Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.62 P 0.21 A 0.07 Q 0.05 R 0.02 C Shift Assignments>> C :: 177.041 CA :: 51.058 CG :: 34.178 CE :: 24.553(S) 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>> HA :: 4.054 HB2 :: 2.012 HB3 :: 1.862 HG2 :: 2.169 HG3 :: 2.169 HE1 :: 1.987 HE2 :: 1.987 HE3 :: 1.987 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) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.058 CA :: 58.303 CB :: 63.868 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.170 HA :: 4.348 HB2 :: 3.712 HB3 :: 3.712 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 :: 121.533 Ave N Shift Values>> N :: 116.28(3.52) 1.Y3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.731 CA :: 57.946 CB :: 38.884 CD1 :: 133.117 CE1 :: 118.111 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 :: 8.125 HA :: 4.561 HB2 :: 2.956 HB3 :: 2.846 HD1 :: 7.006 HD2 :: 7.006 HE1 :: 6.738 HE2 :: 6.738 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 :: 122.382 Ave N Shift Values>> N :: 120.52(4.2) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 A 0.03 C Shift Assignments>> C :: 173.509 CA :: 57.896 CB :: 39.192 CG1 :: 26.835 CG2 :: 16.956 CD1 :: 12.588 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 :: 8.015 HA :: 4.274 HB :: 1.626 HG12 :: 1.363 HG13 :: 0.993 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 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 :: 127.482 Ave N Shift Values>> N :: 121.46(4.28) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.404 CA :: 63.439 CB :: 31.974 CG :: 27.338 CD :: 50.870 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 :: 4.183 HB2 :: 2.244 HB3 :: 1.853 HG2 :: 1.984 HG3 :: 1.908 HD2 :: 3.620 HD3 :: 3.536 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.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 174.082 CA :: 45.146 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.423 HA2 :: 3.953 HA3 :: 3.792 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.92 E 0.07 C Shift Assignments>> C :: 173.973 CA :: 53.522 CB :: 28.955 CG :: 33.526 CD :: 180.521 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 :: 7.986 HA :: 4.585 HB2 :: 2.045 HB3 :: 1.908 HG2 :: 2.282 HG3 :: 2.282 HE21 :: 7.517 HE22 :: 6.826 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>> NE2 :: 112.403 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.778 CA :: 63.117 CB :: 32.034 CG :: 27.453 CD :: 50.580 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 :: 4.423 HB2 :: 2.225 HB3 :: 1.836 HG2 :: 1.961 HG3 :: 1.923 HD2 :: 3.750 HD3 :: 3.589 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.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.386 CA :: 62.342 CB :: 32.781 CG1 :: 20.775 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 :: 8.296 HA :: 4.172 HB :: 2.018 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 :: 120.566 Ave N Shift Values>> N :: 121.14(4.54) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.499 CA :: 61.590 CB :: 69.954 CG2 :: 21.537 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 :: 8.235 HA :: 4.321 HB :: 4.157 HG21 :: 1.124 HG22 :: 1.124 HG23 :: 1.124 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 :: 117.806 Ave N Shift Values>> N :: 115.42(4.75) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 L 0.01 C Shift Assignments>> C :: 174.666 CA :: 52.007 CB :: 19.875 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.073 HA :: 4.540 HB1 :: 1.262 HB2 :: 1.262 HB3 :: 1.262 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.558 Ave N Shift Values>> N :: 123.23(3.54) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 HN Overlap>> 1.V80 1.V80 C Shift Assignments>> C :: 174.990 CA :: 61.618 CB :: 33.104 CG1 :: 20.922 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 :: 8.484 HA :: 4.204 HB :: 1.984 HG11 :: 0.852 HG12 :: 0.852 HG13 :: 0.852 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 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 :: 120.498 Ave N Shift Values>> N :: 121.14(4.54) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.141 CA :: 60.986 CB :: 33.144 CG1 :: 21.551 CG2 :: 20.761 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 :: 8.118 HA :: 4.843 HB :: 1.817 HG11 :: 0.769 HG12 :: 0.769 HG13 :: 0.769 HG21 :: 0.817 HG22 :: 0.817 HG23 :: 0.817 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 :: 124.007 Ave N Shift Values>> N :: 121.14(4.54) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.97 E 0.02 C Shift Assignments>> C :: 173.870 CA :: 53.934 CB :: 32.143 CG :: 33.046 CD :: 179.198 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 :: 9.054 HA :: 4.614 HB2 :: 1.592 HB3 :: 1.769 HG2 :: 2.045 HG3 :: 2.014 HE21 :: 7.124 HE22 :: 6.719 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 :: 124.757 NE2 :: 110.972 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 K 0.17 G 0.09 C Shift Assignments>> C :: 176.081 CA :: 55.278 CB :: 31.198 CG :: 27.710 CD :: 43.277 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 :: 8.602 HA :: 5.036 HB2 :: 1.732 HB3 :: 1.618 HG2 :: 1.493 HG3 :: 1.390 HD2 :: 3.089 HD3 :: 3.089 HE :: 7.172 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 :: 123.970 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.