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 :: 122.801 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.18 Y 0.12 F 0.09 L 0.03 E 0.03 M 0.01 C Shift Assignments>> CA :: 53.750 CB :: 38.450 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 :: 9.229 HA :: 4.505 HB2 :: 2.830 HB3 :: 3.059 HD21 :: 7.776 HD22 :: 6.891 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 :: 118.732 ND2 :: 113.612 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.400 CA :: 62.758 CB :: 31.496 CG :: 28.070 CD :: 50.285 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 :: 5.229 HB2 :: 1.790 HB3 :: 1.790 HG2 :: 1.475 HG3 :: 1.475 HD2 :: 3.657 HD3 :: 3.751 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) Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.79 Q 0.11 E 0.08 C Shift Assignments>> C :: 172.881 CA :: 54.905 CB :: 33.994 CG :: 33.996 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 :: 8.782 HA :: 4.660 HB2 :: 1.871 HB3 :: 1.963 HG2 :: 2.412 HG3 :: 2.412 HE21 :: 7.262 HE22 :: 6.796 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.771 NE2 :: 110.670 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.671 CA :: 61.577 CB :: 31.707 CG1 :: 20.528 CG2 :: 21.690 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 :: 7.915 HA :: 4.854 HB :: 1.877 HG1 :: -0.217(S) HG2 :: 0.636 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.163 Ave N Shift Values>> N :: 121.02(4.96) Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.742 CA :: 57.306 CB :: 40.590 CD1 :: 129.476 CD2 :: 129.476 CE1 :: 118.227 CE2 :: 118.227 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 :: 9.397 HA :: 4.808 HB2 :: 2.534 HB3 :: 3.033 HD1 :: 6.927 HD2 :: 6.927 HE1 :: 6.557 HE2 :: 6.557 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 :: 126.764 Ave N Shift Values>> N :: 120.79(4.69) R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 G 0.46 K 0.05 HN Overlap>> I71 C Shift Assignments>> C :: 175.247 CA :: 54.296 CB :: 32.625 CG :: 26.688 CD :: 44.233 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 :: 8.986 HA :: 4.876 HB2 :: 1.657 HB3 :: 1.657 HG2 :: 1.291 HG3 :: 1.291 HD2 :: 2.845 HD3 :: 3.135 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 :: 121.168 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.31 R 0.27 C Shift Assignments>> C :: 175.977 CA :: 54.294 CB :: 44.198 CG :: 28.397 CD1 :: 26.154 CD2 :: 25.135 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 :: 9.318 HA :: 5.258 HB2 :: 1.645 HB3 :: 1.645 HG :: 1.641 HD1 :: 0.716 HD2 :: 1.001 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 :: 127.277 Ave N Shift Values>> N :: 121.98(4.07) G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.3 G 0.15 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.299 CA :: 43.695 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.615 HA2 :: 4.904 HA3 :: 3.788 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.801 Ave N Shift Values>> N :: 109.91(4.29) E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 M 0.45 Q 0.02 I 0.02 C Shift Assignments>> C :: 175.529 CA :: 56.594 CB :: 32.935 CG :: 36.319 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 :: 8.036 HA :: 4.359 HB2 :: 2.004 HB3 :: 1.885 HG2 :: 2.211 HG3 :: 2.165 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 :: 117.941 Ave N Shift Values>> N :: 120.68(3.68) V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.665 CA :: 68.538 CB :: 30.726 CG1 :: 21.583 CG2 :: 21.583 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 :: 3.622 HB :: 2.612 HG1 :: 0.979 HG2 :: 0.944 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 :: 121.029 Ave N Shift Values>> N :: 121.02(4.96) E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 K 0.12 M 0.11 I 0.07 Q 0.04 C Shift Assignments>> C :: 175.097 CA :: 55.601 CB :: 29.832 CG :: 36.712 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 :: 8.291 HA :: 4.691 HB2 :: 2.091 HB3 :: 1.978 HG2 :: 2.196 HG3 :: 2.063 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 :: 121.558 Ave N Shift Values>> N :: 120.68(3.68) L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 G 0.19 R 0.16 C Shift Assignments>> C :: 176.730 CA :: 54.498 CB :: 43.722 CG :: 27.367 CD1 :: 25.720 CD2 :: 25.734 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 :: 9.149 HA :: 4.892 HB2 :: 1.514 HB3 :: 1.297 HG :: 1.464 HD1 :: 0.454 HD2 :: 0.612 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.908 Ave N Shift Values>> N :: 121.98(4.07) D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.24 G 0.23 D 0.08 F 0.02 K 0.02 Y 0.02 C Shift Assignments>> C :: 175.471 CA :: 54.271 CB :: 44.040 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 :: 