Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.33 Q 0.16 K 0.02 C Shift Assignments>> CA :: 55.477 CB :: 32.802 CG :: 31.952 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 :: 8.393 HA :: 4.335 HB2 :: 1.898 HB3 :: 1.898 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 :: 122.287 Ave N Shift Values>> N :: 120.09(3.57) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.28 R 0.02 A 0.01 C Shift Assignments>> CA :: 55.213 CB :: 42.077 CG :: 26.866 CD1 :: 24.792 CD2 :: 23.639 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 :: 8.322 HA :: 4.243 HB2 :: 1.501 HB3 :: 1.501 HG :: 1.444 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 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 :: 124.588 Ave N Shift Values>> N :: 121.86(3.9) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.14 H 0.12 M 0.12 W 0.12 K 0.11 E 0.11 Q 0.07 V 0.02 C Shift Assignments>> C :: 178.074 CA :: 57.203 CB :: 31.442 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 :: 7.800 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 :: 126.774 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.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 61.666 CB :: 69.502 CG2 :: 21.565 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>> HA :: 4.290 HB :: 4.076 HG21 :: 1.083 HG22 :: 1.083 HG23 :: 1.083 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) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> CA :: 52.678 CB :: 19.030 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.243 HA :: 4.248 HB1 :: 1.306 HB2 :: 1.306 HB3 :: 1.306 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.815 Ave N Shift Values>> N :: 123.23(3.54) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 171.734 CA :: 45.534 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.474 HA2 :: 3.839 HA3 :: 3.839 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.723 Ave N Shift Values>> N :: 109.67(3.87) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.39 G 0.05 K 0.05 C Shift Assignments>> C :: 173.663 CA :: 56.366 CB :: 30.323 CG :: 27.096 CD :: 43.229 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 :: 8.153 HA :: 4.230 HB2 :: 1.764 HB3 :: 1.647 HG2 :: 1.495 HG3 :: 1.495 HD2 :: 3.051 HD3 :: 3.051 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 :: 120.646 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.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 F 0.11 N 0.1 Y 0.09 K 0.09 C 0.06 C Shift Assignments>> C :: 174.136 CA :: 54.752 CB :: 40.924 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 :: 8.235 HA :: 4.360 HB2 :: 2.615 HB3 :: 2.584 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 :: 120.753 Ave N Shift Values>> N :: 120.65(3.86) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 172.774 CA :: 46.456 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.320 HA2 :: 3.772 HA3 :: 3.622 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.394 Ave N Shift Values>> N :: 109.67(3.87) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.35 C Shift Assignments>> C :: 175.568 CA :: 58.209 CB :: 41.616 CG :: 24.421 CD1 :: 25.253 CD2 :: 24.100 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 :: 7.966 HA :: 3.868 HB2 :: 1.741 HB3 :: 1.454 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 0.783 HD22 :: 0.783 HD23 :: 0.783 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 :: 123.328 Ave N Shift Values>> N :: 121.86(3.9) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 P 0.32 C 0.17 R 0.03 W 0.02 K 0.01 C Shift Assignments>> C :: 174.448 CA :: 62.127 CB :: 26.405 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.345 HA :: 4.006 HB2 :: 2.850 HB3 :: 2.850 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 :: 119.000 Ave N Shift Values>> N :: 120.17(4.64) 1.R14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 R 0.37 K 0.11 G 0.04 HN Overlap>> 1.K85 1.K85 C Shift Assignments>> C :: 174.818 CA :: 59.592 CB :: 29.862 CG :: 26.405 CD :: 42.999 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 :: 8.187 HA :: 3.982 HB2 :: 1.563 HB3 :: 1.449 HG2 :: 1.008 HG3 :: 1.008 HD2 :: 2.345 HD3 :: 2.170(S) 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 :: 122.119 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.