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.773 CA :: 61.220 CB :: 35.353 CG1 :: 20.673 CG2 :: 21.548 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 :: 8.694 HA :: 4.304 HB :: 1.640 HG11 :: 0.593 HG12 :: 0.593 HG13 :: 0.593 HG21 :: 0.640 HG22 :: 0.640 HG23 :: 0.640 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 :: 124.820 Ave N Shift Values>> N :: 121.14(4.54) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.37 I 0.01 C Shift Assignments>> C :: 173.810 CA :: 55.088 CB :: 31.524 CG :: 37.513 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 :: 9.160 HA :: 4.939 HB2 :: 1.907 HB3 :: 1.907 HG2 :: 1.920 HG3 :: 1.764 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 :: 129.391 Ave N Shift Values>> N :: 120.67(3.48) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.777 CA :: 60.643 CB :: 40.096 CG1 :: 25.828 CG2 :: 17.090 CD1 :: 15.700 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 :: 8.830 HA :: 4.134 HB :: 1.780 HG12 :: 1.451 HG13 :: 1.451 HG21 :: 0.779 HG22 :: 0.779 HG23 :: 0.779 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 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 :: 124.847 Ave N Shift Values>> N :: 121.46(4.28) 1.H19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.53 W 0.46 C Shift Assignments>> C :: 173.997 CA :: 54.532 CB :: 28.489 CD2 :: 119.487 CE1 :: 136.510 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 :: 8.856 HA :: 4.745 HB2 :: 3.157 HB3 :: 3.104 HD2 :: 7.170 HE1 :: 8.299 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 :: 128.321 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.25 M 0.19 Q 0.17 K 0.16 Y 0.05 V 0.04 I 0.02 F 0.02 H 0.02 R 0.02 W 0.01 HN Overlap>> 1.K76 1.K76 C Shift Assignments>> C :: 175.603 CA :: 57.826 CB :: 35.025 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 :: 8.545 HA :: 4.019 HB2 :: 2.117 HB3 :: 2.117 HG2 :: 1.550 HG3 :: 1.550 HE2 :: 3.139 HE3 :: 3.139 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 :: 123.322 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 Y 0.09 F 0.07 D 0.07 E 0.06 M 0.04 L 0.01 C Shift Assignments>> C :: 175.742 CA :: 53.469 CB :: 37.528 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 :: 8.155 HA :: 4.535 HB2 :: 2.006 HB3 :: 2.006 HG :: 1.190 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 0.885 HD22 :: 0.885 HD23 :: 0.885 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 :: 122.807 Ave N Shift Values>> N :: 121.86(3.9) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.16 G 0.06 C Shift Assignments>> C :: 175.822 CA :: 56.008 CB :: 30.409 CG :: 27.531 CD :: 43.082 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 :: 8.739 HA :: 4.728 HB2 :: 1.764 HB3 :: 1.611 HG2 :: 1.458 HG3 :: 1.458 HD2 :: 3.201 HD3 :: 3.085 HE :: 7.348 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 :: 126.951 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.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.82 E 0.17 C Shift Assignments>> C :: 175.431 CA :: 54.863 CB :: 30.434 CG :: 33.911 CD :: 180.314 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 :: 8.593 HA :: 4.477 HB2 :: 1.935 HB3 :: 1.727 HG2 :: 2.153 HG3 :: 2.153 HE21 :: 7.468 HE22 :: 6.799 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 :: 128.950 NE2 :: 111.693 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.958 CA :: 46.981 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.009 HA2 :: 3.597 HA3 :: 3.961 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.269 Ave N Shift Values>> N :: 109.67(3.87) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.13 Q 0.12 M 0.1 I 0.04 C Shift Assignments>> C :: 175.972 CA :: 56.387 CB :: 29.895 CG :: 36.111 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 :: 9.063 HA :: 4.228 HB2 :: 2.153 HB3 :: 1.795 HG2 :: 2.223 HG3 :: 2.178 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 :: 126.350 Ave N Shift Values>> N :: 120.67(3.48) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.41 C Shift Assignments>> C :: 173.634 CA :: 52.577 CB :: 41.154 CG :: 176.558 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 :: 8.000 HA :: 4.790 HB2 :: 2.824 HB3 :: 2.648 HD21 :: 7.631 HD22 :: 7.023 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 :: 117.979 ND2 :: 114.416 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.21 L 0.2 F 0.06 K 0.06 Y 0.04 C Shift Assignments>> C :: 176.417 CA :: 52.631 CB :: 41.098 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 :: 8.348 HA :: 4.898 HB2 :: 1.585 HB3 :: 1.585 HG :: 1.458 HD11 :: 1.156 HD12 :: 1.156 HD13 :: 1.156 HD21 :: 1.156 HD22 :: 1.156 HD23 :: 1.156 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 :: 122.555 Ave N Shift Values>> N :: 121.86(3.9) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.951 CA :: 60.342 CB :: 39.788 CG2 :: 17.767 CD1 :: 12.913 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 :: 9.382 HA :: 4.206 HB :: 1.973 HG12 :: 1.429 HG13 :: 1.429 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 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 :: 125.200 Ave N Shift Values>> N :: 121.46(4.28) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 F 0.31 Y 0.3 L 0.01 C Shift Assignments>> CA :: 60.290 CB :: 39.885 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 :: 8.479 HA :: 4.191 HB2 :: 2.207 HB3 :: 2.207 HG :: 1.471 HD11 :: 0.694 HD12 :: 0.694 HD13 :: 0.694 HD21 :: 0.694 HD22 :: 0.694 HD23 :: 0.694 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 :: 125.190 Ave N Shift Values>> N :: 121.86(3.9) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 175.420 CA :: 45.440 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.105 HA2 :: 4.147 HA3 :: 3.955 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.065 Ave N Shift Values>> N :: 109.67(3.87) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 D 0.17 L 0.15 K 0.04 N 0.04 I 0.04 C Shift Assignments>> C :: 172.251 CA :: 56.738 CB :: 40.304 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 :: 7.368 HA :: 5.178 HB2 :: 2.933 HB3 :: 2.544 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 :: 115.927 Ave N Shift Values>> N :: 120.45(4.18) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.334 CA :: 56.879 CB :: 65.859 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.478 HA :: 4.762 HB2 :: 3.888 HB3 :: 3.508 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 :: 114.993 Ave N Shift Values>> N :: 116.28(3.52) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 I 0.07 A 0.04 C Shift Assignments>> C :: 175.618 CA :: 58.866 CB :: 43.721 CG1 :: 25.547 CG2 :: 20.198 CD1 :: 14.791 