Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.31 R 0.29 K 0.09 D 0.09 F 0.07 Y 0.04 C 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 167.435(S) CA :: 42.853 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.908 HA3 :: 3.908 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 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 :: 171.704 CA :: 57.605 CB :: 63.572 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.691 HA :: 4.593 HB2 :: 3.851 HB3 :: 3.851 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 :: 115.774 Ave N Shift Values>> N :: 116.28(3.52) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 HN Overlap>> 1.R112 1.R112 C Shift Assignments>> C :: 173.665 CA :: 61.818 CB :: 32.294 CG1 :: 20.055 CG2 :: 20.725 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 :: 8.409 HA :: 4.209 HB :: 2.067 HG11 :: 0.919 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 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 :: 122.144 Ave N Shift Values>> N :: 121.14(4.54) 1.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 173.985 CA :: 62.062 CB :: 32.133 CG1 :: 20.323 CG2 :: 20.697 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 :: 8.380 HA :: 4.109 HB :: 2.044 HG11 :: 0.938 HG12 :: 0.938 HG13 :: 0.938 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 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 :: 124.889 Ave N Shift Values>> N :: 121.14(4.54) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.984 CA :: 44.818 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.611 HA2 :: 3.980 HA3 :: 3.980 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.471 Ave N Shift Values>> N :: 109.67(3.87) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.16 R 0.05 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 171.824 CA :: 44.870 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.341 HA2 :: 3.989 HA3 :: 3.989 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.537 Ave N Shift Values>> N :: 109.67(3.87) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.23 A 0.03 HN Overlap>> 1.D109 1.D109 C Shift Assignments>> C :: 175.493 CA :: 54.646 CB :: 42.041 CG :: 26.383 CD1 :: 23.930 CD2 :: 23.204 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 :: 8.321 HA :: 4.366 HB2 :: 1.512 HB3 :: 1.611 HG :: 1.477 HD11 :: 0.612 HD12 :: 0.612 HD13 :: 0.612 HD21 :: 0.536 HD22 :: 0.536 HD23 :: 0.536 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 :: 122.008 Ave N Shift Values>> N :: 121.86(3.9) 1.G8 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 :: 172.304 CA :: 45.902 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.660 HA2 :: 3.960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.954 Ave N Shift Values>> N :: 109.67(3.87) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.397 CA :: 44.732 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.414 HA2 :: 3.916 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.912 Ave N Shift Values>> N :: 109.67(3.87) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 HN Overlap>> 1.M36 1.M36 C Shift Assignments>> C :: 173.078 CA :: 58.117 CB :: 39.364 CD1 :: 133.321 CE1 :: 118.239 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 :: 7.943 HA :: 4.267 HB2 :: 3.000 HB3 :: 2.933 HD1 :: 6.933 HD2 :: 6.933 HE1 :: 6.741 HE2 :: 6.741 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 :: 118.512 Ave N Shift Values>> N :: 120.52(4.2) 1.M11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.24 A 0.23 HN Overlap>> 1.V48 1.V48 C Shift Assignments>> C :: 170.796 CA :: 53.784 CB :: 33.788 CG :: 31.776 CE :: 16.582 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 :: 9.031 HA :: 4.464 HB2 :: 1.163 HB3 :: 1.612 HG2 :: 2.332 HG3 :: 2.332 HE1 :: 1.928 HE2 :: 1.928 HE3 :: 1.928 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 :: 122.170 Ave N Shift Values>> N :: 120.09(3.57) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 L 0.23 C 0.17 G 0.06 R 0.01 HN Overlap>> 1.H22 1.H22 C Shift Assignments>> C :: 175.800 CA :: 52.860 CB :: 42.805 CG :: 25.810 CD1 :: 21.369 CD2 :: 25.159 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 :: 8.164 HA :: 4.681 HB2 :: 1.060 HB3 :: 1.636 HG :: 1.365 HD11 :: 0.044 HD12 :: 0.044 HD13 :: 0.044 HD21 :: 0.617 HD22 :: 0.617 HD23 :: 0.617 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 :: 121.650 Ave N Shift Values>> N :: 