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.35 R 0.16 C Shift Assignments>> C :: 175.741 CA :: 58.670 CB :: 42.077 CG :: 27.557 CD1 :: 26.635 CD2 :: 23.639 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 :: 7.970 HA :: 4.211 HB2 :: 1.764 HB3 :: 1.764 HG :: 1.595 HD11 :: 0.929 HD12 :: 0.929 HD13 :: 0.929 HD21 :: 0.908 HD22 :: 0.908 HD23 :: 0.908 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 :: 118.344 Ave N Shift Values>> N :: 121.86(3.9) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 T 0.23 P 0.2 I 0.18 C 0.04 F 0.01 Y 0.01 S 0.01 W 0.01 C Shift Assignments>> CA :: 62.787 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.463 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 :: 113.320 Ave N Shift Values>> N :: 116.28(3.52) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.K31 1.K31 C Shift Assignments>> C :: 174.159 CA :: 66.967 CB :: 68.811 CG2 :: 21.335 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 :: 7.998 HA :: 3.893 HB :: 4.372 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 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 :: 116.820 Ave N Shift Values>> N :: 115.42(4.75) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.16 Y 0.09 F 0.08 C Shift Assignments>> C :: 175.360 CA :: 63.049 CB :: 38.389 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 :: 8.029 HA :: 3.848 HB2 :: 3.364 HB3 :: 2.781 HD1 :: 7.304 HD2 :: 7.304 HE1 :: 6.876 HE2 :: 6.876 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 :: 120.971 Ave N Shift Values>> N :: 120.52(4.2) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.41 R 0.02 C Shift Assignments>> C :: 177.277 CA :: 57.748 CB :: 41.385 CG :: 26.635 CD1 :: 25.713 CD2 :: 22.717 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 :: 8.119 HA :: 3.874 HB2 :: 1.913 HB3 :: 0.921 HG :: 1.763 HD11 :: 0.636 HD12 :: 0.636 HD13 :: 0.636 HD21 :: 0.092 HD22 :: 0.092 HD23 :: 0.092 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 :: 115.742 Ave N Shift Values>> N :: 121.86(3.9) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.37 I 0.13 K 0.03 M 0.02 Q 0.01 C Shift Assignments>> C :: 174.021 CA :: 58.440 CB :: 29.862 CG :: 37.006 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 :: 8.219 HA :: 3.878 HB2 :: 2.143 HB3 :: 2.009 HG2 :: 2.419 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 :: 119.710 Ave N Shift Values>> N :: 120.67(3.48) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.33 K 0.09 Q 0.07 M 0.06 I 0.04 C Shift Assignments>> C :: 175.164 CA :: 57.122 CB :: 29.855 CG :: 36.090 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 :: 7.211 HA :: 4.046 HB2 :: 2.037 HB3 :: 2.037 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 :: 115.622 Ave N Shift Values>> N :: 120.67(3.48) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.27 A 0.03 C Shift Assignments>> C :: 175.730 CA :: 54.533 CB :: 40.694 CG :: 26.405 CD1 :: 26.405 CD2 :: 23.409 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 :: 7.014 HA :: 4.210 HB2 :: 1.849 HB3 :: 1.387 HG :: 1.722 HD11 :: 0.639 HD12 :: 0.639 HD13 :: 0.639 HD21 :: 0.632 HD22 :: 0.632 HD23 :: 0.632 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 :: 117.476 Ave N Shift Values>> N :: 121.86(3.9) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.31 M 0.12 Q 0.07 K 0.06 I 0.01 C Shift Assignments>> C :: 174.991 CA :: 55.674 CB :: 30.323 CG :: 36.084 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 :: 8.779 HA :: 4.309 HB2 :: 2.333 HB3 :: 1.489 HG2 :: 2.359 HG3 :: 2.295 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 :: 122.834 Ave N Shift Values>> N :: 120.67(3.48) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 I 0.15 A 0.1 C 0.03 C Shift Assignments>> C :: 179.229 CA :: 56.827 CB :: 17.647 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.112 HA :: 4.030 HB1 :: 1.447 HB2 :: 1.447 HB3 :: 1.447 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.076 Ave N Shift Values>> N :: 123.23(3.54) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 175.025 CA :: 65.123 CB :: 31.245 CG1 :: 21.565 CG2 :: 21.104 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 :: 8.751 HA :: 3.926 HB :: 2.147 HG11 :: 1.007 HG12 :: 1.007 HG13 :: 1.007 HG21 :: 0.961 HG22 :: 0.961 HG23 :: 0.961 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 :: 115.684 Ave N Shift Values>> N :: 121.14(4.54) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.07 K 0.05 Q 0.05 I 0.05 C Shift Assignments>> C :: 175.499 CA :: 58.209 CB :: 30.323 CG :: 36.084 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 :: 6.833 HA :: 3.968 HB2 :: 2.553 HB3 :: 1.900 HG2 :: 2.299 HG3 :: 2.299 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 :: 120.489 Ave N Shift Values>> N :: 120.67(3.48) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.47 C Shift Assignments>> C :: 175.730 CA :: 57.748 CB :: 40.002 CG :: 27.557 CD1 :: 25.253 CD2 :: 23.178 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 :: 8.535 HA :: 4.095 HB2 :: 1.983 HB3 :: 1.389 HG :: 1.569 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 HD21 :: 0.736 HD22 :: 0.736 HD23 :: 0.736 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 :: 121.586 Ave N Shift Values>> N :: 121.86(3.9) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.33 R 0.14 G 0.02 C Shift Assignments>> C :: 175.972 CA :: 60.514 CB :: 31.936 CG :: 25.483 CD :: 29.631 CE :: 42.538 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 :: 7.619 HA :: 4.070 HB2 :: 2.030 HB3 :: 1.921 HG2 :: 1.593 HG3 :: 1.441 HD2 :: 1.733 HD3 :: 1.733 HE2 :: 2.938 HE3 :: 2.938 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 :: 118.964 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.33 