Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> CA :: 45.188 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.990 HA3 :: 3.922 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.073 CB :: 63.683 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.495 HB2 :: 3.828 HB3 :: 3.828 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) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.14 H 0.14 C 0.13 W 0.12 E 0.12 Q 0.1 M 0.1 K 0.08 V 0.01 I 0.01 C Shift Assignments>> CA :: 56.302 CB :: 30.788 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>> HA :: 4.645 HB2 :: 3.092 HB3 :: 3.084 HD2 :: 7.110 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) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.36 A 0.16 C Shift Assignments>> CA :: 55.082 CB :: 33.031 CG :: 31.737 CE :: 16.863 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 :: 8.360 HA :: 4.414 HB2 :: 2.008 HB3 :: 1.919 HG2 :: 2.478 HG3 :: 2.419 HE1 :: 2.081 HE2 :: 2.081 HE3 :: 2.081 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.500 Ave N Shift Values>> N :: 120.1(3.88) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 C Shift Assignments>> C :: 177.290 CA :: 52.257 CB :: 19.116 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.402 HA :: 4.329 HB1 :: 1.297 HB2 :: 1.297 HB3 :: 1.297 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.695 Ave N Shift Values>> N :: 123.23(3.7) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.012 CB :: 64.010 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.654 HA :: 4.528 HB2 :: 4.053 HB3 :: 3.940 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 :: 116.508 Ave N Shift Values>> N :: 116.3(3.95) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.018 CB :: 64.057 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.513 HB2 :: 4.076 HB3 :: 3.937 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) 1.E8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.41 C 0.38 R 0.15 M 0.03 C Shift Assignments>> C :: 179.099 CA :: 56.242 CB :: 32.984 CG :: 24.891 CD :: 29.318 CE :: 41.806 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>> HA :: 4.271 HB2 :: 1.812 HB3 :: 1.731 HG2 :: 1.354 HG3 :: 1.341 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 2.953 HE3 :: 2.953 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) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.27 R 0.06 A 0.02 G 0.01 C Shift Assignments>> C :: 176.590 CA :: 55.057 CB :: 42.169 CG :: 26.961 CD1 :: 24.968 CD2 :: 23.416 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 :: 8.322 HA :: 4.332 HB2 :: 1.625 HB3 :: 1.513 HG :: 1.634 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.563 Ave N Shift Values>> N :: 121.98(4.07) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.268 CA :: 58.018 CB :: 63.263 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.136 HA :: 4.471 HB2 :: 4.034 HB3 :: 3.942 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 :: 116.180 Ave N Shift Values>> N :: 116.3(3.95) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 C 0.19 Y 0.17 F 0.14 E 0.03 HN Overlap>> 1.V86 1.V86 C Shift Assignments>> C :: 176.849 CA :: 61.414 CB :: 37.980 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 :: 8.632 HA :: 3.564 HB2 :: 2.686 HB3 :: 1.928 HD1 :: 6.041 HD2 :: 6.041 HE1 :: 6.767 HE2 :: 6.767 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 :: 124.055 Ave N Shift Values>> N :: 120.69(4.18) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.14 K 0.12 Q 0.06 M 0.01 C Shift Assignments>> C :: 178.582 CA :: 58.585 CB :: 28.761 CG :: 35.937 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 :: 8.095 HA :: 3.698 HB2 :: 2.028 HB3 :: 1.994 HG2 :: 2.343 HG3 :: 2.372 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 :: 117.930 Ave N Shift Values>> N :: 120.68(3.68) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 178.886 CA :: 55.287 CB :: 17.934 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.502 HA :: 4.167 HB1 :: 1.402 HB2 :: 1.402 HB3 :: 1.402 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.703 Ave N Shift Values>> N :: 123.23(3.7) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.305 CA :: 67.619 CB :: 30.700 CG1 :: 24.165 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 :: 8.105 HA :: 3.375 HB :: 2.203 HG11 :: 0.932 HG12 :: 0.932 HG13 :: 0.932 HG21 :: 0.905 HG22 :: 0.905 HG23 :: 0.905 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 :: 119.625 Ave N Shift Values>> N :: 121.02(4.96) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.36 G 0.12 K 0.06 L 0.02 C Shift Assignments>> C :: 178.187 CA :: 59.882 CB :: 29.364 CG :: 26.889 CD :: 43.543 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 :: 8.491 HA :: 3.681 HB2 :: 1.745 HB3 :: 1.302 HG2 :: 1.296 HG3 :: 1.396 HD2 :: 3.011 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 :: 120.719 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.22 F 0.17 N 0.11 D 0.09 E 0.07 I 0.04 L 0.03 M 0.01 C Shift Assignments>> C :: 178.004 CA :: 56.129 CB :: 38.435 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 :: 7.904 HA :: 4.461 HB2 :: 2.998 HB3 :: 2.775 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 :: 118.805 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 176.727 CA :: 65.824 CB :: 38.130 CG1 :: 28.312 CG2 :: 17.905 CD1 :: 13.941 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 :: 8.470 HA :: 3.466 HB :: 1.899 HG12 :: 1.872 HG13 :: 0.696 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 HD11 :: 0.660 HD12 :: 0.660 HD13 :: 0.660 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.246 Ave N Shift Values>> N :: 121.6(4.72) 1.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.31 P 0.29 C 0.12 I 0.08 W 0.06 R 0.02 E 0.02 K 0.01 H 0.01 M 0.01 C Shift Assignments>> C :: 177.290 CA :: 62.247 CB :: 31.611 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 :: 8.315 HA :: 3.439 HB2 :: 3.333 HB3 :: 2.889 HD2 :: 6.440 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 :: 120.008 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.16 M 0.02 C Shift Assignments>> C :: 178.932 CA :: 59.293 CB :: 32.849 CG :: 25.098 CD :: 29.464 CE :: 41.936 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 :: 8.065 HA :: 4.035 HB2 :: 1.906 HB3 :: 2.007 HG2 :: 1.714 HG3 :: 1.296 HD2 :: 2.172 HD3 :: 1.516 HE2 :: 3.007 HE3 :: 2.751 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 :: 116.289 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.32 R 0.03 G 0.01 C Shift Assignments>> C :: 178.324 CA :: 57.203 CB :: 42.032 CG :: 26.366 CD1 :: 24.855 CD2 :: 23.607 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 :: 7.496 HA :: 4.084 HB2 :: 1.960 HB3 :: 1.800 HG :: 1.970 HD11 :: 1.043 HD12 :: 1.043 HD13 :: 1.043 HD21 :: 0.993 HD22 :: 0.993 HD23 :: 0.993 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 :: 118.039 Ave N Shift Values>> N :: 121.98(4.07) 1.M24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 M 0.22 I 0.15 A 0.02 C Shift Assignments>> C :: 