121.86(3.9) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 170.116 CA :: 44.100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.424 HA2 :: 4.297 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.927 Ave N Shift Values>> N :: 109.67(3.87) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.291 CA :: 58.133 CB :: 63.479 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.223 HA :: 4.363 HB2 :: 3.867 HB3 :: 3.948 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 :: 113.904 Ave N Shift Values>> N :: 116.28(3.52) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.22 C 0.01 C Shift Assignments>> C :: 174.879 CA :: 52.441 CB :: 17.856 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.759 HA :: 4.388 HB1 :: 1.253 HB2 :: 1.253 HB3 :: 1.253 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.700 Ave N Shift Values>> N :: 123.23(3.54) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 M 0.32 C 0.25 C Shift Assignments>> C :: 173.038 CA :: 53.533 CB :: 35.921 CG :: 30.952 CE :: 17.091 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 :: 8.765 HA :: 4.703 HB2 :: 2.011 HB3 :: 1.941 HG2 :: 2.476 HG3 :: 2.407 HE1 :: 2.099 HE2 :: 2.099 HE3 :: 2.099 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 :: 121.316 Ave N Shift Values>> N :: 120.09(3.57) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.784 CA :: 58.079 CB :: 62.646 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.432 HA :: 4.346 HB2 :: 3.820 HB3 :: 3.743 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 :: 116.052 Ave N Shift Values>> N :: 116.28(3.52) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.28 G 0.16 L 0.05 K 0.04 C Shift Assignments>> C :: 171.997 CA :: 54.346 CB :: 28.212 CG :: 28.974 CD :: 43.442 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 :: 8.685 HA :: 4.368 HB2 :: 1.807 HB3 :: 1.773 HG2 :: 1.626 HG3 :: 1.626 HD2 :: 3.080 HD3 :: 2.959 HE :: 6.742 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 :: 126.486 NE :: 85.669 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.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 173.146 CA :: 61.886 CB :: 31.766 CG :: 26.839 CD :: 50.115 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 :: 4.404 HB2 :: 1.765 HB3 :: 2.226 HG2 :: 1.964 HG3 :: 1.992 HD2 :: 3.596 HD3 :: 3.902 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.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.35 A 0.24 C Shift Assignments>> C :: 172.452 CA :: 53.584 CB :: 29.826 CG :: 31.430 CE :: 16.013 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 :: 8.755 HA :: 4.862 HB2 :: 2.021 HB3 :: 1.996 HG2 :: 2.688 HG3 :: 2.353 HE1 :: 2.132 HE2 :: 2.132 HE3 :: 2.132 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 :: 122.019 Ave N Shift Values>> N :: 120.09(3.57) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 170.731 CA :: 58.836 CB :: 38.588 CG1 :: 26.250 CG2 :: 16.674 CD1 :: 11.977 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 :: 6.610 HA :: 3.869 HB :: 0.869 HG12 :: 0.859 HG13 :: 0.736 HG21 :: -0.075 HG22 :: -0.075 HG23 :: -0.075 HD11 :: 0.431 HD12 :: 0.431 HD13 :: 0.431 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 :: 124.208 Ave N Shift Values>> N :: 121.46(4.28) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.36 C 0.19 HN Overlap>> 1.L12 1.L12 C Shift Assignments>> C :: 172.052 CA :: 53.608 CB :: 29.087 CD2 :: 120.026 CE1 :: 136.570 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 :: 8.248 HA :: 4.925 HB2 :: 3.301 HB3 :: 2.955 HD2 :: 7.235 HE1 :: 8.587 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 :: 121.669 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.38 C 0.17 C Shift Assignments>> C :: 174.307 CA :: 59.148 CB :: 40.372 CD1 :: 132.124 CE1 :: 131.439 CZ :: 129.198 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 :: 10.441 HA :: 4.268 HB2 :: 2.792 HB3 :: 3.315 HD1 :: 7.319 HD2 :: 7.319 HE1 :: 6.913 HE2 :: 6.913 HZ :: 6.773 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.778 Ave N Shift Values>> N :: 120.45(4.18) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 170.637 CA :: 45.260 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.048 HA2 :: 4.128 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.995 Ave N Shift Values>> N :: 109.67(3.87) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.24 L 0.17 C 0.05 F 0.05 K 0.04 Y 0.03 C Shift Assignments>> C :: 171.825 CA :: 52.101 