Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.33 A 0.15 C Shift Assignments>> C :: 176.415 CA :: 55.242 CB :: 32.992 CG :: 32.224 CE :: 17.003 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.473 HA :: 4.426 HB2 :: 1.979 HB3 :: 2.081 HG2 :: 2.487 HG3 :: 2.615 HE1 :: 2.066 HE2 :: 2.066 HE3 :: 2.066 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.808 Ave N Shift Values>> N :: 120.09(3.57) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 C Shift Assignments>> C :: 177.451 CA :: 52.851 CB :: 19.297 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.014 HA :: 4.216 HB1 :: 1.375 HB2 :: 1.375 HB3 :: 1.375 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.331 Ave N Shift Values>> N :: 123.23(3.54) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.1 N 0.1 F 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.M58 1.M58 C Shift Assignments>> C :: 176.037 CA :: 54.302 CB :: 41.156 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.247 HA :: 4.542 HB2 :: 2.551 HB3 :: 2.674 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.200 Ave N Shift Values>> N :: 120.65(3.86) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.12 Q 0.06 K 0.05 I 0.01 C Shift Assignments>> C :: 176.194 CA :: 56.263 CB :: 30.430 CG :: 36.233 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.207 HA :: 4.231 HB2 :: 1.874 HB3 :: 1.954 HG2 :: 2.182 HG3 :: 2.182 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.056 Ave N Shift Values>> N :: 120.67(3.48) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.28 R 0.14 G 0.01 C Shift Assignments>> CA :: 53.870 CB :: 32.221 CG :: 24.815 CD :: 29.096 CE :: 42.202 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.325 HA :: 4.393 HB2 :: 1.696 HB3 :: 1.696 HG2 :: 1.438 HG3 :: 1.438 HD2 :: 1.706 HD3 :: 1.706 HE2 :: 3.001 HE3 :: 3.001 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.959 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.951 CA :: 63.640 CB :: 32.022 CG :: 27.380 CD :: 50.676 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.386 HB2 :: 1.828 HB3 :: 2.255 HG2 :: 1.983 HG3 :: 1.983 HD2 :: 3.589 HD3 :: 3.793 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.13 C Shift Assignments>> C :: 176.743 CA :: 56.395 CB :: 32.923 CG :: 24.778 CD :: 28.995 CE :: 42.155 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.536 HA :: 4.222 HB2 :: 1.720 HB3 :: 1.795 HG2 :: 1.454 HG3 :: 1.454 HD2 :: 1.645 HD3 :: 1.645 HE2 :: 2.947 HE3 :: 2.947 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.486 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.1 Q 0.06 K 0.06 I 0.02 C Shift Assignments>> C :: 176.850 CA :: 56.473 CB :: 30.307 CG :: 36.233 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.498 HA :: 4.228 HB2 :: 1.906 HB3 :: 1.906 HG2 :: 2.205 HG3 :: 2.205 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.135 Ave N Shift Values>> N :: 120.67(3.48) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.897 CA :: 45.253 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.482 HA2 :: 3.938 HA3 :: 3.938 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.379 Ave N Shift Values>> N :: 109.67(3.87) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 HN Overlap>> 1.I81 1.R64 1.I81 1.R64 C Shift Assignments>> C :: 176.228 CA :: 62.306 CB :: 32.727 CG1 :: 21.162 CG2 :: 20.624 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.992 HA :: 4.075 HB :: 2.022 HG11 :: 0.893 HG12 :: 0.893 HG13 :: 0.893 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.653 Ave N Shift Values>> N :: 121.14(4.54) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.38 R 0.13 C Shift Assignments>> C :: 176.694 CA :: 56.177 CB :: 32.958 CG :: 24.766 CD :: 28.912 CE :: 42.155 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.546 HA :: 4.396 HB2 :: 1.811 HB3 :: 1.730 HG2 :: 1.381 HG3 :: 1.381 HD2 :: 1.645 HD3 :: 1.645 HE2 :: 2.936 HE3 :: 2.936 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.021 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.495 CA :: 61.926 CB :: 69.748 CG2 :: 21.642 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.277 HA :: 4.273 HB :: 4.172 HG21 :: 1.151 HG22 :: 1.151 HG23 :: 1.151 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.497 Ave N Shift Values>> N :: 115.42(4.75) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.33 