177.472 CA :: 57.468 CB :: 36.316 CG :: 30.270 CE :: 16.015 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 :: 7.060 HA :: 3.798 HB2 :: 1.430 HB3 :: 1.722 HG2 :: 1.952 HG3 :: 0.317(S) HE1 :: 1.304 HE2 :: 1.304 HE3 :: 1.304 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 :: 114.649 Ave N Shift Values>> N :: 120.1(3.88) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.21 C 0.14 Y 0.05 F 0.05 L 0.04 C Shift Assignments>> C :: 176.697 CA :: 52.362 CB :: 39.108 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 :: 7.655 HA :: 4.385 HB2 :: 2.753 HB3 :: 1.893 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.109 Ave N Shift Values>> N :: 120.73(4.2) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.17 C 0.15 K 0.13 L 0.13 D 0.1 I 0.04 R 0.02 N 0.01 C Shift Assignments>> C :: 177.244 CA :: 57.204 CB :: 40.759 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 :: 7.688 HA :: 4.336 HB2 :: 2.925 HB3 :: 2.791 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.938 Ave N Shift Values>> N :: 120.73(4.2) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.21 C 0.15 Y 0.07 F 0.06 L 0.04 C Shift Assignments>> C :: 178.871 CA :: 53.067 CB :: 39.080 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 :: 7.918 HA :: 4.565 HB2 :: 3.138 HB3 :: 2.662 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.266 Ave N Shift Values>> N :: 120.73(4.2) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.39 C 0.01 C Shift Assignments>> C :: 176.560 CA :: 52.902 CB :: 16.937 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.066 HA :: 4.045 HB1 :: 1.442 HB2 :: 1.442 HB3 :: 1.442 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.516 Ave N Shift Values>> N :: 123.23(3.7) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.21 D 0.08 Y 0.05 F 0.03 E 0.02 M 0.02 C Shift Assignments>> C :: 176.910 CA :: 52.331 CB :: 37.662 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 :: 8.183 HA :: 4.735 HB2 :: 3.397 HB3 :: 2.643 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 :: 116.617 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 172.942 CA :: 45.271 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.384 HA2 :: 4.464 HA3 :: 3.557 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.281 Ave N Shift Values>> N :: 109.91(4.29) 1.D31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.14 L 0.06 HN Overlap>> 1.A112 1.A112 C Shift Assignments>> C :: 175.161 CA :: 52.617 CB :: 46.607(S) 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 :: 7.729 HA :: 5.451 HB2 :: 2.288 HB3 :: 1.972 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 :: 119.188 Ave N Shift Values>> N :: 120.73(4.2) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 175.177 CA :: 62.304 CB :: 31.940 CG1 :: 22.537 CG2 :: 22.037 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 :: 9.754 HA :: 4.568 HB :: 2.157 HG11 :: 1.085 HG12 :: 1.085 HG13 :: 1.085 HG21 :: 0.357 HG22 :: 0.357 HG23 :: 0.357 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.938 Ave N Shift Values>> N :: 121.02(4.96) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.25 C 0.12 R 0.11 K 0.07 N 0.06 G 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.648 CA :: 52.052 CB :: 42.585 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.213 HA :: 5.558 HB2 :: 3.651 HB3 :: 2.415 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 :: 131.711 Ave N Shift Values>> N :: 120.73(4.2) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.3 I 0.01 C Shift Assignments>> C :: 180.011 CA :: 63.499 CB :: 31.965 CG1 :: 19.836 CG2 :: 18.495 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 :: 7.761 HA :: 4.473 HB :: 2.158 HG11 :: 0.512 HG12 :: 0.512 HG13 :: 0.512 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 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 :: 106.938 Ave N Shift Values>> N :: 121.02(4.96) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.34 I 0.2 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.810 CA :: 58.813 CB :: 29.485 CG :: 36.825 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 :: 8.433 HA :: 4.356 HB2 :: 2.257 HB3 :: 2.212 HG2 :: 2.368 HG3 :: 2.226 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 :: 123.836 Ave N Shift Values>> N :: 120.68(3.68) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.31 I 0.25 M 0.02 K 0.02 C Shift Assignments>> C :: 181.394 CA :: 58.884 CB :: 29.958 CG :: 37.638 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 :: 9.174 HA :: 4.048 HB2 :: 2.523 HB3 :: 2.273 HG2 :: 2.973 HG3 :: 2.347 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 :: 122.469 Ave N Shift Values>> N :: 120.68(3.68) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.499 CB :: 61.546 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.263 HA :: 4.470 HB2 :: 3.960 HB3 :: 3.850 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.438 Ave N Shift Values>> N :: 116.3(3.95) 1.D38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.837 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.35 E 0.35 I 0.17 M 0.05 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.472 CA :: 59.490 CB :: 30.543 CG :: 36.531 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.049 HB2 :: 2.284 HB3 :: 2.156 HG2 :: 2.393 HG3 :: 2.252 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) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 F 0.26 Y 0.21 C 0.17 K 0.01 L 0.01 C Shift Assignments>> C :: 178.141 CA :: 60.795 CB :: 40.034 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 :: 7.989 HA :: 4.765 HB2 :: 3.452 HB3 :: 3.071 HD1 :: 7.247 HD2 :: 7.225 HE1 :: 7.379 HE2 :: 7.379 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 :: 120.325 Ave N Shift Values>> N :: 120.69(4.18) 1.L41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 L 0.27 R 0.24 G 0.04 HN Overlap>> 1.L139 1.L139 C Shift Assignments>> C :: 177.776 CA :: 58.668 CB :: 42.740 CG :: 28.851 CD1 :: 24.786 CD2 :: 24.631 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 :: 8.261 HA :: 3.757 HB2 :: 1.078 HB3 :: 2.129 HG :: 1.422 HD11 :: 0.695 HD12 :: 0.695 HD13 :: 0.695 HD21 :: -0.174(S) HD22 :: -0.174(S) HD23 :: -0.174(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 :: 117.930 Ave N Shift Values>> N :: 121.98(4.07) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.29 R 0.27 G 0.03 C Shift Assignments>> C :: 178.476 CA :: 58.676 CB :: 32.129 CG :: 29.257 CD :: 42.933 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 :: 7.864 HA :: 4.420 HB2 :: 1.838 HB3 :: 1.795 HG2 :: 1.795 HG3 :: 1.582 HD2 :: 3.220 HD3 :: 3.031 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 :: 115.414 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.12 Q 0.07 I 0.06 M 0.06 C Shift Assignments>> C :: 176.773 CA :: 57.126 CB :: 29.646 CG :: 36.014 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 :: 9.007 HA :: 4.192 HB2 :: 1.892 HB3 :: 2.096 HG2 :: 2.452 HG3 :: 2.157 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.836 Ave N Shift Values>> N :: 