CB :: 41.048 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 :: 7.244 HA :: 4.899 HB2 :: 2.733 HB3 :: 2.705 HD21 :: 7.615 HD22 :: 7.462 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 :: 114.391 ND2 :: 115.979 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 D 0.11 C 0.11 K 0.07 I 0.05 N 0.01 C Shift Assignments>> C :: 175.294 CA :: 57.360 CB :: 40.530 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 :: 9.068 HA :: 4.448 HB2 :: 2.786 HB3 :: 2.786 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 :: 123.346 Ave N Shift Values>> N :: 120.65(3.86) 1.W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 176.548 CA :: 61.334 CB :: 27.882 CD1 :: 127.721 CE3 :: 120.918 CZ2 :: 114.892 CZ3 :: 121.390 CH2 :: 125.073 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 :: 8.562 HA :: 4.244 HB2 :: 3.428 HB3 :: 3.428 HD1 :: 7.358 HE1 :: 10.266 HE3 :: 7.374 HZ2 :: 7.450 HZ3 :: 6.736 HH2 :: 6.913 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 :: 120.569 NE1 :: 129.611 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 I 0.24 K 0.04 Q 0.01 C Shift Assignments>> C :: 175.027 CA :: 59.403 CB :: 29.107 CG :: 36.757 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 :: 8.217 HA :: 3.471 HB2 :: 1.856 HB3 :: 1.290 HG2 :: 2.140 HG3 :: 1.612 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 :: 120.434 Ave N Shift Values>> N :: 120.67(3.48) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 C 0.13 I 0.09 L 0.07 D 0.06 K 0.02 N 0.01 C Shift Assignments>> C :: 176.375 CA :: 58.035 CB :: 40.024 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 :: 7.977 HA :: 4.680 HB2 :: 2.847 HB3 :: 2.938 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 :: 119.029 Ave N Shift Values>> N :: 120.65(3.86) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.43 K 0.05 G 0.05 L 0.01 HN Overlap>> 1.K102 1.K102 C Shift Assignments>> C :: 174.920 CA :: 59.150 CB :: 29.400 CG :: 27.270 CD :: 43.113 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 :: 8.061 HA :: 3.980 HB2 :: 1.875 HB3 :: 1.875 HG2 :: 1.723 HG3 :: 1.487 HD2 :: 3.215 HD3 :: 3.190 HE :: 7.471 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 :: 120.001 NE :: 85.195 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.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 176.907 CA :: 61.759 CB :: 37.745 CD1 :: 133.785 CE1 :: 118.081 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 :: 8.296 HA :: 3.753 HB2 :: 2.695 HB3 :: 2.327 HD1 :: 6.895 HD2 :: 6.895 HE1 :: 6.921 HE2 :: 6.921 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 :: 120.866 Ave N Shift Values>> N :: 120.52(4.2) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 174.319 CA :: 62.558 CB :: 37.979 CD1 :: 133.600 CE1 :: 118.520 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 :: 9.019 HA :: 4.104 HB2 :: 3.571 HB3 :: 3.219 HD1 :: 7.505 HD2 :: 7.505 HE1 :: 7.034 HE2 :: 7.034 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 :: 120.398 Ave N Shift Values>> N :: 120.52(4.2) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.39 G 0.05 K 0.05 C Shift Assignments>> C :: 176.427 CA :: 59.534 CB :: 29.345 CG :: 27.984 CD :: 43.100 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 :: 7.927 HA :: 3.874 HB2 :: 1.969 HB3 :: 2.032 HG2 :: 1.991 HG3 :: 1.755 HD2 :: 3.357 HD3 :: 3.283 HE :: 7.499 HH11 :: 7.096 HH12 :: 7.096 HH21 :: 6.618 HH22 :: 6.618 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 :: 117.378 NE :: 84.876 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.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.28 K 0.16 Q 0.15 M 0.03 I 0.03 C Shift Assignments>> C :: 174.866 CA :: 57.218 CB :: 29.369 CG :: 35.488 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 :: 7.906 HA :: 4.102 HB2 :: 1.885 HB3 :: 1.885 HG2 :: 2.464 HG3 :: 2.254 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 :: 115.523 Ave N Shift Values>> N :: 120.67(3.48) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.13 F 0.11 Y 0.08 K 0.07 C 0.06 C Shift Assignments>> C :: 172.851 CA :: 54.440 CB :: 40.801 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.554 HA :: 4.504 HB2 :: 2.219 HB3 :: 2.146 HD21 :: 6.798 HD22 :: 6.556 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.222 ND2 :: 116.809 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 M 0.16 HN Overlap>> 1.Y10 1.Y10 C Shift Assignments>> C :: 173.812 CA :: 58.678 CB :: 