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 :: 8.410 HA :: 5.701 HB :: 1.831 HG12 :: 1.363 HG13 :: 1.363 HG21 :: 0.768 HG22 :: 0.768 HG23 :: 0.768 HD11 :: 0.336 HD12 :: 0.336 HD13 :: 0.336 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 :: 113.297 Ave N Shift Values>> N :: 121.46(4.28) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.31 G 0.12 D 0.05 F 0.05 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.247 CA :: 43.631 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.260 HA2 :: 4.635 HA3 :: 3.627 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.829 Ave N Shift Values>> N :: 109.67(3.87) 1.G35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.4 L 0.28 R 0.2 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 174.137 CA :: 44.268 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.548 HA2 :: 5.269(S) HA3 :: 3.884 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.944 Ave N Shift Values>> N :: 109.67(3.87) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.31 G 0.18 D 0.05 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> C :: 177.680 CA :: 43.807 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.664 HA2 :: 4.693 HA3 :: 3.978 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.448 Ave N Shift Values>> N :: 109.67(3.87) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.326 CA :: 64.610 CB :: 37.810 CG1 :: 26.088 CG2 :: 17.973 CD1 :: 13.746 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 :: 8.497 HA :: 4.124 HB :: 2.041 HG12 :: 1.282 HG13 :: 0.905 HG21 :: 0.961 HG22 :: 0.961 HG23 :: 0.961 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 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 :: 114.741 Ave N Shift Values>> N :: 121.46(4.28) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.3 L 0.09 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.329 CA :: 52.637 CB :: 39.794 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 :: 9.781 HA :: 4.631 HB2 :: 2.930 HB3 :: 2.575 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 :: 117.982 Ave N Shift Values>> N :: 120.65(3.86) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.89 E 0.09 C Shift Assignments>> C :: 175.123 CA :: 53.809 CB :: 30.204 CG :: 33.853 CD :: 179.971 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 :: 7.383 HA :: 4.432 HB2 :: 1.788 HB3 :: 1.788 HG2 :: 2.249 HG3 :: 2.120 HE21 :: 7.113 HE22 :: 6.750 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 :: 119.074 NE2 :: 113.998 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>> D 0.41 L 0.21 N 0.21 K 0.06 F 0.04 Y 0.02 R 0.02 HN Overlap>> 1.M87 1.M87 C Shift Assignments>> C :: 176.434 CA :: 51.380 CB :: 41.544 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 :: 8.620 HA :: 4.838 HB2 :: 2.621 HB3 :: 2.793 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 :: 123.108 Ave N Shift Values>> N :: 120.65(3.86) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.338 CA :: 64.346 CB :: 31.943 CG :: 26.957 CD :: 51.031 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 :: 4.565 HB2 :: 2.166 HB3 :: 1.903 HG2 :: 2.019 HG3 :: 1.875 HD2 :: 4.081 HD3 :: 4.049 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.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.292 CA :: 61.065 CB :: 62.997 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.411 HA :: 4.150 HB2 :: 3.892 HB3 :: 3.892 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 :: 115.249 Ave N Shift Values>> N :: 116.28(3.52) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.37 R 0.08 M 0.06 E 0.05 C Shift Assignments>> C :: 174.995 CA :: 54.837 CB :: 28.770 CG :: 33.649 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 :: 7.592 HA :: 4.200 HB2 :: 2.288 HB3 :: 1.872 HG2 :: 2.267 HG3 :: 2.267 HE21 :: 7.452 HE22 :: 6.772 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 :: 118.424 NE2 :: 113.049 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.76 D 0.14 F 0.02 L 0.02 Y 0.02 HN Overlap>> 1.A69 1.R59 1.A69 1.R59 C Shift Assignments>> C :: 174.149 CA :: 49.940 CB :: 38.914 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 :: 7.229 HA :: 4.758 HB2 :: 2.722 HB3 :: 3.095 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 :: 119.643 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.973 CA :: 63.394 CB :: 31.815 CG :: 25.836 CD :: 50.421 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 :: 4.146 HB2 :: 1.871 HB3 :: 1.033 HG2 :: 1.590 HG3 :: 0.892 HD2 :: 3.920 HD3 :: 3.451 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.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 M 0.22 K 0.21 E 0.08 V 0.04 R 0.04 H 0.04 W 0.03 Y 0.01 C Shift Assignments>> C :: 174.993 CA :: 57.466 CB :: 34.214 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 :: 7.591 HA :: 4.347 HB2 :: 2.242 HB3 :: 3.125 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 :: 115.856 Ave N Shift Values>> N :: 120.45(4.18) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.363 CA :: 56.830 CB :: 63.808 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.803 HA :: 4.194 HB2 :: 3.882 HB3 :: 3.558 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 :: 112.150 Ave N Shift Values>> N :: 116.28(3.52) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 M 0.11 I 0.09 K 0.07 Q 0.05 C Shift Assignments>> C :: 176.307 CA :: 57.980 CB :: 30.314 CG :: 36.446 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 :: 8.996 HA :: 4.124 HB2 :: 2.012 HB3 :: 1.946 HG2 :: 2.275 HG3 :: 2.193 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 :: 124.463 Ave N Shift Values>> N :: 120.67(3.48) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.24 N 0.14 K 0.09 F 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 176.656 CA :: 52.844 CB :: 41.534 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 :: 7.961 HA :: 4.566 HB2 :: 2.890 HB3 :: 2.658 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 :: 117.472 Ave N Shift Values>> N :: 