R 0.16 HN Overlap>> 1.Q92 1.Q92 C Shift Assignments>> C :: 175.545 CA :: 60.284 CB :: 32.858 CG :: 25.944 CD :: 29.862 CE :: 42.077 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 :: 7.806 HA :: 3.936 HB2 :: 1.984 HB3 :: 1.788 HG2 :: 1.709 HG3 :: 1.401 HD2 :: 1.625 HD3 :: 1.625 HE2 :: 2.835 HE3 :: 2.835 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 :: 118.804 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 F 0.22 Y 0.21 C 0.15 C Shift Assignments>> C :: 173.339 CA :: 61.205 CB :: 39.772 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 :: 8.867 HA :: 3.798 HB2 :: 3.740 HB3 :: 3.067 HD1 :: 6.947 HD2 :: 6.947 HE1 :: 6.707 HE2 :: 6.707 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 :: 121.849 Ave N Shift Values>> N :: 120.45(4.18) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 V 0.19 K 0.1 Q 0.09 M 0.07 E 0.05 I 0.03 W 0.02 R 0.02 H 0.01 Y 0.01 HN Overlap>> 1.T17 1.T17 C Shift Assignments>> C :: 175.938 CA :: 60.053 CB :: 34.241 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 :: 8.082 HA :: 3.851 HB2 :: 2.332 HB3 :: 2.262 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 :: 116.874 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.38 C Shift Assignments>> C :: 177.485 CA :: 57.979 CB :: 41.846 CG :: 26.174 CD1 :: 24.331 CD2 :: 23.870 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 :: 8.286 HA :: 3.981 HB2 :: 1.728 HB3 :: 1.452 HG :: 1.596 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.522 HD22 :: 0.522 HD23 :: 0.522 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 :: 118.603 Ave N Shift Values>> N :: 121.86(3.9) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.23 Y 0.15 F 0.1 E 0.03 V 0.01 HN Overlap>> 1.A71 1.A71 C Shift Assignments>> C :: 175.256 CA :: 61.436 CB :: 37.467 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 :: 8.259 HA :: 3.995 HB2 :: 2.794 HB3 :: 2.745 HD1 :: 6.906 HD2 :: 6.906 HE1 :: 6.577 HE2 :: 6.577 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 :: 119.888 Ave N Shift Values>> N :: 120.52(4.2) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.38 R 0.05 C Shift Assignments>> C :: 175.684 CA :: 57.057 CB :: 41.616 CG :: 26.635 CD1 :: 26.635 CD2 :: 23.870 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 :: 7.600 HA :: 3.763 HB2 :: 1.618 HB3 :: 1.237 HG :: 1.502 HD11 :: 0.500 HD12 :: 0.500 HD13 :: 0.500 HD21 :: 0.493 HD22 :: 0.493 HD23 :: 0.493 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 :: 119.611 Ave N Shift Values>> N :: 121.86(3.9) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.190 CA :: 45.764 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.052 HA2 :: 4.134 HA3 :: 3.588 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.691 Ave N Shift Values>> N :: 109.67(3.87) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.127 CA :: 62.127 CB :: 70.655 CG2 :: 21.335 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 :: 7.412 HA :: 4.306 HB :: 4.099 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 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 :: 110.038 Ave N Shift Values>> N :: 115.42(4.75) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.01 C Shift Assignments>> C :: 175.741 CA :: 53.139 CB :: 18.569 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.761 HA :: 4.102 HB1 :: 1.002 HB2 :: 1.002 HB3 :: 1.002 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.678 Ave N Shift Values>> N :: 123.23(3.54) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.363 CA :: 63.049 CB :: 69.502 CG2 :: 21.796 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 :: 8.030 HA :: 4.103 HB :: 4.139 HG21 :: 1.077 HG22 :: 1.077 HG23 :: 1.077 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 :: 114.566 Ave N Shift Values>> N :: 115.42(4.75) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.31 K 0.14 Q 0.1 I 0.07 M 0.01 C Shift Assignments>> C :: 173.975 CA :: 57.748 CB :: 28.940 CG :: 35.854 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 :: 8.837 HA :: 4.098 HB2 :: 1.898 HB3 :: 1.898 HG2 :: 2.125 HG3 :: 2.125 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 :: 121.121 Ave N Shift Values>> N :: 120.67(3.48) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.27 R 0.1 A 0.03 C Shift Assignments>> C :: 175.279 CA :: 55.213 CB :: 42.077 CG :: 27.327 CD1 :: 25.944 CD2 :: 22.948 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 :: 7.691 HA :: 4.174 HB2 :: 1.547 HB3 :: 1.405 HG :: 1.428 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 HD21 :: 0.651 HD22 :: 0.651 HD23 :: 0.651 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 :: 119.438 Ave N Shift Values>> N :: 121.86(3.9) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 171.965 CA :: 45.764 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.918 HA2 :: 3.845 HA3 :: 3.845 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.372 Ave N Shift Values>> N :: 109.67(3.87) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 