29.945 CG :: 29.816 CE :: 16.911 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 :: 7.887 HA :: 3.413 HB2 :: 1.574 HB3 :: 1.253 HG2 :: 2.311 HG3 :: 1.824 HE1 :: 1.934 HE2 :: 1.934 HE3 :: 1.934 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 :: 118.425 Ave N Shift Values>> N :: 120.09(3.57) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 Y 0.31 H 0.04 W 0.03 C Shift Assignments>> C :: 173.278 CA :: 58.866 CB :: 35.728 CD1 :: 133.440 CE1 :: 118.765 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 :: 7.643 HA :: 4.164 HB2 :: 2.977 HB3 :: 2.977 HD1 :: 7.084 HD2 :: 7.084 HE1 :: 6.892 HE2 :: 6.892 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 :: 116.528 Ave N Shift Values>> N :: 120.52(4.2) 1.R38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.15 K 0.01 C Shift Assignments>> C :: 174.225 CA :: 55.882 CB :: 30.310 CG :: 26.767 CD :: 43.972 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 :: 7.524 HA :: 4.069 HB2 :: 1.390 HB3 :: 2.066 HG2 :: 1.266 HG3 :: 0.512(S) HD2 :: 3.212 HD3 :: 3.079 HE :: 7.436 HH11 :: 6.410 HH12 :: 6.410 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 :: 118.676 NE :: 84.707 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.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 H 0.28 Y 0.05 W 0.03 C Shift Assignments>> C :: 170.223 CA :: 52.470 CB :: 34.368 CD1 :: 131.356 CE1 :: 117.252 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 :: 7.456 HA :: 4.995 HB2 :: 3.133 HB3 :: 3.077 HD1 :: 6.915 HD2 :: 6.915 HE1 :: 6.594 HE2 :: 6.594 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 :: 121.207 Ave N Shift Values>> N :: 120.52(4.2) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 172.332 CA :: 63.038 CB :: 31.650 CG :: 26.786 CD :: 49.380 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 :: 4.316 HB2 :: 1.608 HB3 :: 2.362 HG2 :: 1.546 HG3 :: 1.212 HD2 :: 3.062 HD3 :: 3.222 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.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 C 0.11 D 0.07 Y 0.03 F 0.03 L 0.01 M 0.01 C Shift Assignments>> C :: 170.303 CA :: 51.447 CB :: 37.953 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 :: 8.627 HA :: 4.677 HB2 :: 3.616 HB3 :: 2.417 HD21 :: 7.515 HD22 :: 6.843 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 :: 116.235 ND2 :: 109.380 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 C 0.32 Q 0.1 E 0.01 C Shift Assignments>> C :: 172.438 CA :: 53.698 CB :: 32.786 CG :: 33.534 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 :: 7.258 HA :: 4.523 HB2 :: 1.936 HB3 :: 1.691 HG2 :: 2.148 HG3 :: 1.998 HE21 :: 7.929 HE22 :: 7.040 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 :: 114.100 NE2 :: 112.814 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.05 A 0.03 C Shift Assignments>> C :: 171.397 CA :: 58.039 CB :: 33.007 CG1 :: 23.003 CG2 :: 17.635 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 :: 8.418 HA :: 4.905 HB :: 2.497 HG11 :: 0.864 HG12 :: 0.864 HG13 :: 0.864 HG21 :: 0.557 HG22 :: 0.557 HG23 :: 0.557 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 :: 113.221 Ave N Shift Values>> N :: 121.14(4.54) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> C :: 171.770 CA :: 56.686 CB :: 40.932 CD1 :: 133.136 CE1 :: 118.626 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 :: 8.499 HA :: 5.562 HB2 :: 2.619 HB3 :: 2.557 HD1 :: 6.939 HD2 :: 6.939 HE1 :: 6.793 HE2 :: 6.793 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 :: 122.027 Ave N Shift Values>> N :: 120.52(4.2) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 171.090 CA :: 55.494 CB :: 39.844 CD1 :: 133.541 CE1 :: 117.557 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 :: 9.051 HA :: 5.439 HB2 :: 3.096 HB3 :: 2.829 HD1 :: 6.795 HD2 :: 6.795 HE1 :: 6.330 HE2 :: 6.330 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 :: 113.195 Ave N Shift Values>> N :: 120.52(4.2) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 C 0.25 G 0.09 K 0.06 C Shift Assignments>> CA :: 52.588 CB :: 30.765 CG :: 27.358 CD :: 43.025 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.137 HA :: 4.743 HB2 :: 1.678 HB3 :: 2.003 HG2 :: 1.293 HG3 :: 1.018 HD2 :: 2.569 HD3 :: 2.634 HE :: 6.041 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 :: 120.127 NE :: 83.892 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.