120.65(3.86) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 176.387 CA :: 56.481 CB :: 30.466 CG :: 24.361 CD :: 29.706 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 :: 8.454 HA :: 4.191 HB2 :: 1.892 HB3 :: 1.892 HG2 :: 1.704 HG3 :: 1.704 HD2 :: 1.426 HD3 :: 1.426 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 :: 120.286 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 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 :: 174.700 CA :: 61.667 CB :: 69.950 CG2 :: 21.564 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 :: 8.386 HA :: 4.333 HB :: 4.321 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 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 :: 108.627 Ave N Shift Values>> N :: 115.42(4.75) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.26 K 0.16 F 0.09 Y 0.07 N 0.06 R 0.03 HN Overlap>> 1.D75 1.D75 C Shift Assignments>> C :: 176.844 CA :: 54.645 CB :: 41.523 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 :: 7.619 HA :: 4.494 HB2 :: 3.138 HB3 :: 2.776 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 :: 122.291 Ave N Shift Values>> N :: 120.65(3.86) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.19 R 0.15 H 0.14 W 0.1 E 0.08 Q 0.07 V 0.01 C Shift Assignments>> C :: 176.922 CA :: 56.139 CB :: 32.121 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 :: 8.771 HA :: 4.621 HB2 :: 2.172 HB3 :: 2.172 HG2 :: 1.379 HG3 :: 1.379 HD2 :: 1.610 HD3 :: 1.610 HE2 :: 3.079 HE3 :: 3.079 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 :: 129.103 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 172.307 CA :: 45.208 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.734 HA2 :: 3.545 HA3 :: 4.137 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.524 Ave N Shift Values>> N :: 109.67(3.87) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 I 0.1 C Shift Assignments>> C :: 174.992 CA :: 57.592 CB :: 35.815 CG2 :: 18.546 CD1 :: 8.457 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 :: 9.016 HA :: 4.780 HB :: 2.086 HG12 :: 1.272 HG13 :: 1.131 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 HD11 :: 0.455 HD12 :: 0.455 HD13 :: 0.455 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 :: 120.479 Ave N Shift Values>> N :: 121.46(4.28) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.85 G 0.14 C Shift Assignments>> C :: 175.689 CA :: 55.444 CB :: 42.810 CD1 :: 133.806 CE1 :: 117.699 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 :: 8.788 HA :: 5.419 HB2 :: 2.473 HB3 :: 2.473 HD1 :: 6.898 HD2 :: 6.898 HE1 :: 6.607 HE2 :: 6.607 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 :: 124.570 Ave N Shift Values>> N :: 120.52(4.2) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.841 CA :: 62.641 CB :: 32.109 CG1 :: 22.548 CG2 :: 21.981 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 :: 8.764 HA :: 4.362 HB :: 2.134 HG11 :: 0.728 HG12 :: 0.728 HG13 :: 0.728 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 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 :: 121.119 Ave N Shift Values>> N :: 121.14(4.54) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.144 CA :: 62.131 CB :: 69.162 CG2 :: 21.221 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 :: 8.654 HA :: 4.399 HB :: 4.478 HG21 :: 1.043 HG22 :: 1.043 HG23 :: 1.043 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 :: 118.563 Ave N Shift Values>> N :: 115.42(4.75) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.24 G 0.15 HN Overlap>> 1.N44 1.A69 1.N44 1.A69 C Shift Assignments>> C :: 175.017 CA :: 56.260 CB :: 34.149 CG :: 27.197 CD :: 43.252 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 :: 7.166 HA :: 4.346 HB2 :: 1.714 HB3 :: 1.646 HG2 :: 1.578 HG3 :: 1.497 HD2 :: 3.105 HD3 :: 3.105 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 :: 119.725 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.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.300 CA :: 62.063 CB :: 34.950 CG1 :: 21.696 CG2 :: 22.037 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 :: 8.469 HA :: 4.316 HB :: 1.831 HG11 :: 0.775 HG12 :: 0.775 HG13 :: 0.775 HG21 :: 0.534 HG22 :: 0.534 HG23 :: 0.534 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 :: 122.993 Ave N Shift Values>> N :: 121.14(4.54) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.357 CA :: 59.246 CB :: 62.928 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.112 HA :: 4.278 HB2 :: 3.875 HB3 :: 3.653 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 :: 122.681 Ave N Shift Values>> N :: 116.28(3.52) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.17 K 0.15 Q 0.08 M 0.02 C Shift Assignments>> C :: 178.129 CA :: 58.275 CB :: 29.090 CG :: 36.193 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 :: 9.447 HA :: 4.163 HB2 :: 1.982 HB3 :: 2.015 HG2 :: 2.359 HG3 :: 2.292 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 :: 131.457 Ave N Shift Values>> N :: 120.67(3.48) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.146 CA :: 45.470 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.619 HA2 :: 4.044 HA3 :: 3.679 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.309 Ave N Shift Values>> N :: 109.67(3.87) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 172.075 CA :: 45.323 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.585 HA2 :: 4.396 HA3 :: 3.885 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.751 Ave N Shift Values>> N :: 109.67(3.87) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> C :: 178.941 CA :: 64.883 CB :: 32.565 CG :: 27.896 CD :: 49.084 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 :: 4.233 HB2 :: 2.550 HB3 :: 2.018 HG2 :: 1.995 HG3 :: 2.073 HD2 :: 3.664 HD3 :: 3.350 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.