K 0.1 Q 0.06 I 0.05 M 0.03 C Shift Assignments>> C :: 174.159 CA :: 56.827 CB :: 29.401 CG :: 36.315 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 :: 8.506 HA :: 4.160 HB2 :: 2.039 HB3 :: 1.836 HG2 :: 2.178 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 :: 121.744 Ave N Shift Values>> N :: 120.67(3.48) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 170.938 CA :: 45.534 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.368 HA2 :: 3.956 HA3 :: 3.706 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.939 Ave N Shift Values>> N :: 109.67(3.87) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.42 R 0.08 C Shift Assignments>> C :: 173.351 CA :: 56.596 CB :: 33.319 CG :: 24.561 CD :: 28.940 CE :: 41.846 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 :: 7.464 HA :: 4.117 HB2 :: 1.584 HB3 :: 1.584 HG2 :: 1.281 HG3 :: 1.211 HD2 :: 1.459 HD3 :: 1.459 HE2 :: 2.811 HE3 :: 2.811 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 :: 118.892 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 171.249 CA :: 58.440 CB :: 39.311 CG1 :: 27.327 CG2 :: 16.956 CD1 :: 13.268 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 :: 7.990 HA :: 3.825 HB :: 1.425 HG12 :: 1.230 HG13 :: 0.181 HG21 :: 0.546 HG22 :: 0.546 HG23 :: 0.546 HD11 :: 0.523 HD12 :: 0.523 HD13 :: 0.523 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 :: 122.530 Ave N Shift Values>> N :: 121.46(4.28) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 175.637 CA :: 62.819 CB :: 31.936 CG :: 27.557 CD :: 51.065 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 :: 4.328 HB2 :: 2.250 HB3 :: 1.862 HG2 :: 1.971 HG3 :: 1.867 HD2 :: 3.735 HD3 :: 3.326 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.W47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 I 0.16 W 0.16 E 0.09 K 0.08 H 0.07 R 0.06 Q 0.06 V 0.03 M 0.01 C Shift Assignments>> C :: 175.648 CA :: 60.284 CB :: 29.285 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 :: 8.854 HA :: 4.179 HB2 :: 3.322 HB3 :: 3.073 HD1 :: 7.157 HE1 :: 9.992 HE3 :: 7.486 HZ2 :: 7.450 HZ3 :: 6.908 HH2 :: 7.098 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 :: 126.390 NE1 :: 128.740 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G48 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 :: 173.467 CA :: 46.686 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.985 HA2 :: 3.781 HA3 :: 3.617 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.784 Ave N Shift Values>> N :: 109.67(3.87) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.284 CB :: 63.049 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.348 HA :: 4.257 HB2 :: 3.752 HB3 :: 3.752 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 :: 114.081 Ave N Shift Values>> N :: 116.28(3.52) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 C 0.31 E 0.2 Q 0.14 K 0.01 C Shift Assignments>> C :: 174.610 CA :: 56.366 CB :: 34.932 CG :: 31.706 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 :: 7.360 HA :: 4.102 HB2 :: 1.755 HB3 :: 1.602 HG2 :: 2.136 HG3 :: 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) N Shift Assignments>> N :: 116.490 Ave N Shift Values>> N :: 120.09(3.57) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.24 I 0.2 K 0.07 Q 0.05 M 0.01 C Shift Assignments>> C :: 174.933 CA :: 60.744 CB :: 29.401 CG :: 35.624 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 :: 7.630 HA :: 3.026 HB2 :: 1.523 HB3 :: 1.336 HG2 :: 2.079 HG3 :: 1.888 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 :: 121.738 Ave N Shift Values>> N :: 120.67(3.48) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.33 R 0.17 C Shift Assignments>> C :: 173.455 CA :: 55.444 CB :: 31.936 CG :: 25.253 CD :: 28.940 CE :: 42.077 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 :: 8.164 HA :: 4.221 HB2 :: 1.862 HB3 :: 1.484 HG2 :: 1.235 HG3 :: 1.235 HD2 :: 1.519 HD3 :: 1.519 HE2 :: 2.837 HE3 :: 2.837 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 :: 114.954 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.09 C 0.02 L 0.01 C Shift Assignments>> C :: 175.684 CA :: 52.909 CB :: 19.491 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.898 HA :: 4.018 HB1 :: 1.201 HB2 :: 1.201 HB3 :: 1.201 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.398 Ave N Shift Values>> N :: 123.23(3.54) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.29 G 0.21 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 179.598 CA :: 43.920 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.487 HA2 :: 4.338 HA3 :: 3.861 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.222 Ave N Shift Values>> N :: 109.67(3.87) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.32 G 0.1 C Shift Assignments>> C :: 174.298 CA :: 66.967 CB :: 32.397 CG :: 28.018 CD :: 48.760 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 :: 3.712 HB2 :: 2.059 HB3 :: 1.934 HG2 :: 2.148 HG3 :: 1.664 HD2 :: 3.733 HD3 :: 3.441 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.