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 174.547 CA :: 63.254 CB :: 32.245 CG :: 27.796 CD :: 50.302 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 :: 4.692 HB2 :: 2.076 HB3 :: 2.558 HG2 :: 2.186 HG3 :: 2.028 HD2 :: 3.721 HD3 :: 3.446 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.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 HN Overlap>> 1.M11 1.M11 C Shift Assignments>> C :: 173.558 CA :: 64.757 CB :: 31.818 CG1 :: 19.650 CG2 :: 21.476 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 :: 8.971 HA :: 3.826 HB :: 2.118 HG11 :: 0.923 HG12 :: 0.923 HG13 :: 0.923 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 :: 122.144 Ave N Shift Values>> N :: 121.14(4.54) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.19 Y 0.1 F 0.1 C 0.1 L 0.06 HN Overlap>> 1.T74 1.T74 C Shift Assignments>> C :: 174.319 CA :: 54.019 CB :: 38.978 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 :: 8.189 HA :: 4.515 HB2 :: 2.956 HB3 :: 2.689 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 :: 117.388 Ave N Shift Values>> N :: 120.65(3.86) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.28 K 0.17 R 0.16 E 0.02 HN Overlap>> 1.Y51 1.Y51 C Shift Assignments>> C :: 171.597 CA :: 55.194 CB :: 26.692 CG :: 33.888 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 :: 8.086 HA :: 4.099 HB2 :: 1.933 HB3 :: 1.661 HG2 :: 2.227 HG3 :: 2.227 HE21 :: 7.641 HE22 :: 6.848 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 :: 117.833 NE2 :: 113.053 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.38 G 0.02 HN Overlap>> 1.Q50 1.Q50 C Shift Assignments>> C :: 173.171 CA :: 55.951 CB :: 42.054 CD1 :: 134.412 CE1 :: 118.448 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 :: 7.998 HA :: 4.772 HB2 :: 3.168 HB3 :: 2.842 HD1 :: 7.183 HD2 :: 7.183 HE1 :: 6.848 HE2 :: 6.848 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 :: 117.764 Ave N Shift Values>> N :: 120.52(4.2) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.104 CA :: 59.508 CB :: 62.761 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.151 HA :: 4.851 HB2 :: 3.966 HB3 :: 3.966 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 :: 114.832 Ave N Shift Values>> N :: 116.28(3.52) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.19 C 0.07 F 0.04 L 0.04 Y 0.04 C Shift Assignments>> C :: 172.077 CA :: 52.135 CB :: 39.093 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 :: 7.512 HA :: 4.622 HB2 :: 3.265 HB3 :: 3.016 HD21 :: 7.567 HD22 :: 6.711 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 :: 112.508 ND2 :: 113.923 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.25 E 0.06 R 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 174.199 CA :: 58.372 CB :: 28.433 CG :: 33.920 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 :: 8.881 HA :: 3.625 HB2 :: 2.044 HB3 :: 1.920 HG2 :: 2.207 HG3 :: 1.923 HE21 :: 7.390 HE22 :: 6.746 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 :: 119.174 NE2 :: 110.884 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.2 Y 0.17 F 0.12 N 0.11 M 0.06 I 0.03 D 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 175.493 CA :: 56.085 CB :: 37.282 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 :: 8.441 HA :: 4.290 HB2 :: 2.667 HB3 :: 2.762 HD21 :: 7.643 HD22 :: 7.016 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 :: 119.128 ND2 :: 113.119 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.2 Y 0.15 E 0.13 F 0.11 M 0.05 D 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 174.706 CA :: 55.163 CB :: 37.485 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 :: 8.553 HA :: 4.472 HB2 :: 3.018 HB3 :: 2.802 HD21 :: 7.414 HD22 :: 7.205 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 :: 119.197 ND2 :: 111.599 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.69 M 0.25 C 0.02 C Shift Assignments>> C :: 176.587 CA :: 54.158 CB :: 19.011 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.191 HA :: 2.131(S) HB1 :: 1.058 HB2 :: 1.058 HB3 :: 1.058 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.096 Ave N Shift Values>> N :: 123.23(3.54) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 174.839 CA :: 66.953 CB :: 31.527 CG1 :: 21.245 CG2 :: 24.348 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 :: 8.383 HA :: 3.570 HB :: 2.204 HG11 :: 0.990 HG12 :: 0.990 HG13 :: 0.990 HG21 :: 1.069 HG22 :: 1.069 HG23 :: 1.069 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.288 