M 0.12 Q 0.06 K 0.05 I 0.02 C Shift Assignments>> C :: 175.984 CA :: 56.475 CB :: 30.476 CG :: 36.167 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.529 HA :: 4.260 HB2 :: 1.893 HB3 :: 1.893 HG2 :: 2.231 HG3 :: 2.231 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.237 Ave N Shift Values>> N :: 120.67(3.48) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.17 C 0.08 F 0.06 Y 0.06 L 0.04 C Shift Assignments>> C :: 174.762 CA :: 52.850 CB :: 38.801 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.543 HA :: 4.904 HB2 :: 2.637 HB3 :: 2.877 HD21 :: 7.014 HD22 :: 7.556 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.988 ND2 :: 112.029 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.2 C 0.09 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> C :: 174.866 CA :: 53.461 CB :: 39.025 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.643 HA :: 4.648 HB2 :: 2.797 HB3 :: 2.797 HD21 :: 7.662 HD22 :: 6.935 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.387 ND2 :: 113.322 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 F 0.1 K 0.08 Y 0.08 C 0.06 C Shift Assignments>> C :: 175.853 CA :: 54.473 CB :: 40.958 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.401 HA :: 4.560 HB2 :: 2.640 HB3 :: 2.640 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.987 Ave N Shift Values>> N :: 120.65(3.86) 1.H31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 C 0.49 C Shift Assignments>> C :: 174.564 CA :: 56.975 CB :: 31.860 CD2 :: 121.973 CE1 :: 138.362 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.179 HA :: 4.895 HB2 :: 2.873 HB3 :: 2.761 HD2 :: 6.568 HE1 :: 7.842 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.044 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.41 G 0.02 C Shift Assignments>> C :: 172.637 CA :: 59.722 CB :: 42.318 CG1 :: 26.395 CG2 :: 16.826 CD1 :: 14.499 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.126 HA :: 4.605 HB :: 1.575 HG12 :: 0.855 HG13 :: 1.304 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 HD11 :: 0.454 HD12 :: 0.454 HD13 :: 0.454 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.438 Ave N Shift Values>> N :: 121.46(4.28) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.33 L 0.11 C 0.06 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 174.654 CA :: 52.246 CB :: 40.273 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.003 HA :: 5.473 HB2 :: 2.680 HB3 :: 2.496 HD21 :: 6.768 HD22 :: 8.081 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.506 ND2 :: 114.950 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.31 L 0.19 A 0.02 C Shift Assignments>> C :: 175.659 CA :: 52.931 CB :: 46.812 CG :: 27.075 CD1 :: 26.652 CD2 :: 24.370 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.052 HA :: 5.074 HB2 :: 1.393 HB3 :: 1.182 HG :: 1.388 HD11 :: 0.618 HD12 :: 0.618 HD13 :: 0.618 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.253 Ave N Shift Values>> N :: 121.86(3.9) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.33 R 0.21 C Shift Assignments>> C :: 175.198 CA :: 55.053 CB :: 34.531 CG :: 25.823 CD :: 29.229 CE :: 42.031 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.630 HA :: 4.895 HB2 :: 1.897 HB3 :: 1.511 HG2 :: 1.211 HG3 :: 1.241 HD2 :: 1.552 HD3 :: 1.552 HE2 :: 2.826 HE3 :: 2.870 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.514 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.453 CA :: 61.254 CB :: 32.552 CG1 :: 22.480 CG2 :: 21.740 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.187 HA :: 4.901 HB :: 1.998 HG11 :: 0.040 HG12 :: 0.040 HG13 :: 0.040 HG21 :: 0.730 HG22 :: 0.730 HG23 :: 0.730 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.527 Ave N Shift Values>> N :: 121.14(4.54) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 176.934 CA :: 50.791 CB :: 21.095 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.297 HA :: 5.258 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 133.025 Ave N Shift Values>> N :: 123.23(3.54) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.3 G 0.18 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 175.915 CA :: 43.819 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.621 HA2 :: 4.561 HA3 :: 3.761 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.931 Ave N