120.68(3.68) 1.D44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.22 Y 0.22 C 0.18 D 0.12 L 0.08 I 0.04 N 0.04 K 0.03 E 0.01 C Shift Assignments>> C :: 177.639 CA :: 56.781 CB :: 39.807 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 :: 8.167 HA :: 4.271 HB2 :: 1.700(S) HB3 :: 1.676(S) 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 :: 119.188 Ave N Shift Values>> N :: 120.73(4.2) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 K 0.29 C 0.27 A 0.04 G 0.01 R 0.01 C Shift Assignments>> C :: 176.028 CA :: 53.733 CB :: 42.020 CD1 :: 27.592 CD2 :: 23.248 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 :: 7.161 HA :: 4.485 HB2 :: 1.823 HB3 :: 2.072 HD11 :: 1.239 HD12 :: 1.239 HD13 :: 1.239 HD21 :: 0.973 HD22 :: 0.973 HD23 :: 0.973 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 :: 112.953 Ave N Shift Values>> N :: 121.98(4.07) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.24 Y 0.12 E 0.08 F 0.07 D 0.07 M 0.03 L 0.01 I 0.01 C Shift Assignments>> C :: 174.508 CA :: 54.296 CB :: 37.629 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 :: 6.735 HA :: 4.341 HB2 :: 2.471 HB3 :: 2.966 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.734 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.22 F 0.21 I 0.2 E 0.06 D 0.01 C Shift Assignments>> CA :: 59.098 CB :: 38.391 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 :: 8.797 HA :: 4.468 HB2 :: 3.003 HB3 :: 2.785 HD1 :: 7.047 HD2 :: 7.047 HE1 :: 6.793 HE2 :: 6.793 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 :: 118.149 Ave N Shift Values>> N :: 120.79(4.69) 1.H48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.32 N 0.32 C 0.15 L 0.09 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 50.643 CB :: 40.734 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>> HA :: 5.075 HB2 :: 2.880 HB3 :: 2.487 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 175.466 CA :: 62.989 CB :: 33.691 CG :: 26.195 CD :: 49.858 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 :: 4.393 HB2 :: 1.797 HB3 :: 2.150 HG2 :: 1.886 HG3 :: 1.829 HD2 :: 3.397 HD3 :: 3.821 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.183 CA :: 67.226 CB :: 68.806 CG2 :: 21.217 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 :: 7.693 HA :: 3.858 HB :: 4.135 HG21 :: 1.247 HG22 :: 1.247 HG23 :: 1.247 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 :: 114.320 Ave N Shift Values>> N :: 115.7(5.05) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.Y93 1.Y93 C Shift Assignments>> C :: 178.947 CA :: 66.354 CB :: 31.485 CG1 :: 20.923 CG2 :: 22.365 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 :: 8.364 HA :: 3.852 HB :: 2.050 HG11 :: 0.959 HG12 :: 0.959 HG13 :: 0.959 HG21 :: 1.046 HG22 :: 1.046 HG23 :: 1.046 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 :: 122.113 Ave N Shift Values>> N :: 121.02(4.96) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.28 C Shift Assignments>> C :: 178.308 CA :: 58.343 CB :: 31.743 CG :: 25.666 CD :: 28.232 CE :: 42.021 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 :: 7.972 HA :: 4.053 HB2 :: 1.293 HB3 :: 1.213 HG2 :: 1.264 HG3 :: 1.109 HD2 :: 1.267 HD3 :: 1.187 HE2 :: 2.910 HE3 :: 2.847 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 :: 120.938 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.29 P 0.17 C 0.16 W 0.09 I 0.06 R 0.05 E 0.04 K 0.03 M 0.02 H 0.02 Q 0.01 HN Overlap>> 1.W70 1.W70 C Shift Assignments>> C :: 176.955 CA :: 61.365 CB :: 31.811 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 :: 8.792 HA :: 3.998 HB2 :: 3.202 HB3 :: 3.027 HD2 :: 7.018 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 :: 120.227 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.095 CA :: 61.029 CB :: 62.713 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.215 HA :: 4.428 HB2 :: 4.155 HB3 :: 4.104 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 :: 112.265 Ave N Shift Values>> N :: 116.3(3.95) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 65.655 CB :: 68.613 CG2 :: 21.713 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 :: 8.215 HA :: 4.056 HB :: 4.461 HG21 :: 1.395 HG22 :: 1.395 HG23 :: 1.395 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.641 Ave N Shift Values>> N :: 115.7(5.05) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 F 0.23 Y 0.21 C 0.16 C Shift Assignments>> C :: 175.663 CA :: 61.018 CB :: 39.579 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 :: 8.415 HA :: 4.236 HB2 :: 3.486 HB3 :: 3.193 HD1 :: 6.684 HD2 :: 6.684 HE1 :: 7.336 HE2 :: 7.336 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 :: 123.634 Ave N Shift Values>> N :: 120.69(4.18) 1.H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.13 K 0.12 Q 0.12 C 0.12 H 0.11 R 0.1 I 0.06 M 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 177.639 CA :: 58.219 CB :: 29.268 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 :: 7.375 HA :: 4.214 HB2 :: 2.888 HB3 :: 2.706 HD2 :: 6.208 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 :: 111.641 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 175.709 CA :: 47.198 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.346 HA2 :: 3.779 HA3 :: 3.965 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.164 Ave N Shift Values>> N :: 109.91(4.29) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 K 0.09 M 0.08 Q 0.05 I 0.04 C Shift Assignments>> C :: 175.131 CA :: 56.290 CB :: 29.998 CG :: 36.265 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 :: 8.936 HA :: 4.314 HB2 :: 2.242 HB3 :: 1.848 HG2 :: 2.236 HG3 :: 2.223 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 :: 124.438 Ave N Shift Values>> N :: 120.68(3.68) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.22 L 0.14 C 0.11 F 0.05 K 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 174.842 CA :: 52.660 CB :: 40.830 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 :: 8.183 HA :: 4.762 HB2 :: 3.148 HB3 :: 2.375 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 :: 121.375 Ave N Shift Values>> N :: 120.73(4.2) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.27 M 0.01 C Shift Assignments>> C :: 174.933 CA :: 56.787 CB :: 32.152 CG :: 25.199 CD :: 28.197 CE :: 42.122 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 :: 8.520 HA :: 3.877 HB2 :: 2.066 HB3 :: 1.774 HG2 :: 1.537 HG3 :: 1.369 HD2 :: 1.528 HD3 :: 1.516 HE2 :: 2.987 HE3 :: 2.970 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 :: 123.399 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 C 0.26 L 0.11 A 0.07 C Shift Assignments>> C :: 174.219 CA :: 52.569 CB :: 44.036 CG :: 23.612 CD1 :: 25.999 CD2 :: 23.369 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 :: 7.790 HA :: 4.766 HB2 :: 1.782 HB3 :: 1.119 HG :: 1.962 HD11 :: 1.418 HD12 :: 1.418 HD13 :: 1.418 HD21 :: 0.960 HD22 :: 0.960 HD23 :: 0.960 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 :: 119.899 Ave N Shift Values>> N :: 121.98(4.07) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 