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.48 C Shift Assignments>> C :: 176.266 CA :: 58.440 CB :: 40.924 CG :: 27.557 CD1 :: 25.253 CD2 :: 23.409 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 :: 8.131 HA :: 4.004 HB2 :: 1.543 HB3 :: 1.543 HG :: 1.478 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.837 HD22 :: 0.837 HD23 :: 0.837 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 :: 118.125 Ave N Shift Values>> N :: 121.86(3.9) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.28 I 0.27 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.116 CA :: 59.823 CB :: 29.170 CG :: 36.776 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 :: 7.910 HA :: 3.921 HB2 :: 2.003 HB3 :: 1.812 HG2 :: 2.285 HG3 :: 2.179 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 :: 118.898 Ave N Shift Values>> N :: 120.67(3.48) 1.M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.33 Q 0.21 K 0.08 HN Overlap>> 1.E89 1.E89 C Shift Assignments>> C :: 174.864 CA :: 55.905 CB :: 31.245 CG :: 32.627 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 :: 8.969 HA :: 4.305 HB2 :: 2.024 HB3 :: 1.770 HG2 :: 2.476 HG3 :: 2.138 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 :: 118.180 Ave N Shift Values>> N :: 120.09(3.57) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.37 I 0.05 C 0.05 V 0.01 C Shift Assignments>> C :: 178.407 CA :: 55.790 CB :: 18.799 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.137 HA :: 3.799 HB1 :: 1.437 HB2 :: 1.437 HB3 :: 1.437 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.286 Ave N Shift Values>> N :: 123.23(3.54) 1.Q60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 Q 0.24 K 0.24 E 0.07 R 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 175.995 CA :: 58.901 CB :: 28.479 CG :: 34.010 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 :: 7.994 HA :: 3.843 HB2 :: 2.117 HB3 :: 1.995 HG2 :: 2.335 HG3 :: 2.264 HE21 :: 5.944 HE22 :: 5.511(S) 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 :: 115.648 NE2 :: 110.472 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.41 R 0.06 G 0.02 C Shift Assignments>> C :: 176.667 CA :: 58.440 CB :: 42.538 CG :: 27.096 CD1 :: 24.561 CD2 :: 25.253 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 :: 8.438 HA :: 4.037 HB2 :: 1.898 HB3 :: 1.475 HG :: 1.655 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 HD21 :: 0.701 HD22 :: 0.701 HD23 :: 0.701 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 :: 121.919 Ave N Shift Values>> N :: 121.86(3.9) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.28 R 0.23 G 0.02 C Shift Assignments>> C :: 176.111 CA :: 58.670 CB :: 42.538 CG :: 28.249 CD1 :: 25.944 CD2 :: 23.870 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 :: 8.340 HA :: 4.047 HB2 :: 2.094 HB3 :: 1.429 HG :: 1.959 HD11 :: 0.952 HD12 :: 0.952 HD13 :: 0.952 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 0.924 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 :: 118.271 Ave N Shift Values>> N :: 121.86(3.9) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 176.688 CA :: 65.584 CB :: 37.698 CG1 :: 30.553 CG2 :: 17.417 CD1 :: 13.268 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 :: 8.060 HA :: 3.308 HB :: 1.777 HG12 :: 1.648 HG13 :: 0.807 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 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 :: 119.557 Ave N Shift Values>> N :: 121.46(4.28) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 172.889 CA :: 66.737 CB :: 68.811 CG2 :: 21.335 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 :: 8.772 HA :: 3.750 HB :: 4.128 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 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 :: 118.348 Ave N Shift Values>> N :: 115.42(4.75) 1.H65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 E 0.12 R 0.1 H 0.09 I 0.07 Q 0.07 K 0.06 V 0.05 M 0.02 C Shift Assignments>> C :: 173.836 CA :: 59.823 CB :: 30.092 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 :: 8.002 HA :: 3.951 HB2 :: 2.548 HB3 :: 2.095 HD2 :: 6.345 HE1 :: 7.446 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 :: 117.026 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.25 C 0.12 I 0.09 L 0.08 K 0.08 D 0.05 C Shift Assignments>> C :: 174.367 CA :: 58.440 CB :: 40.694 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 :: 8.241 HA :: 4.745 HB2 :: 3.145 HB3 :: 2.770 HD1 :: 7.443 HD2 :: 7.443 HE1 :: 7.205 HE2 :: 7.205 HZ :: 7.171 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 :: 113.027 Ave N Shift Values>> N :: 120.45(4.18) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.25 R 0.15 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 179.737 CA :: 44.381 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.885 HA2 :: 4.530 HA3 :: 4.094 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.585 Ave N Shift Values>> N :: 109.67(3.87) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 176.273 CA :: 66.506 CB :: 31.936 CG :: 28.018 CD :: 49.452 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 :: 4.095 HB2 :: 2.276 HB3 :: 1.980 HG2 :: 2.184 HG3 :: 1.984 HD2 :: 3.828 HD3 :: 3.609 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.