Shift Values>> N :: 109.67(3.87) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.21 E 0.18 I 0.03 R 0.02 M 0.01 C Shift Assignments>> C :: 175.932 CA :: 57.766 CB :: 28.745 CG :: 34.777 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.026 HA :: 4.149 HB2 :: 2.201 HB3 :: 2.034 HG2 :: 2.429 HG3 :: 2.429 HE21 :: 7.626 HE22 :: 7.022 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.797 NE2 :: 114.266 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.31 L 0.12 F 0.07 C 0.06 Y 0.06 HN Overlap>> 1.A88 1.A88 C Shift Assignments>> C :: 176.858 CA :: 53.123 CB :: 40.072 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.289 HA :: 4.499 HB2 :: 3.037 HB3 :: 2.648 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.964 Ave N Shift Values>> N :: 120.65(3.86) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.270 CA :: 45.261 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.899 HA2 :: 4.280 HA3 :: 3.720 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.391 Ave N Shift Values>> N :: 109.67(3.87) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.488 CA :: 58.546 CB :: 63.794 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.019 HA :: 4.343 HB2 :: 3.847 HB3 :: 3.907 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.952 Ave N Shift Values>> N :: 116.28(3.52) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 175.460 CA :: 61.973 CB :: 35.084 CG1 :: 21.868 CG2 :: 21.162 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.598 HA :: 4.957 HB :: 1.924 HG11 :: 0.823 HG12 :: 0.823 HG13 :: 0.823 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.591 Ave N Shift Values>> N :: 121.14(4.54) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 174.278 CA :: 60.953 CB :: 34.786 CG1 :: 22.673 CG2 :: 21.496 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.616 HA :: 4.341 HB :: 2.063 HG11 :: 0.767 HG12 :: 0.767 HG13 :: 0.767 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.288 Ave N Shift Values>> N :: 121.14(4.54) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 C 0.25 Q 0.21 E 0.16 K 0.04 C Shift Assignments>> C :: 174.809 CA :: 55.144 CB :: 31.136 CG :: 34.659 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.504 HA :: 5.187 HB2 :: 2.044 HB3 :: 1.818 HG2 :: 2.179 HG3 :: 2.119 HE21 :: 6.925 HE22 :: 7.422 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.377 NE2 :: 111.887 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 F 0.17 C 0.12 C Shift Assignments>> CA :: 57.460 CB :: 44.805 CD1 :: 133.333 CD2 :: 132.114 CE1 :: 132.202 CE2 :: 132.202 CZ :: 129.596 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.101 HA :: 4.689 HB2 :: 2.952 HB3 :: 2.509 HD1 :: 7.066 HD2 :: 7.066 HE1 :: 7.192 HE2 :: 7.192 HZ :: 7.221 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.123 Ave N Shift Values>> N :: 120.45(4.18) 1.ALY47 Overall Status: Residue type ALY not supported. 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.35 G 0.03 C Shift Assignments>> C :: 173.602 CA :: 59.350 CB :: 42.444 CG1 :: 26.622 CG2 :: 16.559 CD1 :: 14.436 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.007 HA :: 4.845 HB :: 1.802 HG12 :: 1.450 HG13 :: 1.305 HG21 :: 0.759 HG22 :: 0.759 HG23 :: 0.759 HD11 :: 0.675 HD12 :: 0.675 HD13 :: 0.675 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.000 Ave N Shift Values>> N :: 121.46(4.28) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.21 C Shift Assignments>> C :: 178.547 CA :: 56.901 CB :: 32.287 CG :: 25.989 CD :: 29.324 CE :: 42.031 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.278 HA :: 4.455 HB2 :: 1.725 HB3 :: 1.789 HG2 :: 1.179 HG3 :: 0.697 HD2 :: 1.496 HD3 :: 1.496 HE2 :: 2.825 HE3 :: 2.858 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.649 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 K 0.14 R 0.08 G 0.06 C Shift Assignments>> C :: 175.738 CA :: 59.753 CB :: 29.821 CG :: 30.082 CD :: 42.977 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.139 HA :: 3.585 HB2 :: 1.257 HB3 :: 1.460 HG2 :: 1.520 HG3 :: 1.452 HD2 :: 3.143 HD3 :: 3.240 HE :: 7.297 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.145 NE :: 83.953 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.62 C 0.37 C Shift Assignments>> C :: 174.645 CA :: 55.295 CB :: 29.484 CD2 :: 120.000 CE1 :: 137.956 