I 0.12 A 0.02 C Shift Assignments>> C :: 176.454 CA :: 58.031 CB :: 36.706 CG1 :: 26.077 CG2 :: 16.603 CD1 :: 9.064 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 :: 9.143 HA :: 4.789 HB :: 2.223 HG12 :: 0.702 HG13 :: 1.264 HG21 :: 0.828 HG22 :: 0.828 HG23 :: 0.828 HD11 :: 0.492 HD12 :: 0.492 HD13 :: 0.492 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.500 Ave N Shift Values>> N :: 121.6(4.72) 1.S65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 174.949 CA :: 57.685 CB :: 65.639 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.131 HA :: 5.397 HB2 :: 4.413 HB3 :: 4.248 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 :: 132.859(S) Ave N Shift Values>> N :: 116.3(3.95) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.E77 1.E77 C Shift Assignments>> C :: 177.062 CA :: 67.167 CB :: 30.840 CG1 :: 23.149 CG2 :: 21.451 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 :: 8.750 HA :: 3.120 HB :: 1.679 HG11 :: 0.447 HG12 :: 0.447 HG13 :: 0.447 HG21 :: 0.651 HG22 :: 0.651 HG23 :: 0.651 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 :: 121.703 Ave N Shift Values>> N :: 121.02(4.96) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.32 E 0.24 K 0.03 C Shift Assignments>> CA :: 60.192 CB :: 28.968 CG :: 37.046 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 :: 8.235 HA :: 4.091 HB2 :: 1.674 HB3 :: 2.038 HG2 :: 2.400 HG3 :: 2.339 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 :: 119.297 Ave N Shift Values>> N :: 120.68(3.68) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.47 C 0.17 D 0.14 Y 0.07 F 0.06 L 0.02 E 0.01 C Shift Assignments>> CA :: 53.085 CB :: 38.388 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>> HA :: 4.784 HB2 :: 2.918 HB3 :: 2.853 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.51 C 0.32 R 0.12 G 0.02 C Shift Assignments>> CA :: 57.468 CB :: 42.375 CG :: 26.701 CD1 :: 26.481 CD2 :: 24.218 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> HA :: 4.044 HB2 :: 1.940 HB3 :: 1.441 HG :: 1.654 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 HD21 :: 0.983 HD22 :: 0.983 HD23 :: 0.983 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) 1.W70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 E 0.14 R 0.12 H 0.1 Q 0.08 I 0.06 K 0.06 V 0.04 M 0.04 HN Overlap>> 1.H54 1.H54 C Shift Assignments>> C :: 178.080 CA :: 59.098 CB :: 30.260 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 :: 8.849 HA :: 4.515 HB2 :: 2.314 HB3 :: 2.250 HD1 :: 6.880 HE3 :: 6.903 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 :: 120.281 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 M 0.01 G 0.01 C Shift Assignments>> C :: 179.320 CA :: 59.569 CB :: 32.216 CG :: 25.243 CD :: 29.376 CE :: 42.051 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 :: 8.015 HA :: 3.611 HB2 :: 1.892 HB3 :: 1.862 HG2 :: 1.565 HG3 :: 1.323 HD2 :: 1.673 HD3 :: 1.313 HE2 :: 3.015 HE3 :: 2.948 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 :: 120.117 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.178 CA :: 54.893 CB :: 17.791 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.893 HA :: 3.891 HB1 :: 1.452 HB2 :: 1.452 HB3 :: 1.452 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.797 Ave N Shift Values>> N :: 123.23(3.7) 1.W73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 C 0.13 K 0.12 E 0.12 I 0.11 Q 0.11 R 0.09 H 0.09 L 0.01 M 0.01 V 0.01 C Shift Assignments>> C :: 179.099 CA :: 59.011 CB :: 28.768 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 :: 8.486 HA :: 4.783 HB2 :: 3.296 HB3 :: 3.201 HD1 :: 6.538 HE3 :: 6.530 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 :: 122.195 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K74 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 K 0.33 R 0.18 M 0.02 C Shift Assignments>> C :: 176.682 CA :: 57.294 CB :: 30.557 CG :: 23.923 CD :: 27.956 CE :: 40.857 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 :: 7.817 HA :: 2.011(S) HB2 :: 0.745(S) HB3 :: 0.948 HG2 :: 0.237(S) HG3 :: 0.071(S) HD2 :: 0.956 HD3 :: 0.757(S) HE2 :: 2.540 HE3 :: 2.430 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 :: 116.508 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.413 CA :: 57.704 CB :: 63.865 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.992 HA :: 4.236 HB2 :: 3.829 HB3 :: 3.782 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 :: 111.805 Ave N Shift Values>> N :: 116.3(3.95) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.949 CA :: 58.251 CB :: 64.835 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.347 HA :: 4.233 HB2 :: 4.079 HB3 :: 4.032 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 :: 119.734 Ave N Shift Values>> N :: 116.3(3.95) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.18 K 0.06 M 0.02 Q 0.02 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> C :: 179.236 CA :: 58.784 CB :: 29.526 CG :: 36.564 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 :: 8.751 HA :: 4.069 HB2 :: 2.011 HB3 :: 2.068 HG2 :: 2.449 HG3 :: 2.342 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 :: 121.703 Ave N Shift Values>> N :: 120.68(3.68) 1.V78 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 176.393 CA :: 63.438 CB :: 30.726 CG1 :: 21.503 CG2 :: 20.909 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 :: 7.003 HA :: 1.218(A) HB :: 1.583 HG11 :: 0.177 HG12 :: 0.177 HG13 :: 0.177 HG21 :: -0.078 HG22 :: -0.078 HG23 :: -0.078 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 :: 118.750 Ave N Shift Values>> N :: 121.02(4.96) SRO Rule Breaks>> (HA > HB : 0.9996) 1.Y79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.37 C 0.2 Y 0.19 F 0.16 E 0.04 C Shift Assignments>> C :: 175.466 CA :: 60.853 CB :: 38.135 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 :: 6.509 HA :: 3.058 HB2 :: 1.987 HB3 :: 1.254(S) HD1 :: 6.402 HD2 :: 6.402 HE1 :: 6.884 HE2 :: 6.884 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 :: 118.805 Ave N Shift Values>> N :: 120.79(4.69) 1.