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.32 E 0.24 K 0.03 C Shift Assignments>> C :: 176.711 CA :: 60.284 CB :: 29.170 CG :: 36.776 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 :: 8.291 HA :: 4.104 HB2 :: 2.014 HB3 :: 2.014 HG2 :: 2.277 HG3 :: 2.277 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 :: 118.773 Ave N Shift Values>> N :: 120.67(3.48) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.27 K 0.17 Q 0.16 I 0.05 R 0.01 M 0.01 C Shift Assignments>> C :: 178.280 CA :: 57.748 CB :: 28.710 CG :: 35.393 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 :: 9.061 HA :: 4.245 HB2 :: 2.087 HB3 :: 1.935 HG2 :: 2.341 HG3 :: 2.114 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 :: 121.413 Ave N Shift Values>> N :: 120.67(3.48) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 M 0.3 C 0.1 V 0.05 L 0.04 I 0.03 T 0.01 HN Overlap>> 1.Y33 1.Y33 C Shift Assignments>> C :: 175.764 CA :: 55.905 CB :: 19.721 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.318 HA :: 3.664 HB1 :: 1.373 HB2 :: 1.373 HB3 :: 1.373 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.906 Ave N Shift Values>> N :: 123.23(3.54) 1.W72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.17 E 0.14 R 0.11 H 0.1 Q 0.08 K 0.07 I 0.04 M 0.03 V 0.03 C Shift Assignments>> C :: 173.443 CA :: 59.131 CB :: 30.092 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 :: 7.177 HA :: 4.431 HB2 :: 3.227 HB3 :: 3.227 HD1 :: 7.189 HE1 :: 10.224 HE3 :: 7.288 HZ2 :: 7.208 HZ3 :: 6.258 HH2 :: 5.751 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 :: 115.396 NE1 :: 129.615 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.41 K 0.06 G 0.03 C Shift Assignments>> C :: 177.231 CA :: 60.053 CB :: 30.092 CG :: 27.327 CD :: 42.768 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 :: 7.651 HA :: 3.467 HB2 :: 1.743 HB3 :: 1.719 HG2 :: 1.658 HG3 :: 1.416 HD2 :: 3.171 HD3 :: 3.016 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 :: 117.367 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.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.37 C Shift Assignments>> C :: 177.312 CA :: 57.057 CB :: 41.846 CG :: 26.866 CD1 :: 24.331 CD2 :: 23.409 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 :: 8.551 HA :: 3.750 HB2 :: 1.341 HB3 :: 1.063 HG :: 1.072 HD11 :: 0.197 HD12 :: 0.197 HD13 :: 0.197 HD21 :: 0.123 HD22 :: 0.123 HD23 :: 0.123 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 :: 119.554 Ave N Shift Values>> N :: 121.86(3.9) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.26 I 0.06 C 0.02 C Shift Assignments>> C :: 174.644 CA :: 55.674 CB :: 17.878 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.273 HA :: 3.484 HB1 :: 1.073 HB2 :: 1.073 HB3 :: 1.073 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.916 Ave N Shift Values>> N :: 123.23(3.54) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.4 C Shift Assignments>> C :: 176.550 CA :: 58.209 CB :: 40.924 CG :: 25.483 CD1 :: 22.487 CD2 :: 24.792 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 :: 7.807 HA :: 3.565 HB2 :: 1.253 HB3 :: 1.076 HG :: 0.709 HD11 :: 0.176 HD12 :: 0.176 HD13 :: 0.176 HD21 :: 0.134 HD22 :: 0.134 HD23 :: 0.134 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 :: 114.522 Ave N Shift Values>> N :: 121.86(3.9) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.975 CB :: 62.588 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.666 HA :: 4.130 HB2 :: 3.762 HB3 :: 3.762 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 :: 111.677 Ave N Shift Values>> N :: 116.28(3.52) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 HN Overlap>> 1.R90 1.R90 C Shift Assignments>> CA :: 67.198 CB :: 67.198 CG2 :: 22.948 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 :: 7.796 HA :: 3.338 HB :: 3.681 HG21 :: 0.527 HG22 :: 0.527 HG23 :: 0.527 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 :: 119.545 Ave N Shift Values>> N :: 115.42(4.75) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.26 Y 0.14 I 0.08 F 0.08 M 0.06 K 0.03 V 0.01 Q 0.01 C Shift Assignments>> C :: 175.233 CA :: 58.209 CB :: 36.545 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 :: 8.425 HA :: 4.515 HB2 :: 3.506 HB3 :: 3.311 HD1 :: 7.016 HD2 :: 7.016 HE1 :: 6.915 HE2 :: 6.915 HZ :: 6.798 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 :: 120.964 Ave N Shift Values>> N :: 120.45(4.18) 1.E80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 I 0.26 E 0.26 K 0.06 Q 0.03 C Shift Assignments>> C :: 176.042 CA :: 60.284 CB :: 28.940 CG :: 36.084 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 :: 7.345 HA :: 3.418 HB2 :: 1.801 HB3 :: 1.336 HG2 :: 1.483(S) HG3 :: 1.483(S) 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 :: 116.928 Ave N Shift Values>> N :: 120.67(3.48) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.42 K 0.11 G 0.03 C Shift Assignments>> C :: 175.256 CA :: 57.979 CB :: 30.323 CG :: 26.405 CD :: 42.999 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 :: 7.285 HA :: 3.897 HB2 :: 1.495 HB3 :: 1.495 HG2 :: 1.393 HG3 :: 1.393 HD2 :: 2.739 HD3 :: 2.739 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 :: 118.501 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.