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.828 HA :: 4.770 HB2 :: 3.369 HB3 :: 2.890 HD2 :: 7.085 HE1 :: 7.798 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 111.533 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> CA :: 60.631 CB :: 70.640 CG2 :: 21.631 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.404 HA :: 4.535 HB :: 4.071 HG21 :: 1.404 HG22 :: 1.404 HG23 :: 1.404 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.300 Ave N Shift Values>> N :: 115.42(4.75) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 178.368 CA :: 62.728 CB :: 32.187 CG :: 28.011 CD :: 51.120 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.236 HB2 :: 2.278 HB3 :: 2.037 HG2 :: 1.912 HG3 :: 2.096 HD2 :: 3.964 HD3 :: 3.671 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.26 L 0.13 K 0.06 C Shift Assignments>> C :: 177.273 CA :: 57.410 CB :: 41.663 CG :: 29.171 CD1 :: 26.572 CD2 :: 24.673 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.049 HA :: 3.763 HB2 :: 1.673 HB3 :: 1.026 HG :: 1.486 HD11 :: 0.542 HD12 :: 0.542 HD13 :: 0.542 HD21 :: 0.586 HD22 :: 0.586 HD23 :: 0.586 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.684 Ave N Shift Values>> N :: 121.86(3.9) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.25 V 0.23 I 0.22 P 0.1 C 0.06 F 0.03 Y 0.02 S 0.02 C Shift Assignments>> C :: 175.944 CA :: 62.098 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.352 HA :: 3.918 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.534 Ave N Shift Values>> N :: 116.28(3.52) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 C Shift Assignments>> C :: 179.104 CA :: 59.789 CB :: 32.204 CG :: 25.336 CD :: 29.052 CE :: 42.109 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.708 HA :: 3.944 HB2 :: 1.724 HB3 :: 1.863 HG2 :: 1.397 HG3 :: 1.518 HD2 :: 1.669 HD3 :: 1.669 HE2 :: 2.975 HE3 :: 2.975 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.415 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.23 R 0.2 G 0.01 C Shift Assignments>> C :: 177.280 CA :: 58.020 CB :: 42.117 CG :: 26.396 CD1 :: 24.036 CD2 :: 27.579 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.992 HA :: 3.572 HB2 :: 1.356 HB3 :: 1.415 HG :: 0.642 HD11 :: 0.144 HD12 :: 0.144 HD13 :: 0.144 HD21 :: 0.357 HD22 :: 0.357 HD23 :: 0.357 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.138 Ave N Shift Values>> N :: 121.86(3.9) 1.M58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 M 0.38 HN Overlap>> 1.D17 1.D17 C Shift Assignments>> C :: 177.469 CA :: 59.631 CB :: 32.771 CG :: 31.469 CE :: 17.585 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.264 HA :: 3.252 HB2 :: 1.660 HB3 :: 1.660 HG2 :: 0.219(S) HG3 :: 1.839 HE1 :: 1.453 HE2 :: 1.453 HE3 :: 1.453 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.120 Ave N Shift Values>> N :: 120.09(3.57) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.39 R 0.13 C Shift Assignments>> C :: 178.790 CA :: 59.871 CB :: 32.637 CG :: 25.716 CD :: 29.341 CE :: 42.155 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.258 HA :: 3.972 HB2 :: 1.819 HB3 :: 1.819 HG2 :: 1.382 HG3 :: 1.541 HD2 :: 1.635 HD3 :: 1.635 HE2 :: 2.939 HE3 :: 2.939 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.660 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 M 0.46 C 0.03 I 0.03 C Shift Assignments>> C :: 180.792 CA :: 55.038 CB :: 18.464 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.548 HA :: 4.233 HB1 :: 1.522 HB2 :: 1.522 HB3 :: 1.522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.845 Ave N Shift Values>> N :: 123.23(3.54) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 176.899 CA :: 63.029 CB :: 38.267 CD1 :: 131.890 CE1 :: 118.741 CE2 :: 118.741 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.849 HA :: 4.076 HB2 :: 3.275 HB3 :: 3.021 HD1 :: 7.066 HD2 :: 7.066 HE1 :: 6.642 HE2 :: 6.642 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.283 Ave N Shift Values>> N :: 120.52(4.2) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 P 0.41 C 0.11 C Shift Assignments>> C :: 177.235 CA :: 65.799 CB :: 26.117 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.372 HA :: 3.755 HB2 :: 3.088 HB3 :: 3.169 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.156 Ave N Shift Values>> N :: 120.17(4.64) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.15 