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.3 C 0.12 L 0.09 F 0.06 Y 0.06 K 0.01 C Shift Assignments>> C :: 176.032 CA :: 52.945 CB :: 39.986 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 :: 6.717 HA :: 4.637 HB2 :: 3.066 HB3 :: 2.697 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 :: 109.344 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.13 R 0.13 W 0.12 E 0.12 C 0.12 K 0.1 M 0.06 I 0.01 C Shift Assignments>> C :: 179.114 CA :: 55.760 CB :: 29.953 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 :: 8.183 HA :: 5.228 HB2 :: 3.244 HB3 :: 3.178 HD1 :: 6.910 HE3 :: 7.117 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 :: 123.016 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 175.587 CA :: 60.336 CB :: 71.765 CG2 :: 21.743 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 :: 9.706 HA :: 4.606 HB :: 4.873 HG21 :: 1.462 HG22 :: 1.462 HG23 :: 1.462 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 :: 117.383 Ave N Shift Values>> N :: 115.7(5.05) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.L144 1.L144 C Shift Assignments>> C :: 178.080 CA :: 65.584 CB :: 31.904 CG1 :: 21.854 CG2 :: 20.629 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 :: 8.668 HA :: 4.137 HB :: 2.099 HG11 :: 0.863 HG12 :: 0.863 HG13 :: 0.863 HG21 :: 1.025 HG22 :: 1.025 HG23 :: 1.025 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 :: 120.145 Ave N Shift Values>> N :: 121.02(4.96) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.17 K 0.16 C 0.14 L 0.11 D 0.06 I 0.05 R 0.03 C Shift Assignments>> CA :: 57.892 CB :: 41.032 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 :: 7.983 HA :: 4.281 HB2 :: 2.600 HB3 :: 2.520 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.274 Ave N Shift Values>> N :: 120.73(4.2) 1.E85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.45 C 0.37 E 0.15 C Shift Assignments>> C :: 179.524 CA :: 59.474 CB :: 28.876 CG :: 38.399 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 :: 7.643 HA :: 3.649 HB2 :: 2.119 HB3 :: 0.840(S) HG2 :: 2.124 HG3 :: 1.855 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 :: 121.047 Ave N Shift Values>> N :: 120.68(3.68) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.F14 1.F14 C Shift Assignments>> C :: 178.536 CA :: 67.371 CB :: 31.385 CG1 :: 23.828 CG2 :: 22.360 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.568 HA :: 3.895 HB :: 2.662 HG11 :: 1.111 HG12 :: 1.111 HG13 :: 1.111 HG21 :: 1.261 HG22 :: 1.261 HG23 :: 1.261 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 :: 124.000 Ave N Shift Values>> N :: 121.02(4.96) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.V147 1.V147 C Shift Assignments>> C :: 177.275 CA :: 67.351 CB :: 31.035 CG1 :: 24.549 CG2 :: 22.739 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 :: 8.748 HA :: 3.557 HB :: 2.255 HG11 :: 1.126 HG12 :: 1.126 HG13 :: 1.126 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 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 :: 120.828 Ave N Shift Values>> N :: 121.02(4.96) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.23 Q 0.22 R 0.1 E 0.07 I 0.02 M 0.02 P 0.01 C Shift Assignments>> C :: 178.658 CA :: 59.021 CB :: 27.983 CG :: 33.570 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 :: 8.065 HA :: 4.006 HB2 :: 2.016 HB3 :: 2.028 HG2 :: 2.364 HG3 :: 2.334 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 :: 119.078 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 C 0.15 W 0.15 E 0.08 V 0.07 R 0.06 K 0.05 H 0.05 Q 0.04 P 0.03 M 0.01 C Shift Assignments>> C :: 177.867 CA :: 61.058 CB :: 29.372 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 :: 7.827 HA :: 4.385 HB2 :: 3.969 HB3 :: 3.215 HD1 :: 7.440 HE3 :: 7.430 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 :: 124.164 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 R 0.02 G 0.01 C Shift Assignments>> C :: 178.187 CA :: 57.422 CB :: 41.948 CG :: 26.098 CD1 :: 22.780 CD2 :: 24.677 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 :: 9.043 HA :: 3.294 HB2 :: 1.242 HB3 :: 2.243 HG :: 1.088 HD11 :: 0.424 HD12 :: 0.424 HD13 :: 0.424 HD21 :: 0.015 HD22 :: 0.015 HD23 :: 0.015 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.422 Ave N Shift Values>> N :: 121.98(4.07) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> C :: 177.761 CA :: 66.209 CB :: 39.178 CG1 :: 28.961 CG2 :: 17.008 CD1 :: 14.374 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 :: 8.373 HA :: 3.213 HB :: 1.785 HG12 :: 1.818 HG13 :: 0.825 HG21 :: 0.832 HG22 :: 0.832 HG23 :: 0.832 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.820 Ave N Shift Values>> N :: 121.6(4.72) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 174.604 CA :: 64.848 CB :: 70.075 CG2 :: 21.481 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 :: 8.519 HA :: 4.076 HB :: 4.064 HG21 :: 1.061 HG22 :: 1.061 HG23 :: 1.061 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.094 Ave N Shift Values>> N :: 115.7(5.05) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 I 0.24 F 0.24 C 0.19 E 0.03 L 0.01 HN Overlap>> 1.V52 1.V52 C Shift Assignments>> C :: 176.530 CA :: 59.650 CB :: 38.898 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 :: 8.372 HA :: 4.627 HB2 :: 2.933 HB3 :: 2.760 HD1 :: 7.123 HD2 :: 7.098 HE1 :: 7.013 HE2 :: 7.013 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 :: 122.141 Ave N Shift Values>> N :: 120.79(4.69) 1.V94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 174.614 CA :: 63.843 CB :: 29.752 CG1 :: 22.651 CG2 :: 20.979 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 :: 7.462 HA :: 3.133 HB :: 2.188 HG11 :: 0.686 HG12 :: 0.686 HG13 :: 0.686 HG21 :: -0.400(S) HG22 :: -0.400(S) HG23 :: -0.400(S) 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 :: 118.367 Ave N Shift Values>> N :: 121.02(4.96) 1.E95 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.56 E 0.19 I 0.13 K 0.05 L 0.02 Q 0.01 C Shift Assignments>> C :: 175.922 CA :: 56.060 CB :: 26.928 CG :: 37.042 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.610 HA :: 3.896 HB2 :: 2.136 HB3 :: 1.980 HG2 :: 1.881 HG3 :: 1.719 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 :: 109.781(A) Ave N Shift Values>> N :: 120.68(3.68) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 C 0.21 A 0.21 G 0.2 R 0.03 C Shift Assignments>> CA :: 51.971 CB :: 43.252 CG :: 25.199 CD1 :: 26.692 CD2 :: 22.336 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 :: 7.182 HA :: 4.999 HB2 :: 1.344 HB3 :: 1.444 HG :: 1.333 HD11 :: 0.684 HD12 :: 0.684 HD13 :: 0.684 HD21 :: 0.439 HD22 :: 0.439 HD23 :: 0.439 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 :: 117.055 Ave N Shift Values>> N :: 121.98(4.07) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 178.111 CA :: 64.240 CB :: 32.791 CG :: 27.158 CD :: 50.659 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.899 HB2 :: 2.033 HB3 :: 2.145 HG2 :: 1.990 HG3 :: 1.893 HD2 :: 3.182 HD3 :: 3.702 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Q98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 R 0.28 K 0.21 Q 0.13 M 0.02 E 0.01 C Shift Assignments>> C :: 176.955 CA :: 57.616 CB :: 27.049 CG :: 32.256 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.919 HA :: 4.250 HB2 :: 1.882 HB3 :: 1.765 HG2 :: 1.878 HG3 :: 1.244(S) 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 :: 120.172 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.24 F 0.16 I 0.14 E 0.13 M 0.01 D 0.01 C Shift Assignments>> C :: 174.375 CA :: 58.468 CB :: 37.745 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 :: 7.166 HA :: 4.939 HB2 :: 3.613 HB3 :: 2.579 HD1 :: 7.285 HD2 :: 7.261 HE1 :: 6.602 HE2 :: 6.564 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 :: 117.875 Ave N Shift Values>> N :: 120.79(4.69) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.33 E 0.19 K 0.06 Q 0.03 P 0.01 C Shift Assignments>> C :: 176.834 CA :: 60.888 CB :: 28.307 CG :: 35.829 