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.21 L 0.01 C Shift Assignments>> C :: 177.609 CA :: 54.231 CB :: 19.389 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.330 HA :: 4.088 HB1 :: 1.510 HB2 :: 1.510 HB3 :: 1.510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.976 Ave N Shift Values>> N :: 123.23(3.54) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.37 K 0.03 M 0.03 C Shift Assignments>> C :: 181.181 CA :: 59.638 CB :: 30.025 CG :: 37.148 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 :: 8.221 HA :: 3.874 HB2 :: 2.123 HB3 :: 2.063 HG2 :: 2.195 HG3 :: 2.038 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.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V118 1.V118 C Shift Assignments>> C :: 177.365 CA :: 64.314 CB :: 38.095 CG1 :: 28.864 CG2 :: 16.975 CD1 :: 13.227 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 :: 8.032 HA :: 3.739 HB :: 1.796 HG12 :: 1.526 HG13 :: 1.169 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 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 :: 119.497 Ave N Shift Values>> N :: 121.46(4.28) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 L 0.17 M 0.01 HN Overlap>> 1.N44 1.N44 1.R59 1.R59 C Shift Assignments>> C :: 177.401 CA :: 52.807 CB :: 21.222 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.125 HA :: 4.309 HB1 :: 1.464 HB2 :: 1.464 HB3 :: 1.464 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.680 Ave N Shift Values>> N :: 123.23(3.54) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 174.456 CA :: 44.907 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.570 HA2 :: 4.260 HA3 :: 3.679 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.907 Ave N Shift Values>> N :: 109.67(3.87) 1.L71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.66 K 0.16 R 0.13 I 0.03 C Shift Assignments>> C :: 174.486 CA :: 55.195 CB :: 41.364 CG :: 27.019 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 :: 7.747 HA :: 3.769 HB2 :: 1.282 HB3 :: 1.282 HG :: 0.673 HD11 :: -0.289(S) HD12 :: -0.289(S) HD13 :: -0.289(S) HD21 :: -0.289(S) HD22 :: -0.289(S) HD23 :: -0.289(S) 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 :: 123.521 Ave N Shift Values>> N :: 121.86(3.9) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.9 E 0.09 C Shift Assignments>> C :: 175.230 CA :: 54.012 CB :: 31.964 CG :: 33.562 CD :: 180.248 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 :: 8.436 HA :: 4.565 HB2 :: 1.857 HB3 :: 1.857 HG2 :: 2.177 HG3 :: 2.177 HE21 :: 7.280 HE22 :: 6.687 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 :: 123.821 NE2 :: 110.860 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.196 CA :: 63.538 CB :: 38.014 CG1 :: 28.351 CG2 :: 17.977 CD1 :: 13.988 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 :: 8.402 HA :: 3.242 HB :: 1.562 HG12 :: 0.841 HG13 :: 1.404 HG21 :: 0.792 HG22 :: 0.792 HG23 :: 0.792 HD11 :: 0.960 HD12 :: 0.960 HD13 :: 0.960 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 :: 119.852 Ave N Shift Values>> N :: 121.46(4.28) 1.G74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.62 L 0.21 R 0.09 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.551 CA :: 44.655 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.920 HA2 :: 3.846 HA3 :: 2.565(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.672 Ave N Shift Values>> N :: 109.67(3.87) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 F 0.19 Y 0.15 N 0.08 K 0.07 I 0.01 HN Overlap>> 1.D52 1.D52 C Shift Assignments>> C :: 174.754 CA :: 55.718 CB :: 40.626 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 :: 7.615 HA :: 4.445 HB2 :: 2.439 HB3 :: 2.439 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 :: 122.336 Ave N Shift Values>> N :: 120.65(3.86) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 Q 0.27 K 0.19 H 0.06 R 0.05 E 0.03 W 0.03 HN Overlap>> 1.K20 1.K20 1.W83 1.W83 C Shift Assignments>> C :: 176.773 CA :: 54.659 CB :: 33.946 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 :: 8.444 HA :: 4.348 HB2 :: 2.153 HB3 :: 2.153 HG2 :: 1.937 HG3 :: 1.937 HD2 :: 1.740 HD3 :: 1.740 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 :: 123.369 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.R111 1.R111 C Shift Assignments>> C :: 174.243 CA :: 62.219 CB :: 37.871 CG2 :: 19.332 CD1 :: 13.642 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 :: 8.695 HA :: 3.853 HB :: 1.510 HG12 :: 1.153 HG13 :: 1.153 HG21 :: 0.678 HG22 :: 0.678 HG23 :: 0.678 HD11 :: 0.697 HD12 :: 0.697 HD13 :: 0.697 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 :: 125.789 Ave N Shift Values>> N :: 121.46(4.28) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.86 A 0.13 C Shift Assignments>> C :: 177.971 CA :: 55.524 CB :: 32.469 CG :: 31.375 CE :: 16.220 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 :: 9.101 HA :: 4.449 HB2 :: 2.119 HB3 :: 1.648 HG2 :: 2.357 HG3 :: 2.357 HE1 :: 1.908 HE2 :: 1.908 HE3 :: 1.908 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 :: 125.280 Ave N Shift Values>> N :: 120.09(3.57) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 Q 0.26 E 0.2 D 0.05 C Shift Assignments>> C :: 176.886 CA :: 54.880 CB :: 35.022 CG :: 34.353 CD :: 179.161 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 :: 7.628 HA :: 5.237 HB2 :: 1.762 HB3 :: 1.828 HG2 :: 2.080 HG3 :: 2.008 HE21 :: 7.612 HE22 :: 6.701 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 :: 116.831 NE2 :: 111.553 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 K 0.04 HN Overlap>> 1.V12 1.V12 C Shift Assignments>> C :: 174.671 CA :: 60.612 CB :: 34.705 CG2 :: 22.254 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 :: 8.487 HA :: 4.606 HB :: 1.978 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 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 :: 120.584 Ave N Shift Values>> N :: 121.14(4.54) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.83 D 0.1 E 0.04 Q 0.02 C Shift Assignments>> C :: 174.647 CA :: 54.365 CB :: 36.770 CG :: 177.786 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 :: 9.703 HA :: 4.485 HB2 :: 3.265 HB3 :: 3.059 