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.265 CA :: 59.169 CB :: 29.547 CG :: 36.433 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.301 HA :: 4.057 HB2 :: 2.134 HB3 :: 2.051 HG2 :: 2.238 HG3 :: 2.432 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.790 Ave N Shift Values>> N :: 120.67(3.48) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.43 G 0.08 K 0.02 HN Overlap>> 1.V24 1.V24 C Shift Assignments>> C :: 178.097 CA :: 58.720 CB :: 30.096 CG :: 26.915 CD :: 43.553 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.027 HA :: 4.058 HB2 :: 1.909 HB3 :: 1.989 HG2 :: 1.771 HG3 :: 1.771 HD2 :: 3.119 HD3 :: 3.170 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.650 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 M 0.24 C 0.23 K 0.15 E 0.04 C Shift Assignments>> C :: 176.189 CA :: 54.707 CB :: 30.476 CG :: 33.597 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.761 HA :: 4.251 HB2 :: 1.355 HB3 :: 1.986 HG2 :: 1.632 HG3 :: 1.632 HE21 :: 6.725 HE22 :: 6.779 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 112.565 NE2 :: 109.400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.548 CA :: 46.776 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.721 HA2 :: 3.901 HA3 :: 3.901 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.932 Ave N Shift Values>> N :: 109.67(3.87) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 C 0.13 A 0.12 C Shift Assignments>> C :: 175.849 CA :: 52.898 CB :: 45.954 CG :: 26.363 CD1 :: 26.314 CD2 :: 22.570 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.074 HA :: 4.665 HB2 :: 1.377 HB3 :: 1.462 HG :: 1.348 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 HD21 :: 0.786 HD22 :: 0.786 HD23 :: 0.786 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.103 Ave N Shift Values>> N :: 121.86(3.9) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.812 CA :: 56.303 CB :: 64.406 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.531 HA :: 4.729 HB2 :: 3.785 HB3 :: 3.944 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.717 Ave N Shift Values>> N :: 116.28(3.52) 1.M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.46 A 0.01 HN Overlap>> 1.D99 1.D99 C Shift Assignments>> C :: 177.502 CA :: 57.852 CB :: 32.846 CG :: 32.919 CE :: 17.003 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.001 HA :: 4.308 HB2 :: 2.132 HB3 :: 2.740 HG2 :: 2.716 HG3 :: 2.716 HE1 :: 2.066 HE2 :: 2.066 HE3 :: 2.066 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 126.367 Ave N Shift Values>> N :: 120.09(3.57) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.41 K 0.06 G 0.04 C Shift Assignments>> C :: 177.456 CA :: 57.480 CB :: 30.101 CG :: 27.277 CD :: 43.059 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.040 HA :: 4.269 HB2 :: 1.785 HB3 :: 1.887 HG2 :: 1.655 HG3 :: 1.655 HD2 :: 3.199 HD3 :: 3.199 HE :: 7.232 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.302 NE :: 84.993 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.26 Q 0.2 E 0.19 K 0.05 C Shift Assignments>> C :: 175.197 CA :: 55.907 CB :: 31.068 CG :: 34.753 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.828 HA :: 4.446 HB2 :: 2.346 HB3 :: 2.188 HG2 :: 2.396 HG3 :: 2.317 HE21 :: 7.593 HE22 :: 6.937 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.700 NE2 :: 112.018 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.35 A 0.01 C Shift Assignments>> C :: 174.254 CA :: 58.971 CB :: 41.224 CG1 :: 25.523 CG2 :: 19.143 CD1 :: 14.627 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.330 HA :: 4.971 HB :: 1.645 HG12 :: 1.191 HG13 :: 1.150 HG21 :: 0.625 HG22 :: 0.625 HG23 :: 0.625 HD11 :: 0.695 HD12 :: 0.695 HD13 :: 0.695 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.260 Ave N Shift Values>> N :: 121.46(4.28) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.1 K 0.1 C Shift Assignments>> C :: 173.705 CA :: 53.767 CB :: 33.286 CG :: 26.797 CD :: 43.224 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.483 HA :: 4.615 HB2 :: 1.721 HB3 :: 1.335 HG2 :: 1.445 HG3 :: 1.497 HD2 :: 3.142 HD3 :: 3.256 HE :: 7.381 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.192 NE :: 84.002 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 HN Overlap>> 1.E83 1.E83 C Shift Assignments>> C :: 176.042 CA :: 56.254 CB :: 41.686 