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.46 C Shift Assignments>> C :: 171.919 CA :: 60.744 CB :: 37.237 CG1 :: 26.174 CG2 :: 16.956 CD1 :: 16.264 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 :: 7.571 HA :: 4.432 HB :: 2.179 HG12 :: 1.701 HG13 :: 1.421 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 HD11 :: 1.051 HD12 :: 1.051 HD13 :: 1.051 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 :: 110.431 Ave N Shift Values>> N :: 121.46(4.28) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 N 0.21 E 0.2 Y 0.1 M 0.1 F 0.06 K 0.02 D 0.02 I 0.01 C Shift Assignments>> C :: 172.381 CA :: 54.752 CB :: 36.776 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 :: 7.725 HA :: 4.280 HB2 :: 3.255 HB3 :: 2.709 HD21 :: 7.533 HD22 :: 6.788 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 :: 114.634 ND2 :: 112.068 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R84 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.32 A 0.06 C Shift Assignments>> C :: 174.333 CA :: 51.065 CB :: 26.405 CG :: 24.100 CD :: 39.081(S) 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 :: 8.248 HA :: 4.780 HB2 :: 1.750 HB3 :: 1.477 HG2 :: 1.357 HG3 :: 1.162 HD2 :: 3.723 HD3 :: 3.237 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 :: 118.456 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.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.31 R 0.19 HN Overlap>> 1.R14 1.R14 C Shift Assignments>> CA :: 59.131 CB :: 32.167 CG :: 26.635 CD :: 29.170 CE :: 41.846 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 :: 8.269 HA :: 3.883 HB2 :: 1.946 HB3 :: 1.859 HG2 :: 1.450 HG3 :: 1.450 HD2 :: 1.550 HD3 :: 1.550 HE2 :: 2.792 HE3 :: 2.711 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 :: 122.179 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.21 C 0.18 N 0.11 D 0.07 I 0.05 E 0.05 L 0.03 M 0.01 C Shift Assignments>> CA :: 56.366 CB :: 38.389 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 :: 9.040 HA :: 4.280 HB2 :: 2.757 HB3 :: 2.422 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 :: 117.207 Ave N Shift Values>> N :: 120.65(3.86) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.43 A 0.05 R 0.01 C Shift Assignments>> C :: 176.042 CA :: 57.057 CB :: 41.616 CG :: 26.174 CD1 :: 25.253 CD2 :: 21.335 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 :: 7.287 HA :: 4.002 HB2 :: 1.388 HB3 :: 0.829 HG :: 1.323 HD11 :: 0.066 HD12 :: 0.066 HD13 :: 0.066 HD21 :: 0.313 HD22 :: 0.313 HD23 :: 0.313 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 :: 121.200 Ave N Shift Values>> N :: 121.86(3.9) 1.W88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.22 W 0.11 P 0.08 V 0.05 K 0.03 E 0.03 H 0.02 R 0.02 Q 0.02 C Shift Assignments>> C :: 174.517 CA :: 61.897 CB :: 28.940 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 :: 7.436 HA :: 4.175 HB2 :: 3.589 HB3 :: 3.145 HD1 :: 7.278 HE1 :: 10.108 HE3 :: 7.545 HZ2 :: 7.329 HZ3 :: 7.112 HH2 :: 7.109 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 :: 119.986 NE1 :: 130.819 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.32 I 0.21 K 0.05 Q 0.01 M 0.01 HN Overlap>> 1.M58 1.M58 C Shift Assignments>> C :: 176.688 CA :: 59.592 CB :: 29.401 CG :: 36.545 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 :: 8.874 HA :: 3.457 HB2 :: 2.157 HB3 :: 1.969 HG2 :: 2.475 HG3 :: 2.250 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 :: 118.238 Ave N Shift Values>> N :: 120.67(3.48) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.29 G 0.2 HN Overlap>> 1.T78 1.T78 C Shift Assignments>> C :: 176.735 CA :: 59.592 CB :: 31.245 CG :: 26.635 CD :: 44.151 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 :: 7.795 HA :: 3.822 HB2 :: 2.027 HB3 :: 1.849 HG2 :: 1.779 HG3 :: 1.737 HD2 :: 2.998 HD3 :: 2.829 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 :: 119.545 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.