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 :: 7.809 HA :: 3.577 HB2 :: 2.072 HB3 :: 1.981 HG2 :: 2.258 HG3 :: 2.203 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 :: 122.961 Ave N Shift Values>> N :: 120.68(3.68) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 I 0.32 E 0.25 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.992 CA :: 60.332 CB :: 28.825 CG :: 36.351 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 :: 8.981 HA :: 4.029 HB2 :: 2.033 HB3 :: 2.165 HG2 :: 2.362 HG3 :: 2.249 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 :: 118.094 Ave N Shift Values>> N :: 120.68(3.68) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.496 CA :: 66.625 CB :: 68.796 CG2 :: 22.504 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 :: 8.035 HA :: 4.078 HB :: 4.562 HG21 :: 1.454 HG22 :: 1.454 HG23 :: 1.454 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 :: 116.945 Ave N Shift Values>> N :: 115.7(5.05) 1.F103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.16 Y 0.13 F 0.13 E 0.01 C Shift Assignments>> C :: 178.202 CA :: 62.290 CB :: 38.251 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 :: 8.532 HA :: 3.983 HB2 :: 3.484 HB3 :: 3.158 HD1 :: 7.490 HD2 :: 7.490 HE1 :: 6.797 HE2 :: 6.797 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 :: 123.125 Ave N Shift Values>> N :: 120.69(4.18) 1.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.32 K 0.15 G 0.04 C Shift Assignments>> C :: 180.209 CA :: 59.950 CB :: 29.567 CG :: 29.535 CD :: 42.660 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 :: 8.510 HA :: 4.030 HB2 :: 1.999 HB3 :: 1.545 HG2 :: 1.794 HG3 :: 1.932 HD2 :: 3.258 HD3 :: 3.194 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 :: 115.961 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.01 C Shift Assignments>> C :: 179.053 CA :: 59.381 CB :: 32.141 CG :: 25.269 CD :: 29.414 CE :: 42.014 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 :: 8.642 HA :: 4.111 HB2 :: 2.077 HB3 :: 2.005 HG2 :: 1.627 HG3 :: 1.537 HD2 :: 2.062 HD3 :: 2.013 HE2 :: 3.013 HE3 :: 2.958 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 :: 122.770 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.31 R 0.16 A 0.1 G 0.03 C Shift Assignments>> C :: 175.724 CA :: 54.936 CB :: 42.548 CG :: 26.885 CD1 :: 22.183 CD2 :: 26.632 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 :: 7.841 HA :: 4.177 HB2 :: 1.745 HB3 :: 1.492 HG :: 1.858 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.740 HD22 :: 0.740 HD23 :: 0.740 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.781 Ave N Shift Values>> N :: 121.98(4.07) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.29 Q 0.18 R 0.11 M 0.02 E 0.02 C Shift Assignments>> C :: 175.070 CA :: 56.066 CB :: 26.042 CG :: 33.667 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 :: 7.837 HA :: 3.646 HB2 :: 2.327 HB3 :: 2.086 HG2 :: 2.369 HG3 :: 2.333 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.633 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 A 0.02 R 0.01 C Shift Assignments>> C :: 172.942 CA :: 55.815 CB :: 40.865 CG :: 26.638 CD1 :: 22.934 CD2 :: 25.130 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 :: 7.459 HA :: 4.072 HB2 :: 1.641 HB3 :: 1.089 HG :: 1.443 HD11 :: 0.559 HD12 :: 0.559 HD13 :: 0.559 HD21 :: 0.071 HD22 :: 0.071 HD23 :: 0.071 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.406 Ave N Shift Values>> N :: 121.98(4.07) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.01 C Shift Assignments>> C :: 175.466 CA :: 56.211 CB :: 65.605 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.669 HA :: 4.472 HB2 :: 4.218 HB3 :: 3.807 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.656 Ave N Shift Values>> N :: 116.3(3.95) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.38 C 0.2 G 0.18 A 0.11 N 0.05 D 0.01 C Shift Assignments>> C :: 175.557 CA :: 48.369 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.660 HA2 :: 4.358 HA3 :: 3.505 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.320 Ave N Shift Values>> N :: 109.91(4.29) 1.H111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.13 R 0.13 Q 0.12 C 0.12 K 0.09 M 0.06 I 0.02 V 0.01 C Shift Assignments>> C :: 177.016 CA :: 57.084 CB :: 30.080 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 :: 7.475 HA :: 4.504 HB2 :: 3.200 HB3 :: 2.983 HD2 :: 6.714 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 :: 114.266 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.2 C 0.03 L 0.01 HN Overlap>> 1.D31 1.D31 C Shift Assignments>> C :: 178.369 CA :: 52.662 CB :: 19.766 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.781 HA :: 4.382 HB1 :: 1.472 HB2 :: 1.472 HB3 :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.270 Ave N Shift Values>> N :: 123.23(3.7) 1.M113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 M 0.22 I 0.05 C Shift Assignments>> CA :: 59.082 CB :: 29.413 CG :: 33.216 CE :: 14.894 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 :: 7.710 HA :: 4.029 HB2 :: 2.168 HB3 :: 1.523 HG2 :: 2.306 HG3 :: 2.255 HE1 :: 0.672 HE2 :: 0.672 HE3 :: 0.672 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.203 Ave N Shift Values>> N :: 120.1(3.88) 1.P114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.275 CA :: 66.078 CB :: 31.757 CG :: 27.868 CD :: 50.566 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.703 HB2 :: 1.669 HB3 :: 1.588 HG2 :: 0.307(S) HG3 :: 1.390 HD2 :: 3.521 HD3 :: 3.338 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.31 G 0.29 C Shift Assignments>> C :: 178.232 CA :: 58.109 CB :: 30.223 CG :: 27.456 CD :: 44.657 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 :: 7.318 HA :: 3.883 HB2 :: 1.920 HB3 :: 2.083 HG2 :: 1.782 HG3 :: 1.529 HD2 :: 3.257 HD3 :: 3.113 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 :: 110.383 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.35 A 0.04 R 0.02 C Shift Assignments>> C :: 176.864 CA :: 55.423 CB :: 41.575 CG :: 25.887 CD1 :: 22.786 CD2 :: 25.699 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 :: 7.616 HA :: 4.184 HB2 :: 1.380 HB3 :: 1.998 HG :: 1.064 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 HD21 :: 0.718 HD22 :: 0.718 HD23 :: 0.718 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.344 Ave N Shift Values>> N :: 121.98(4.07) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.25 C 0.03 L 0.02 C Shift Assignments>> C :: 175.238 CA :: 53.142 CB :: 19.868 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.153 HA :: 4.578 HB1 :: 1.347 HB2 :: 1.347 HB3 :: 1.347 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.367 Ave N Shift Values>> N :: 123.23(3.7) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.35 I 0.01 C Shift Assignments>> CA :: 59.454 CB :: 34.072 CG1 :: 19.370 CG2 :: 22.127 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 :: 6.737 HA :: 4.474 HB :: 2.208 HG11 :: 0.968 HG12 :: 0.968 HG13 :: 0.968 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 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 :: 108.688 Ave N Shift Values>> N :: 121.02(4.96) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.627 CA :: 62.713 CB :: 69.162 CG2 :: 21.659 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 :: 4.115 HB :: 4.380 HG21 :: 1.211 HG22 :: 1.211 HG23 :: 1.211 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) 1.N120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.19 K 0.11 N 0.11 C 0.1 F 0.06 Y 0.05 R 0.03 C Shift Assignments>> CA :: 53.712 CB :: 41.299 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 :: 7.984 HA :: 4.562 HB2 :: 2.378 HB3 :: 2.180 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.961 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 63.048 CB :: 68.880 CG2 :: 22.327 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 :: 4.156 HB :: 4.333 HG21 :: 1.265 HG22 :: 1.265 HG23 :: 1.265 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) 1.T122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 66.377 CB :: 69.034 CG2 :: 22.343 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 :: 3.855 HB :: 4.169 HG21 :: 1.261 HG22 :: 1.261 HG23 :: 1.261 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) 1.M123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.47 C 0.44 A 0.07 C Shift Assignments>> C :: 177.016 CA :: 56.675 CB :: 32.173 CG :: 32.478 CE :: 17.349 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 :: 8.540 HA :: 4.402 HB2 :: 2.279 HB3 :: 2.279 HG2 :: 2.450 HG3 :: 2.450 HE1 :: 1.943 HE2 :: 1.943 HE3 :: 1.943 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.T124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 63.274 CB :: 68.810 CG2 :: 21.809 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 :: 8.110 HA :: 4.131 HB :: 4.307 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.258 Ave N Shift Values>> N :: 115.7(5.05) 1.G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 174.812 CA :: 46.032 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.978 HA3 :: 3.783 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.T126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.040 CA :: 63.587 CB :: 69.170 CG2 :: 21.702 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 :: 7.924 HA :: 4.288 HB :: 4.295 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 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 :: 114.594 Ave N Shift Values>> N :: 115.7(5.05) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 175.952 CA :: 64.586 CB :: 31.905 CG1 :: 22.530 CG2 :: 21.569 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 :: 7.954 HA :: 3.931 HB :: 2.285 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 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 :: 122.524 Ave N Shift Values>> N :: 121.02(4.96) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.26 R 0.14 G 0.02 C Shift Assignments>> CA :: 54.984 CB :: 42.496 CG :: 27.393 CD1 :: 25.700 CD2 :: 24.439 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 :: 7.856 HA :: 4.187 HB2 :: 1.733 HB3 :: 1.466 HG :: 1.459 HD11 :: 0.727 HD12 :: 0.727 HD13 :: 0.727 HD21 :: 0.597 HD22 :: 0.597 HD23 :: 0.597 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 :: 117.492 Ave N Shift Values>> N :: 121.98(4.07) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.23 M 0.2 Q 0.18 K 0.14 E 0.1 H 0.02 W 0.02 R 0.02 Y 0.01 N 0.01 C Shift Assignments>> CA :: 55.099 CB :: 34.504 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>> HA :: 4.687 HB2 :: 1.945 HB3 :: 1.721 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) 1.M130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.72 I 0.14 A 0.09 C 0.02 C Shift Assignments>> CA :: 56.644 CE :: 16.843 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.509 HE1 :: 1.365 HE2 :: 1.365 HE3 :: 1.365 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.94 C 0.04 C Shift Assignments>> C :: 176.560 CA :: 62.906 CB :: 69.319 CG2 :: 21.759 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 :: 4.127 HB :: 4.205 HG21 :: 1.225 HG22 :: 1.225 HG23 :: 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) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.14 C 0.14 K 0.13 F 0.12 Y 0.08 G 0.03 D 0.02 I 0.02 C Shift Assignments>> C :: 176.758 CA :: 58.486 CB :: 42.931 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 :: 7.324 HA :: 4.148 HB2 :: 2.775 HB3 :: 2.398 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 :: 124.492 Ave N Shift Values>> N :: 120.73(4.2) 1.R133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 K 0.08 G 0.06 C Shift Assignments>> C :: 178.308 CA :: 59.343 CB :: 30.000 CG :: 27.285 CD :: 43.124 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 :: 8.335 HA :: 3.855 HB2 :: 1.925 HB3 :: 1.905 HG2 :: 1.748 HG3 :: 1.655 HD2 :: 3.220 HD3 :: 3.184 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.617 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.928 CA :: 61.335 CB :: 62.254 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.586 HA :: 4.370 HB2 :: 4.036 HB3 :: 3.994 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.274 Ave N Shift Values>> N :: 116.3(3.95) 1.H135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.13 M 0.13 W 0.12 K 0.12 E 0.11 H 0.11 Q 0.06 V 0.02 I 0.01 C Shift Assignments>> C :: 176.712 CA :: 57.227 CB :: 31.546 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 :: 8.104 HA :: 4.468 HB2 :: 3.464 HB3 :: 3.155 HD2 :: 6.876 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 :: 124.656 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.1 K 0.07 C Shift Assignments>> C :: 178.460 CA :: 59.539 CB :: 30.326 CG :: 27.666 CD :: 43.490 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 :: 7.929 HA :: 4.004 HB2 :: 1.939 HB3 :: 1.955 HG2 :: 1.774 HG3 :: 1.634 HD2 :: 3.292 HD3 :: 3.225 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.203 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.23 E 0.14 R 0.05 I 0.03 M 0.02 C Shift Assignments>> C :: 177.487 CA :: 58.675 CB :: 28.747 CG :: 34.078 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 :: 8.062 HA :: 4.150 HB2 :: 2.158 HB3 :: 2.198 HG2 :: 2.540 HG3 :: 2.426 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 :: 118.039 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 M 0.01 G 0.01 C Shift Assignments>> C :: 178.050 CA :: 59.434 CB :: 32.506 CG :: 25.157 CD :: 29.437 CE :: 42.070 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.854 HA :: 4.035 HB2 :: 1.948 HB3 :: 1.902 HG2 :: 1.548 HG3 :: 1.360 HD2 :: 1.717 HD3 :: 1.677 HE2 :: 2.946 HE3 :: 2.932 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 :: 120.336 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.33 R 0.2 K 0.04 G 0.01 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 177.259 CA :: 58.326 CB :: 42.011 CG :: 27.214 CD1 :: 25.114 CD2 :: 27.180 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 :: 8.270 HA :: 3.925 HB2 :: 1.991 HB3 :: 1.379 HG :: 1.773 HD11 :: 1.180 HD12 :: 1.180 HD13 :: 1.180 HD21 :: 1.053 HD22 :: 1.053 HD23 :: 1.053 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 :: 117.930 Ave N Shift Values>> N :: 121.98(4.07) 1.Q140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.24 Q 0.22 R 0.12 E 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 178.050 CA :: 58.762 CB :: 28.061 CG :: 33.334 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 :: 8.099 HA :: 4.445 HB2 :: 2.151 HB3 :: 2.259 HG2 :: 2.465 HG3 :: 2.300 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 :: 117.274 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.34 R 0.1 G 0.01 C Shift Assignments>> C :: 180.041 CA :: 58.186 CB :: 42.156 CG :: 27.281 CD1 :: 25.122 CD2 :: 23.884 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 :: 8.067 HA :: 4.146 HB2 :: 1.894 HB3 :: 1.698 HG :: 1.833 HD11 :: 0.969 HD12 :: 0.969 HD13 :: 0.969 HD21 :: 0.913 HD22 :: 0.913 HD23 :: 0.913 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 :: 118.586 Ave N Shift Values>> N :: 121.98(4.07) 1.K142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.27 M 0.01 C Shift Assignments>> C :: 179.935 CA :: 57.434 CB :: 32.179 CG :: 25.178 CD :: 27.909 CE :: 42.005 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 :: 8.299 HA :: 4.514 HB2 :: 1.836 HB3 :: 2.192 HG2 :: 1.738 HG3 :: 1.713 HD2 :: 1.705 HD3 :: 1.268 HE2 :: 2.756 HE3 :: 2.742 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.055 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.2 I 0.09 C 0.03 V 0.01 C Shift Assignments>> C :: 178.278 CA :: 56.233 CB :: 18.166 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.413 HA :: 4.391 HB1 :: 1.556 HB2 :: 1.556 HB3 :: 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 :: 124.820 Ave N Shift Values>> N :: 123.23(3.7) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 L 0.36 R 0.21 G 0.04 K 0.01 HN Overlap>> 1.V83 1.V83 C Shift Assignments>> C :: 174.964 CA :: 59.091 CB :: 42.763 CG :: 27.385 CD1 :: 25.270 CD2 :: 26.165 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 :: 8.674 HA :: 3.812 HB2 :: 1.990 HB3 :: 2.253 HG :: 1.941 HD11 :: 1.077 HD12 :: 1.077 HD13 :: 1.077 HD21 :: 1.085 HD22 :: 1.085 HD23 :: 1.085 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 :: 120.227 Ave N Shift Values>> N :: 121.98(4.07) 1.D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 L 0.22 C 0.12 K 0.1 F 0.08 Y 0.05 D 0.04 G 0.04 C Shift Assignments>> C :: 177.943 CA :: 57.208 CB :: 43.209 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 :: 7.917 HA :: 4.603 HB2 :: 3.373 HB3 :: 3.140 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.399 Ave N Shift Values>> N :: 120.73(4.2) 1.T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.210 CA :: 66.722 CB :: 69.422 CG2 :: 22.215 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 :: 8.354 HA :: 4.128 HB :: 4.141 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.031 Ave N Shift Values>> N :: 115.7(5.05) 1.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.09 HN Overlap>> 1.V87 1.V87 C Shift Assignments>> C :: 176.362 CA :: 65.989 CB :: 31.521 CG1 :: 23.460 CG2 :: 19.701 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 :: 8.682 HA :: 3.514 HB :: 1.857 HG11 :: 0.295 HG12 :: 0.295 HG13 :: 0.295 HG21 :: 0.260 HG22 :: 0.260 HG23 :: 0.260 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 :: 120.828 Ave N Shift Values>> N :: 121.02(4.96) 1.L148 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.39 C 0.32 R 0.17 G 0.1 C Shift Assignments>> C :: 178.521 CA :: 56.899 CB :: 43.382 CG :: 26.834 CD1 :: 23.281 CD2 :: 26.519 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 :: 7.529 HA :: 3.912 HB2 :: -0.106(S) HB3 :: 1.338 HG :: 1.593 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 HD21 :: 0.678 HD22 :: 0.678 HD23 :: 0.678 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.758 Ave N Shift Values>> N :: 121.98(4.07) 1.F149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 C 0.18 D 0.1 L 0.07 I 0.06 N 0.03 K 0.03 E 0.01 C Shift Assignments>> C :: 176.134 CA :: 57.146 CB :: 39.747 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 :: 8.112 HA :: 5.022 HB2 :: 3.399 HB3 :: 3.294 HD1 :: 7.577 HD2 :: 7.577 HE1 :: 7.345 HE2 :: 7.345 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 :: 113.281 Ave N Shift Values>> N :: 120.69(4.18) 1.G150 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>> CA :: 46.591 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.971 HA2 :: 3.786 HA3 :: 3.974 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.109 Ave N Shift Values>> N :: 109.91(4.29) 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 136 #Clerical: 0 #Suspicious: 12 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 145 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 148 #Suspicious: 2 C Shift Results: #Consistent: 568 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 958 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 1 N Shift Results: #Consistent: 123 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: 1.M24 HG3 = 0.317(S), Expected = 2.41, Std = 0.4000, ChiSquare = 1.6723e-07 1.D31 CB = 46.607(S), Expected = 40.70, Std = 1.6700, ChiSquare = 4.0451e-04 1.L41 HD21 = -0.174(S), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5081e-04 1.L41 HD22 = -0.174(S), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5081e-04 1.L41 HD23 = -0.174(S), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5081e-04 1.D44 HB2 = 1.700(S), Expected = 2.74, Std = 0.2900, ChiSquare = 3.3552e-04 1.D44 HB3 = 1.676(S), Expected = 2.70, Std = 0.2900, ChiSquare = 4.1394e-04 1.S65 N = 132.859(S), Expected = 116.30, Std = 3.9500, ChiSquare = 2.7632e-05 1.K74 HA = 2.011(S), Expected = 4.28, Std = 0.4500, ChiSquare = 4.6016e-07 1.K74 HB2 = 0.745(S), Expected = 1.79, Std = 0.2500, ChiSquare = 2.9151e-05 1.K74 HG2 = 0.237(S), Expected = 1.38, Std = 0.2700, ChiSquare = 2.3025e-05 1.K74 HG3 = 0.071(S), Expected = 1.37, Std = 0.2900, ChiSquare = 7.4885e-06 1.K74 HD3 = 0.757(S), Expected = 1.61, Std = 0.2500, ChiSquare = 6.4488e-04 1.K74 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K74 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.V78 HA = 1.218(A), Expected = 4.16, Std = 0.5700, ChiSquare = 2.4511e-07 1.V78 SRO Rule Break>> HA > HB : 0.999553969669938 1.Y79 HB3 = 1.254(S), Expected = 2.91, Std = 0.3700, ChiSquare = 7.6170e-06 1.E85 HB3 = 0.840(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.8146e-07 1.V94 HG21 = -0.400(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.2215e-05 1.V94 HG22 = -0.400(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.2215e-05 1.V94 HG23 = -0.400(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.2215e-05 1.E95 N = 109.781(A), Expected = 120.68, Std = 3.6800, ChiSquare = 3.0596e-03 1.Q98 HG3 = 1.244(S), Expected = 2.32, Std = 0.2900, ChiSquare = 2.0698e-04 1.P114 HG2 = 0.307(S), Expected = 1.93, Std = 0.3600, ChiSquare = 6.5339e-06 1.L148 HB2 = -0.106(S), Expected = 1.63, Std = 0.3400, ChiSquare = 3.2925e-07