CD1 :: 133.333 CD2 :: 132.271 CE1 :: 130.719 CE2 :: 130.732 CZ :: 130.869 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.077 HA :: 5.323 HB2 :: 2.854 HB3 :: 2.592 HD1 :: 7.064 HD2 :: 7.064 HE1 :: 6.845 HE2 :: 6.845 HZ :: 7.225 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.136 Ave N Shift Values>> N :: 120.45(4.18) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 G 0.25 R 0.06 K 0.05 C Shift Assignments>> C :: 173.746 CA :: 54.878 CB :: 35.965 CG :: 27.760 CD :: 43.636 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.558 HA :: 5.215 HB2 :: 1.538 HB3 :: 1.722 HG2 :: 1.277 HG3 :: 1.406 HD2 :: 2.674 HD3 :: 2.715 HE :: 7.166 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.901 NE :: 83.642 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.23 G 0.01 C Shift Assignments>> C :: 175.249 CA :: 55.882 CB :: 41.890 CD1 :: 131.805 CD2 :: 131.795 CE1 :: 131.515 CE2 :: 131.541 CZ :: 131.078 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.996 HA :: 5.335 HB2 :: 2.936 HB3 :: 2.832 HD1 :: 7.347 HD2 :: 7.347 HE1 :: 7.299 HE2 :: 7.299 HZ :: 7.340 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.280 Ave N Shift Values>> N :: 120.45(4.18) 1.D77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.3 D 0.21 F 0.13 Y 0.13 C 0.1 L 0.08 I 0.01 C Shift Assignments>> C :: 175.892 CA :: 54.508 CB :: 39.221 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.499 HA :: 4.010 HB2 :: 2.613 HB3 :: 1.416(S) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 132.174 Ave N Shift Values>> N :: 120.65(3.86) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.994 CA :: 45.262 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.724 HA2 :: 3.465 HA3 :: 4.134 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.553 Ave N Shift Values>> N :: 109.67(3.87) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 M 0.27 Q 0.26 K 0.15 R 0.01 C Shift Assignments>> CA :: 52.237 CB :: 30.312 CG :: 32.987 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.880 HA :: 4.904 HB2 :: 2.055 HB3 :: 2.194 HG2 :: 2.334 HG3 :: 2.405 HE21 :: 7.558 HE22 :: 6.923 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.790 NE2 :: 112.583 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.336 CA :: 63.294 CB :: 32.385 CG :: 27.724 CD :: 50.873 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.698 HB2 :: 2.342 HB3 :: 1.949 HG2 :: 1.916 HG3 :: 2.178 HD2 :: 3.835 HD3 :: 3.743 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.48 HN Overlap>> 1.V24 1.V24 C Shift Assignments>> C :: 175.006 CA :: 60.315 CB :: 40.311 CG1 :: 26.817 CG2 :: 19.510 CD1 :: 15.063 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.920 HA :: 4.407 HB :: 1.662 HG12 :: 0.841 HG13 :: 1.367 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 HD11 :: 0.629 HD12 :: 0.629 HD13 :: 0.629 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.581 Ave N Shift Values>> N :: 121.46(4.28) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.24 L 0.17 C 0.05 F 0.04 K 0.04 Y 0.03 C Shift Assignments>> C :: 175.971 CA :: 52.007 CB :: 41.074 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.212 HA :: 4.982 HB2 :: 2.609 HB3 :: 2.774 HD21 :: 6.984 HD22 :: 8.003 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.956 ND2 :: 116.661 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.23 I 0.18 M 0.02 HN Overlap>> 1.F74 1.F74 C Shift Assignments>> C :: 175.876 CA :: 59.802 CB :: 30.629 CG :: 37.614 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.078 HA :: 3.746 HB2 :: 1.972 HB3 :: 2.027 HG2 :: 2.239 HG3 :: 2.323 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.136 Ave N Shift Values>> N :: 120.67(3.48) 1.