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 173.582 CA :: 46.916 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.577 HA2 :: 4.167 HA3 :: 3.590 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.410 Ave N Shift Values>> N :: 109.67(3.87) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.28 Q 0.2 R 0.14 M 0.05 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> C :: 174.968 CA :: 57.518 CB :: 28.479 CG :: 32.627 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 :: 7.747 HA :: 3.786 HB2 :: 1.712 HB3 :: 1.570 HG2 :: 1.618 HG3 :: 1.355 HE21 :: 7.129 HE22 :: 6.724 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 :: 118.898 NE2 :: 111.461 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.4 K 0.08 G 0.07 C Shift Assignments>> C :: 174.737 CA :: 57.057 CB :: 30.553 CG :: 28.018 CD :: 43.459 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 :: 7.416 HA :: 4.121 HB2 :: 1.883 HB3 :: 1.767 HG2 :: 1.644 HG3 :: 1.513 HD2 :: 3.087 HD3 :: 3.087 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 :: 116.658 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.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.32 K 0.11 Q 0.07 I 0.06 M 0.03 C Shift Assignments>> C :: 174.309 CA :: 57.518 CB :: 29.401 CG :: 36.084 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 :: 7.579 HA :: 4.034 HB2 :: 1.914 HB3 :: 1.914 HG2 :: 2.371 HG3 :: 2.371 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 :: 119.228 Ave N Shift Values>> N :: 120.67(3.48) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 F 0.12 N 0.12 Y 0.1 C 0.06 K 0.06 C Shift Assignments>> CA :: 54.752 CB :: 40.694 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 :: 8.123 HA :: 4.451 HB2 :: 2.603 HB3 :: 2.502 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 :: 119.986 Ave N Shift Values>> N :: 120.65(3.86) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.3 R 0.03 A 0.02 C Shift Assignments>> CA :: 55.674 CB :: 42.077 CG :: 26.866 CD1 :: 25.022 CD2 :: 23.178 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 :: 7.807 HA :: 4.103 HB2 :: 1.464 HB3 :: 1.426 HG :: 1.448 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 HD21 :: 0.615 HD22 :: 0.615 HD23 :: 0.615 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 :: 121.301 Ave N Shift Values>> N :: 121.86(3.9) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 173.513 CA :: 62.819 CB :: 32.167 CG1 :: 21.104 CG2 :: 20.874 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 :: 7.831 HA :: 3.908 HB :: 1.951 HG11 :: 0.783 HG12 :: 0.783 HG13 :: 0.783 HG21 :: 0.783 HG22 :: 0.783 HG23 :: 0.783 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 :: 119.881 Ave N Shift Values>> N :: 121.14(4.54) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.37 K 0.06 G 0.05 C Shift Assignments>> C :: 173.247 CA :: 55.905 CB :: 31.014 CG :: 26.866 CD :: 43.229 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 :: 8.131 HA :: 4.225 HB2 :: 1.711 HB3 :: 1.640 HG2 :: 1.508 HG3 :: 1.508 HD2 :: 3.057 HD3 :: 3.057 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 :: 124.145 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.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.11 F 0.1 N 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> CA :: 54.522 CB :: 41.155 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 :: 8.267 HA :: 4.524 HB2 :: 2.587 HB3 :: 2.508 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 :: 121.253 Ave N Shift Values>> N :: 120.65(3.86) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 171.526 CA :: 61.666 CB :: 69.963 CG2 :: 21.565 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 :: 7.958 HA :: 4.246 HB :: 4.095 HG21 :: 1.064 HG22 :: 1.064 HG23 :: 1.064 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 :: 114.142 Ave N Shift Values>> N :: 115.42(4.75) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 172.531 CA :: 62.127 CB :: 32.627 CG1 :: 20.874 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 :: 8.088 HA :: 4.044 HB :: 1.980 HG11 :: 0.817 HG12 :: 0.817 HG13 :: 0.817 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 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 :: 122.726 Ave N Shift Values>> N :: 121.14(4.54) 1.E102 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.43 E 0.38 M 0.1 I 0.04 K 0.01 Q 0.01 C Shift Assignments>> C :: 129.544(A) CA :: 57.986 CB :: 30.988 CG :: 36.770 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 :: 7.962 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 :: 181.029(A) Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 97 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 99 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 102 #Suspicious: 0 C Shift Results: #Consistent: 400 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 696 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 101 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.R14 HD3 = 2.170(S), Expected = 3.10, Std = 0.2600, ChiSquare = 3.4766e-04 1.Q60 HE22 = 5.511(S), Expected = 7.02, Std = 0.4400, ChiSquare = 6.0459e-04 1.E80 HG2 = 1.483(S), Expected = 2.27, Std = 0.2100, ChiSquare = 1.7852e-04 1.E80 HG3 = 1.483(S), Expected = 2.25, Std = 0.2200, ChiSquare = 4.8963e-04 1.R84 Typing: Mistyped 1.R84 CD = 39.081(S), Expected = 43.16, Std = 0.8800, ChiSquare = 3.5655e-06 1.E102 C = 129.544(A), Expected = 176.87, Std = 1.9500, ChiSquare = 0.0000e+00 1.E102 N = 181.029(A), Expected = 120.67, Std = 3.4800, ChiSquare = 2.1691e-67