8.488 HA :: 4.900 HB2 :: 2.530 HB3 :: 2.764 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 :: 121.703 Ave N Shift Values>> N :: 120.73(4.2) V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> F40 C Shift Assignments>> C :: 173.460 CA :: 60.735 CB :: 33.737 CG1 :: 21.742 CG2 :: 21.766 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 :: 8.194 HA :: 4.831 HB :: 1.300 HG1 :: 0.147 HG2 :: 0.580 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 :: 121.932 Ave N Shift Values>> N :: 121.02(4.96) Y123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.324 CA :: 57.169 CB :: 41.305 CD1 :: 132.836 CD2 :: 132.836 CE1 :: 117.975 CE2 :: 117.975 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.988 HA :: 4.673 HB2 :: 2.637 HB3 :: 2.783 HD1 :: 6.668 HD2 :: 6.668 HE1 :: 6.520 HE2 :: 6.520 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 :: 124.354 Ave N Shift Values>> N :: 120.79(4.69) V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.460 CA :: 61.652 CB :: 31.096 CG1 :: 20.109 CG2 :: 21.181 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 :: 9.584 HA :: 4.685 HB :: 2.404 HG1 :: 0.845 HG2 :: 0.839 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 :: 126.993 Ave N Shift Values>> N :: 121.02(4.96) I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 G 0.12 A 0.01 C Shift Assignments>> C :: 175.874 CA :: 60.053 CB :: 42.321 CG1 :: 27.690 CG2 :: 19.043 CD1 :: 16.299 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 :: 8.849 HA :: 4.838 HB :: 1.678 HG2 :: 0.871 HG12 :: 0.872 HG13 :: 0.872 HD1 :: 0.656 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 :: 123.470 Ave N Shift Values>> N :: 121.6(4.72) G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.19 R 0.13 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 169.622 CA :: 44.713 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.004 HA2 :: 3.389 HA3 :: 4.685 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.513 Ave N Shift Values>> N :: 109.91(4.29) E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 E 0.32 Q 0.1 K 0.03 C Shift Assignments>> C :: 177.851 CA :: 54.217 CB :: 31.964 CG :: 35.491 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 :: 8.592 HA :: 5.279 HB2 :: 1.865 HB3 :: 1.976 HG2 :: 2.163 HG3 :: 2.305 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.715 Ave N Shift Values>> N :: 120.68(3.68) T128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 S 0.03 C Shift Assignments>> CA :: 59.759 CB :: 68.142 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 :: 9.571 HA :: 4.795 HB :: 4.834 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 :: 117.744 Ave N Shift Values>> N :: 115.7(5.05) P129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.451 CA :: 66.142 CB :: 31.775 CG :: 28.330 CD :: 50.964 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 :: 4.288 HB2 :: 2.233 HB3 :: 2.448 HG2 :: 1.968 HG3 :: 2.093 HD2 :: 4.072 HD3 :: 4.041 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) A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 C Shift Assignments>> C :: 177.602 CA :: 52.857 CB :: 18.823 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.307 HA :: 4.252 HB :: 1.455 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.143 Ave N Shift Values>> N :: 123.23(3.7) G131 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 :: 173.878 CA :: 45.018 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.387 HA2 :: 4.314 HA3 :: 3.915 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.106 Ave N Shift Values>> N :: 109.91(4.29) N132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.22 G 0.19 R 0.14 N 0.04 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 172.827 CA :: 51.695 CB :: 43.137 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 :: 7.275 HA :: 5.650 HB2 :: 2.093 HB3 :: 3.053 HD21 :: 7.976 HD22 :: 6.982 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 :: 114.382 ND2 :: 109.047 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 R 0.16 G 0.12 A 0.06 C Shift Assignments>> C :: 174.383 CA :: 53.688 CB :: 43.170 CG :: 27.036 CD1 :: 23.198 CD2 :: 26.200 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 :: 7.769 HA :: 5.283 HB2 :: 2.192 HB3 :: 1.540 HG :: 1.180 HD1 :: 0.712 HD2 :: 1.011 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 :: 118.301 Ave N Shift Values>> N :: 121.98(4.07) A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 A 0.18 P 0.09 K 0.08 M 0.08 R 0.01 C Shift Assignments>> C :: 173.452 CA :: 50.245 CB :: 23.507 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.596 HA :: 4.132 HB :: 1.009 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.224 Ave N Shift Values>> N :: 123.23(3.7) G135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 171.922 CA :: 45.491 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.783 HA2 :: 2.909 HA3 :: 4.903 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 130.903(S) Ave N Shift Values>> N :: 109.91(4.29) I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 A 0.19 G 0.16 C Shift Assignments>> C :: 173.888 CA :: 57.993 CB :: 42.566 CG1 :: 25.485 CG2 :: 18.368 CD1 :: 15.030 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 :: 7.831 HA :: 5.687 HB :: 1.901 HG2 :: 0.746 HG12 :: 0.901 HG13 :: 0.898 HD1 :: 0.361 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 :: 110.167 Ave N Shift Values>> N :: 121.6(4.72) S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 S 0.2 C Shift Assignments>> C :: 173.299 CA :: 55.703 CB :: 68.065 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.000 HA :: 5.727 HB2 :: 3.474 HB3 :: 3.593 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 :: 118.731 Ave N Shift Values>> N :: 116.3(3.95) T138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.6 T 0.27 A 0.12 C Shift Assignments>> C :: 172.664 CA :: 60.065 CB :: 68.562 CG2 :: 16.503(S) 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 :: 8.803 HA :: 4.662 HB :: 3.793 HG2 :: 0.503 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 :: 114.780 Ave N Shift Values>> N :: 115.7(5.05) K139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.58 R 0.36 M 0.02 G 0.02 C Shift Assignments>> C :: 174.206 CA :: 54.617 CB :: 35.423 CG :: 25.138 CD :: 29.275 CE :: 42.196 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 :: 8.538 HA :: 5.176 HB2 :: 1.153 HB3 :: 1.153 HG2 :: 0.277(S) HG3 :: 0.277(S) HD2 :: 0.960 HD3 :: 0.960 HE2 :: 2.729 HE3 :: 2.703 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 :: 123.088 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 L 0.06 I 0.06 C Shift Assignments>> C :: 173.465 CA :: 60.426 CB :: 37.274 CG1 :: 23.116 CG2 :: 22.372 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 :: 8.329 HA :: 4.244 HB :: 1.799 HG1 :: 1.000 HG2 :: 0.909 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 :: 117.995 Ave N Shift Values>> N :: 121.02(4.96) V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.092 CA :: 61.649 CB :: 34.109 CG1 :: 21.211 CG2 :: 21.975 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 :: 8.759 HA :: 5.003 HB :: 1.799 HG1 :: 0.920 HG2 :: 1.023 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 :: 125.628 Ave N Shift Values>> N :: 121.02(4.96) E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 E 0.46 Q 0.03 I 0.01 K 0.01 C Shift Assignments>> C :: 174.417 CA :: 55.430 CB :: 32.538 CG :: 36.340 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 :: 8.828 HA :: 4.628 HB2 :: 1.861 HB3 :: 2.040 HG2 :: 2.219 HG3 :: 2.159 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 :: 127.438 Ave N Shift Values>> N :: 120.68(3.68) T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 63.640 CB :: 70.587 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 :: 8.203 HA :: 4.706 HB :: 4.217 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.316 Ave N Shift Values>> N :: 115.7(5.05) ########################################################################### Overall Results: #Consistent: 135 #Clerical: 0 #Suspicious: 7 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 134 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 143 #Suspicious: 0 C Shift Results: #Consistent: 587 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 768 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 2 N Shift Results: #Consistent: 140 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: E52 CG = 30.450(S), Expected = 36.01, Std = 1.5100, ChiSquare = 2.3130e-04 Q57 HB2 = 0.279(S), Expected = 2.05, Std = 0.2800, ChiSquare = 2.5323e-10 Q57 HB3 = 0.279(S), Expected = 2.04, Std = 0.2900, ChiSquare = 1.2600e-09 Q57 HG2 = 0.971(S), Expected = 2.32, Std = 0.2900, ChiSquare = 3.2917e-06 Q82 H = 5.181(M), Expected = 8.22, Std = 0.6200, ChiSquare = 9.5053e-07 Q82 HB2 = -0.467(M), Expected = 2.05, Std = 0.2800, ChiSquare = 2.4884e-19 Q82 HB3 = 0.696(S), Expected = 2.04, Std = 0.2900, ChiSquare = 3.5783e-06 E89 HB3 = 0.794(S), Expected = 2.04, Std = 0.2300, ChiSquare = 6.0475e-08 V112 HG1 = -0.217(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.0474e-05 G135 N = 130.903(S), Expected = 109.91, Std = 4.2900, ChiSquare = 9.9072e-07 T138 CG2 = 16.503(S), Expected = 21.44, Std = 1.3900, ChiSquare = 3.8261e-04 K139 HG2 = 0.277(S), Expected = 1.38, Std = 0.2700, ChiSquare = 4.4042e-05 K139 HG3 = 0.277(S), Expected = 1.37, Std = 0.2900, ChiSquare = 1.6393e-04