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 175.634 CA :: 61.541 CB :: 69.333 CG2 :: 21.942 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.237 HA :: 4.163 HB :: 4.479 HG21 :: 1.199 HG22 :: 1.199 HG23 :: 1.199 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 102.132 Ave N Shift Values>> N :: 115.42(4.75) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.2 K 0.19 F 0.09 R 0.08 Y 0.06 C 0.05 N 0.02 C Shift Assignments>> C :: 175.077 CA :: 55.242 CB :: 41.983 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.548 HA :: 4.723 HB2 :: 2.872 HB3 :: 2.415 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.260 Ave N Shift Values>> N :: 120.65(3.86) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.6 C 0.3 A 0.08 C Shift Assignments>> CA :: 57.498 CB :: 69.420 CG2 :: 21.162 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.424 HA :: 5.048 HB :: 4.420 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.692 Ave N Shift Values>> N :: 115.42(4.75) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 178.783 CA :: 65.598 CB :: 32.155 CG :: 27.913 CD :: 51.152 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.216 HB2 :: 2.079 HB3 :: 1.786 HG2 :: 1.585 HG3 :: 2.014 HD2 :: 3.819 HD3 :: 3.819 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.41 C 0.02 I 0.02 HN Overlap>> 1.D40 1.D40 C Shift Assignments>> C :: 181.611 CA :: 54.630 CB :: 18.413 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.284 HA :: 4.028 HB1 :: 0.980 HB2 :: 0.980 HB3 :: 0.980 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.924 Ave N Shift Values>> N :: 123.23(3.54) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.26 Q 0.26 R 0.05 E 0.05 M 0.02 I 0.01 C Shift Assignments>> C :: 178.005 CA :: 58.450 CB :: 28.721 CG :: 33.699 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.982 HA :: 3.995 HB2 :: 2.133 HB3 :: 2.294 HG2 :: 2.446 HG3 :: 2.446 HE21 :: 6.778 HE22 :: 7.483 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.236 NE2 :: 110.489 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 C 0.3 R 0.16 A 0.15 G 0.01 C Shift Assignments>> C :: 174.708 CA :: 54.428 CB :: 42.210 CG :: 27.438 CD1 :: 22.173 CD2 :: 26.256 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.411 HA :: 4.329 HB2 :: 1.550 HB3 :: 1.652 HG :: 1.676 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.778 HD22 :: 0.778 HD23 :: 0.778 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.951 Ave N Shift Values>> N :: 121.86(3.9) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.19 E 0.14 K 0.06 L 0.01 Q 0.01 C Shift Assignments>> C :: 176.036 CA :: 57.246 CB :: 26.391 CG :: 36.772 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.691 HA :: 3.802 HB2 :: 2.141 HB3 :: 2.288 HG2 :: 2.129 HG3 :: 2.129 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.070 Ave N Shift Values>> N :: 120.67(3.48) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.34 A 0.1 C Shift Assignments>> C :: 175.190 CA :: 56.863 CB :: 34.810 CG :: 33.534 CE :: 18.436 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.784 HA :: 4.210 HB2 :: 1.751 HB3 :: 1.263 HG2 :: 1.270 HG3 :: 2.128 HE1 :: 1.154 HE2 :: 1.154 HE3 :: 1.154 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.476 Ave N Shift Values>> N :: 120.09(3.57) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.38 E 0.1 Q 0.02 C Shift Assignments>> C :: 174.576 CA :: 53.577 CB :: 33.202 CG :: 35.807 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.383 HA :: 4.497 HB2 :: 1.756 HB3 :: 2.064 HG2 :: 2.195 HG3 :: 2.302 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.916 Ave N Shift Values>> N :: 120.67(3.48) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.2 F 0.14 D 0.11 Y 0.1 R 0.09 C 0.06 I 0.01 C Shift Assignments>> C :: 177.447 CA :: 56.907 CB :: 41.911 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.467 HA :: 4.540 HB2 :: 2.634 HB3 :: 2.634 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.156 Ave N Shift Values>> N :: 120.65(3.86) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.2 E 0.12 K 0.07 Q 0.03 R 0.01 C Shift Assignments>> C :: 175.532 CA :: 58.375 CB :: 26.369 CG :: 36.202 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.489 HA :: 3.694 HB2 :: 2.435 HB3 :: 2.222 HG2 :: 2.274 HG3 :: 2.054 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.365 Ave N Shift Values>> N :: 120.67(3.48) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.22 D 0.16 F 0.1 R 0.1 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 174.496 CA :: 55.890 CB :: 42.038 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.034 HA :: 4.869 HB2 :: 2.947 HB3 :: 2.661 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.644 Ave N Shift Values>> N :: 120.65(3.86) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 174.123 CA :: 62.252 CB :: 71.493 CG2 :: 22.467 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.437 HA :: 5.185 HB :: 3.938 HG21 :: 1.067 HG22 :: 1.067 HG23 :: 