HD21 :: 7.448 HD22 :: 6.813 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 :: 127.611 ND2 :: 111.245 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 173.416 CA :: 45.189 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.443 HA2 :: 3.988 HA3 :: 3.411 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.442 Ave N Shift Values>> N :: 109.67(3.87) 1.W83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.K76 1.K76 C Shift Assignments>> C :: 175.926 CA :: 56.726 CB :: 29.469 CD1 :: 128.059 CE3 :: 120.917 CZ2 :: 114.443 CZ3 :: 121.082 CH2 :: 124.323 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.367 HA :: 4.566 HB2 :: 3.265 HB3 :: 3.218 HD1 :: 7.347 HE1 :: 10.133 HE3 :: 7.556 HZ2 :: 7.418 HZ3 :: 7.051 HH2 :: 7.088 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.318 NE1 :: 129.705 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.23 D 0.18 F 0.11 R 0.08 Y 0.08 N 0.02 C Shift Assignments>> C :: 176.543 CA :: 55.801 CB :: 41.902 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 :: 8.593 HA :: 4.445 HB2 :: 2.672 HB3 :: 2.643 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 :: 125.959 Ave N Shift Values>> N :: 120.65(3.86) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.37 C Shift Assignments>> C :: 176.746 CA :: 54.155 CB :: 33.284 CE :: 18.930 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 :: 8.046 HA :: 4.720 HB2 :: 2.115 HB3 :: 1.639 HG2 :: 2.565 HG3 :: 2.317 HE1 :: 1.958 HE2 :: 1.958 HE3 :: 1.958 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 :: 123.667 Ave N Shift Values>> N :: 120.09(3.57) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.349 CA :: 64.954 CB :: 69.597 CG2 :: 22.089 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 :: 8.510 HA :: 4.195 HB :: 4.165 HG21 :: 1.342 HG22 :: 1.342 HG23 :: 1.342 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 :: 115.987 Ave N Shift Values>> N :: 115.42(4.75) 1.M87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 K 0.11 M 0.04 HN Overlap>> 1.D40 1.D40 C Shift Assignments>> C :: 174.638 CA :: 54.364 CB :: 32.291 CG :: 32.317 CE :: 23.105(S) 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 :: 8.539 HA :: 4.585 HB2 :: 2.104 HB3 :: 1.849 HG2 :: 2.525 HG3 :: 2.418 HE1 :: 2.126 HE2 :: 2.126 HE3 :: 2.126 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 :: 123.127 Ave N Shift Values>> N :: 120.09(3.57) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 A 0.08 I 0.04 C Shift Assignments>> C :: 176.856 CA :: 59.058 CB :: 35.025 CG1 :: 18.861 CG2 :: 22.540 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 :: 7.965 HA :: 4.873 HB :: 2.366 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 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 :: 113.502 Ave N Shift Values>> N :: 121.14(4.54) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.023 CA :: 61.116 CB :: 70.777 CG2 :: 22.138 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 :: 8.506 HA :: 4.381 HB :: 4.097 HG21 :: 1.224 HG22 :: 1.224 HG23 :: 1.224 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 :: 112.612 Ave N Shift Values>> N :: 115.42(4.75) 1.H90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.79 H 0.2 C Shift Assignments>> C :: 177.411 CA :: 61.701 CB :: 29.110 CD2 :: 124.364 CE1 :: 137.237 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 :: 9.989 HA :: 3.864 HB2 :: 3.546 HB3 :: 3.286 HD2 :: 6.868 HE1 :: 7.730 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 :: 122.908 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 F 0.19 L 0.18 Y 0.15 D 0.09 R 0.06 I 0.02 C Shift Assignments>> C :: 178.552 CA :: 57.525 CB :: 41.698 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 :: 9.185 HA :: 4.301 HB2 :: 2.652 HB3 :: 2.410 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 :: 115.990 Ave N Shift Values>> N :: 120.65(3.86) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.59 E 0.4 C Shift Assignments>> C :: 179.313 CA :: 58.899 CB :: 28.859 CG :: 34.801 CD :: 180.317 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 :: 7.808 HA :: 3.791 HB2 :: 2.361 HB3 :: 1.868 HG2 :: 2.380 HG3 :: 2.380 HE21 :: 7.456 HE22 :: 6.883 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 :: 118.454 NE2 :: 111.173 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.41 I 0.03 V 0.01 L 0.01 C Shift Assignments>> C :: 178.754 CA :: 55.280 CB :: 18.986 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.967 HA :: 3.832 HB1 :: 1.269 HB2 :: 1.269 HB3 :: 1.269 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.707 Ave N Shift Values>> N :: 123.23(3.54) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.13 K 0.05 C Shift Assignments>> C :: 180.137 CA :: 59.887 CB :: 29.895 CG :: 27.187 CD :: 43.276 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 :: 8.258 HA :: 3.567 HB2 :: 1.833 HB3 :: 1.676 HG2 :: 1.563 HG3 :: 1.339 HD2 :: 3.182 HD3 :: 3.182 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 :: 117.066 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.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 179.265 CA :: 59.559 CB :: 32.178 CG :: 25.880 CD :: 28.950 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 :: 8.410 HA :: 3.720 HB2 :: 1.755 HB3 :: 1.650 HG2 :: 1.469 HG3 :: 1.258 HD2 :: 1.508 HD3 :: 1.508 HE2 :: 2.831 HE3 :: 2.831 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 :: 120.092 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 K 0.41 L 0.07 G 0.01 C Shift Assignments>> C :: 178.665 CA :: 57.470 CB :: 29.387 CG :: 26.337 CD :: 42.469 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 :: 7.454 HA :: 3.859 HB2 :: 1.707 HB3 :: 1.603 HG2 :: 1.475 HG3 :: 1.355 HD2 :: 2.437 HD3 :: 2.437 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 :: 116.310 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.L97 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 M 0.24 K 0.21 E 0.07 R 0.04 H 0.04 W 0.03 V 0.02 Y 0.01 C Shift Assignments>> C :: 176.330 CA :: 56.818 CB :: 34.197(S) 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 :: 7.602 HA :: 3.999 HB2 :: 2.433 HB3 :: 2.433 HG :: 1.351 HD11 :: 1.025 HD12 :: 1.025 HD13 :: 1.025 HD21 :: 1.025 HD22 :: 1.025 HD23 :: 1.025 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 :: 117.299 Ave N Shift Values>> N :: 121.86(3.9) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.776 CA :: 60.281 CB :: 69.126 CG2 :: 22.632 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 :: 7.185 HA :: 4.541 HB :: 4.253 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 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 :: 103.957 Ave N Shift Values>> N :: 115.42(4.75) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 178.407 CA :: 57.649 CB :: 31.969 CG :: 24.827 CD :: 28.933 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 :: 7.005 HA :: 4.136 HB2 :: 1.766 HB3 :: 1.621 HG2 :: 1.485 HG3 :: 1.293 HD2 :: 1.615 HD3 :: 1.615 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 :: 124.162 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 K 0.1 G 0.09 C Shift Assignments>> C :: 176.110 CA :: 58.488 CB :: 30.058 CG :: 27.514 CD :: 43.228 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 :: 8.693 HA :: 3.902 HB2 :: 1.828 HB3 :: 1.828 HG2 :: 1.713 HG3 :: 1.678 HD2 :: 3.213 HD3 :: 3.213 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 :: 127.484 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.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.046 CA :: 58.167 CB :: 62.969 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.597 HA :: 4.233 HB2 :: 4.064 HB3 :: 3.716 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 :: 109.086 Ave N Shift Values>> N :: 116.28(3.52) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 M 0.29 Q 0.1 K 0.05 C Shift Assignments>> C :: 175.151 CA :: 54.722 CB :: 30.739 CG :: 36.083 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 :: 7.165 HA :: 4.503 HB2 :: 1.748 HB3 :: 1.748 HG2 :: 2.144 HG3 :: 2.076 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 :: 121.519 Ave N Shift Values>> N :: 120.67(3.48) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.69 I 0.14 M 0.09 K 0.04 Q 0.01 C Shift Assignments>> C :: 174.747 CA :: 57.945 CB :: 30.339 CG :: 37.076 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 :: 8.733 HA :: 4.008 HB2 :: 1.931 HB3 :: 1.931 HG2 :: 2.289 HG3 :: 2.145 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 :: 123.304 Ave N Shift Values>> N :: 120.67(3.48) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.446 CA :: 60.205 CB :: 34.629 CG1 :: 21.194 CG2 :: 20.779 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 :: 7.589 HA :: 4.821 HB :: 1.704 HG11 :: 0.481 HG12 :: 0.481 HG13 :: 0.481 HG21 :: 0.508 HG22 :: 0.508 HG23 :: 0.508 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 :: 117.592 Ave N Shift Values>> N :: 121.14(4.54) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.303 CA :: 59.725 CB :: 34.292 CG1 :: 21.267 CG2 :: 22.733 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 :: 8.764 HA :: 4.595 HB :: 1.866 HG11 :: 0.947 HG12 :: 0.947 HG13 :: 0.947 HG21 :: 0.905 HG22 :: 0.905 HG23 :: 0.905 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 :: 121.000 Ave N Shift Values>> N :: 121.14(4.54) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.16 K 0.09 L 0.01 C Shift Assignments>> C :: 175.423 CA :: 55.515 CB :: 29.879 CG :: 28.355 CD :: 43.559 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 :: 8.842 HA :: 4.724 HB2 :: 1.839 HB3 :: 1.792 HG2 :: 1.514 HG3 :: 1.345 HD2 :: 2.898 HD3 :: 2.381 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 :: 126.175 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.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 K 0.3 R 0.09 C Shift Assignments>> C :: 176.451 CA :: 53.338 CB :: 41.631 CG :: 25.912 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 :: 9.447 HA :: 5.247 HB2 :: 1.686 HB3 :: 1.686 HG :: 1.236 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 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 :: 125.682 Ave N Shift Values>> N :: 121.86(3.9) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.06 K 0.03 A 0.01 C Shift Assignments>> C :: 176.295 CA :: 54.777 CB :: 44.285 CG :: 24.282 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 :: 7.906 HA :: 5.037 HB2 :: 1.369 HB3 :: 1.369 HG :: 1.097 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 HD21 :: 0.709 HD22 :: 0.709 HD23 :: 0.709 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 :: 123.684 Ave N Shift Values>> N :: 121.86(3.9) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 V 0.46 C Shift Assignments>> C :: 174.671 CA :: 58.007 CB :: 35.316 CG1 :: 18.316 CG2 :: 21.324 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 :: 9.081 HA :: 5.611 HB :: 1.863 HG11 :: 0.557 HG12 :: 0.557 HG13 :: 0.557 HG21 :: 0.587 HG22 :: 0.587 HG23 :: 0.587 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 :: 119.516 Ave N Shift Values>> N :: 121.14(4.54) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.001 CA :: 60.459 CB :: 70.979 CG2 :: 21.717 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 :: 8.926 HA :: 5.106 HB :: 3.941 HG21 :: 1.072 HG22 :: 1.072 HG23 :: 1.072 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 :: 113.689 Ave N Shift Values>> N :: 115.42(4.75) 1.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 K 0.42 G 0.12 HN Overlap>> 1.I77 1.I77 C Shift Assignments>> C :: 175.195 CA :: 54.677 CB :: 33.352 CG :: 25.826 CD :: 43.189 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 :: 8.732 HA :: 4.767 HB2 :: 1.862 HB3 :: 1.525 HG2 :: 1.503 HG3 :: 1.421 HD2 :: 2.982 HD3 :: 2.928 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 :: 125.719 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.Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.81 E 0.18 C Shift Assignments>> C :: 176.206 CA :: 55.931 CB :: 29.528 CG :: 33.905 CD :: 180.088 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 :: 8.848 HA :: 4.437 HB2 :: 2.039 HB3 :: 1.980 HG2 :: 2.412 HG3 :: 2.362 HE21 :: 7.605 HE22 :: 6.863 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 :: 123.698 NE2 :: 111.936 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.299 CA :: 58.362 CB :: 63.861 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.497 HA :: 4.372 HB2 :: 3.782 HB3 :: 3.782 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 :: 117.066 Ave N Shift Values>> N :: 116.28(3.52) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.03 G 0.02 C Shift Assignments>> C :: 175.995 CA :: 55.191 CB :: 42.341 CG :: 27.057 CD1 :: 24.635 CD2 :: 24.635 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 :: 8.222 HA :: 4.333 HB2 :: 1.572 HB3 :: 1.572 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 124.369 Ave N Shift Values>> N :: 121.86(3.9) 1.Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.36 E 0.09 M 0.07 R 0.04 C Shift Assignments>> C :: 175.897 CA :: 55.995 CB :: 29.328 CG :: 33.838 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 :: 8.300 HA :: 4.223 HB2 :: 2.023 HB3 :: 1.918 HG2 :: 2.298 HG3 :: 2.298 HE21 :: 7.511 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 :: 121.367 NE2 :: 112.635 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.23 G 0.03 C Shift Assignments>> C :: 176.281 CA :: 56.326 CB :: 33.063 CG :: 24.705 CD :: 29.179 CE :: 42.599 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 :: 8.249 HA :: 4.206 HB2 :: 1.756 HB3 :: 1.688 HG2 :: 1.374 HG3 :: 1.374 HD2 :: 1.616 HD3 :: 1.616 HE2 :: 2.926 HE3 :: 2.926 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 :: 122.711 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.11 C Shift Assignments>> C :: 177.840 CA :: 52.548 CB :: 19.121 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.237 HA :: 4.263 HB1 :: 1.313 HB2 :: 1.313 HB3 :: 1.313 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.141 Ave N Shift Values>> N :: 123.23(3.54) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I68 1.I68 C Shift Assignments>> C :: 175.808 CA :: 62.454 CB :: 32.845 CG1 :: 20.981 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 :: 8.052 HA :: 3.992 HB :: 1.998 HG11 :: 0.864 HG12 :: 0.864 HG13 :: 0.864 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 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 :: 119.587 Ave N Shift Values>> N :: 121.14(4.54) 1.Q119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.8 E 0.19 C Shift Assignments>> C :: 174.405 CA :: 56.019 CB :: 29.360 CG :: 33.792 CD :: 180.410 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 :: 8.358 HA :: 4.257 HB2 :: 2.035 HB3 :: 1.967 HG2 :: 2.303 HG3 :: 2.303 HE21 :: 7.468 HE22 :: 6.811 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 :: 124.129 NE2 :: 112.419 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.82 E 0.17 HN Overlap>> 1.M122 1.M122 C Shift Assignments>> C :: 175.928 CA :: 56.204 CB :: 29.475 CG :: 33.779 CD :: 180.187 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 :: 8.422 HA :: 4.262 HB2 :: 2.032 HB3 :: 1.977 HG2 :: 2.329 HG3 :: 2.329 HE21 :: 7.458 HE22 :: 6.778 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 :: 122.016 NE2 :: 112.351 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.038 CA :: 58.585 CB :: 63.750 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.322 HA :: 4.366 HB2 :: 3.820 HB3 :: 3.820 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 :: 116.821 Ave N Shift Values>> N :: 116.28(3.52) 1.M122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 A 0.18 HN Overlap>> 1.Q120 1.Q120 C Shift Assignments>> C :: 175.929 CA :: 55.661 CB :: 32.817 CE :: 16.856 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 :: 8.314 HA :: 4.459 HB2 :: 2.075 HB3 :: 1.977 HG2 :: 2.557 HG3 :: 2.499 HE1 :: 2.040 HE2 :: 2.040 HE3 :: 2.040 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 :: 122.031 Ave N Shift Values>> N :: 120.09(3.57) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.2 D 0.18 R 0.14 F 0.09 Y 0.06 N 0.01 C Shift Assignments>> C :: 176.122 CA :: 55.438 CB :: 42.249 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 :: 8.128 HA :: 4.357 HB2 :: 1.586 HB3 :: 1.586 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 123.409 Ave N Shift Values>> N :: 121.86(3.9) 1.S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 178.548 CA :: 59.900 CB :: 64.869 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.801 HA :: 4.192 HB2 :: 3.774 HB3 :: 3.774 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 :: 122.045 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 118 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 122 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 124 #Suspicious: 0 C Shift Results: #Consistent: 499 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 869 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 131 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 Typing: Suspicious 1.M1 CE = 24.553(S), Expected = 17.07, Std = 1.5800, ChiSquare = 2.1790e-06 1.G35 HA2 = 5.269(S), Expected = 3.97, Std = 0.3700, ChiSquare = 4.4674e-04 1.L71 HD11 = -0.289(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.0668e-04 1.L71 HD12 = -0.289(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.0668e-04 1.L71 HD13 = -0.289(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.0668e-04 1.L71 HD21 = -0.289(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4176e-04 1.L71 HD22 = -0.289(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4176e-04 1.L71 HD23 = -0.289(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4176e-04 1.G74 HA3 = 2.565(S), Expected = 3.90, Std = 0.3700, ChiSquare = 3.0844e-04 1.M87 CE = 23.105(S), Expected = 17.07, Std = 1.5800, ChiSquare = 1.3366e-04 1.L97 Typing: Mistyped 1.L97 CB = 34.197(S), Expected = 42.31, Std = 1.8800, ChiSquare = 1.5930e-05