1.067 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.692 Ave N Shift Values>> N :: 115.42(4.75) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 C Shift Assignments>> C :: 173.653 CA :: 60.477 CB :: 40.978 CG1 :: 28.154 CG2 :: 18.585 CD1 :: 14.716 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.468 HA :: 4.548 HB :: 1.756 HG12 :: 0.790 HG13 :: 1.610 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 HD11 :: 0.573 HD12 :: 0.573 HD13 :: 0.573 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.253 Ave N Shift Values>> N :: 121.46(4.28) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.24 R 0.05 C 0.04 D 0.03 F 0.01 HN Overlap>> 1.M69 1.M69 C Shift Assignments>> C :: 174.867 CA :: 54.158 CB :: 44.907 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.018 HA :: 5.316 HB2 :: 2.498 HB3 :: 2.498 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.432 Ave N Shift Values>> N :: 120.65(3.86) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 174.851 CA :: 60.148 CB :: 34.247 CG1 :: 21.577 CG2 :: 21.971 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.804 HA :: 4.699 HB :: 1.477 HG11 :: 0.461 HG12 :: 0.461 HG13 :: 0.461 HG21 :: 0.298 HG22 :: 0.298 HG23 :: 0.298 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.721 Ave N Shift Values>> N :: 121.14(4.54) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.79 C 0.19 G 0.01 C Shift Assignments>> C :: 174.190 CA :: 56.195 CB :: 42.049 CD1 :: 131.721 CD2 :: 131.721 CE1 :: 131.370 CE2 :: 130.960 CZ :: 129.683 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.676 HA :: 4.696 HB2 :: 2.959 HB3 :: 2.661 HD1 :: 6.996 HD2 :: 6.996 HE1 :: 7.112 HE2 :: 7.112 HZ :: 7.170 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.652 Ave N Shift Values>> N :: 120.45(4.18) 1.Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.23 K 0.2 M 0.13 E 0.1 R 0.01 C Shift Assignments>> C :: 175.368 CA :: 55.415 CB :: 29.947 CG :: 34.087 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.655 HA :: 4.624 HB2 :: 1.925 HB3 :: 2.078 HG2 :: 2.315 HG3 :: 2.279 HE21 :: 7.471 HE22 :: 6.767 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.545 NE2 :: 111.242 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.25 C 0.23 M 0.11 E 0.05 R 0.02 C Shift Assignments>> C :: 175.357 CA :: 55.713 CB :: 29.759 CG :: 33.565 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.345 HA :: 4.313 HB2 :: 1.864 HB3 :: 1.939 HG2 :: 2.218 HG3 :: 2.218 HE21 :: 6.823 HE22 :: 7.392 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.149 NE2 :: 111.880 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.26 C 0.24 M 0.08 E 0.07 R 0.02 C Shift Assignments>> C :: 176.156 CA :: 56.220 CB :: 29.587 CG :: 33.749 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.706 HA :: 4.255 HB2 :: 1.991 HB3 :: 1.991 HG2 :: 2.368 HG3 :: 2.368 HE21 :: 7.566 HE22 :: 6.868 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.150 NE2 :: 112.775 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.011 CA :: 62.032 CB :: 69.856 CG2 :: 21.569 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.359 HA :: 4.360 HB :: 4.233 HG21 :: 1.186 HG22 :: 1.186 HG23 :: 1.186 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.767 Ave N Shift Values>> N :: 115.42(4.75) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.638 CA :: 45.294 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.527 HA2 :: 3.991 HA3 :: 3.991 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.910 Ave N Shift Values>> N :: 109.67(3.87) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.980 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.035 HA2 :: 3.735 HA3 :: 3.735 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.301 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 104 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 92 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 14 Shift Relative Order (SRO) Results: #Consistent: 106 #Suspicious: 0 C Shift Results: #Consistent: 399 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 654 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 105 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M58 HG2 = 0.219(S), Expected = 2.42, Std = 0.3500, ChiSquare = 3.2040e-10 1.D77 HB3 = 1.416(S), Expected = 2.66, Std = 0.2800, ChiSquare = 8.8772e-06