Ave N Shift Values>> N :: 121.14(4.54) 1.H59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.33 H 0.28 C Shift Assignments>> C :: 174.119 CA :: 58.764 CB :: 27.725 CD2 :: 120.316 CE1 :: 136.722 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 :: 8.190 HA :: 4.335 HB2 :: 3.338 HB3 :: 3.338 HD2 :: 7.365 HE1 :: 8.648 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 :: 115.921 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.17 Y 0.17 L 0.16 D 0.12 C 0.08 I 0.03 R 0.01 N 0.01 HN Overlap>> 1.K86 1.K86 C Shift Assignments>> C :: 173.251 CA :: 57.190 CB :: 41.147 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 :: 7.881 HA :: 4.760 HB2 :: 3.003 HB3 :: 2.995 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 :: 119.225 Ave N Shift Values>> N :: 120.65(3.86) 1.C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 C 0.12 I 0.1 L 0.07 K 0.06 D 0.04 C Shift Assignments>> C :: 174.854 CA :: 58.592 CB :: 40.589 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.176 HA :: 4.910 HB2 :: 3.849 HB3 :: 3.803 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 :: 120.243 Ave N Shift Values>> N :: 120.17(4.64) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 174.572 CA :: 65.666 CB :: 31.481 CG1 :: 21.633 CG2 :: 22.584 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 :: 8.869 HA :: 3.696 HB :: 2.302 HG11 :: 1.006 HG12 :: 1.006 HG13 :: 1.006 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 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 :: 124.646 Ave N Shift Values>> N :: 121.14(4.54) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.18 C 0.18 N 0.16 D 0.08 E 0.05 I 0.03 L 0.03 M 0.02 C Shift Assignments>> C :: 176.160 CA :: 55.922 CB :: 38.283 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 :: 7.940 HA :: 4.372 HB2 :: 2.968 HB3 :: 2.897 HD21 :: 7.762 HD22 :: 6.832 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 :: 117.012 ND2 :: 111.921 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.3 C Shift Assignments>> C :: 175.401 CA :: 61.476 CB :: 35.548 CG1 :: 26.891 CG2 :: 17.565 CD1 :: 10.014 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 :: 9.131 HA :: 3.817 HB :: 1.746 HG12 :: 0.889 HG13 :: 0.889 HG21 :: 0.270 HG22 :: 0.270 HG23 :: 0.270 HD11 :: 0.481 HD12 :: 0.481 HD13 :: 0.481 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 :: 120.424 Ave N Shift Values>> N :: 121.46(4.28) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.M87 1.M87 C Shift Assignments>> C :: 175.160 CA :: 68.147 CB :: 67.884 CG2 :: 21.739 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 :: 8.284 HA :: 4.105 HB :: 4.551 HG1 :: 6.352 HG21 :: 1.464 HG22 :: 1.464 HG23 :: 1.464 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 :: 118.605 Ave N Shift Values>> N :: 115.42(4.75) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 176.174 CA :: 66.091 CB :: 36.854 CG1 :: 30.178 CG2 :: 16.253 CD1 :: 13.589 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 :: 8.595 HA :: 3.652 HB :: 2.055 HG12 :: 1.952 HG13 :: 1.012 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 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 :: 121.410 Ave N Shift Values>> N :: 121.46(4.28) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.44 R 0.06 C Shift Assignments>> C :: 176.414 CA :: 59.683 CB :: 31.817 CG :: 24.510 CD :: 28.793 CE :: 41.529 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 :: 8.346 HA :: 4.092 HB2 :: 1.921 HB3 :: 1.995 HG2 :: 1.518 HG3 :: 1.420 HD2 :: 1.652 HD3 :: 1.652 HE2 :: 2.940 HE3 :: 2.940 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 :: 123.434 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.22 Q 0.22 K 0.18 M 0.02 C Shift Assignments>> C :: 175.614 CA :: 57.426 CB :: 27.383 CG :: 32.974 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 :: 8.471 HA :: 4.100 HB2 :: 2.076 HB3 :: 1.960 HG2 :: 2.186 HG3 :: 1.837 HE21 :: 6.971 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 :: 116.823 NE2 :: 110.227 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 H 0.31 W 0.31 C Shift Assignments>> C :: 174.787 CA :: 58.522 CB :: 30.675 CD2 :: 118.275 CE1 :: 139.108 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 :: 8.285 HA :: 4.624 HB2 :: 3.396 HB3 :: 3.251 HD2 :: 7.053 HE1 :: 8.133 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 :: 118.730 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 173.426 CA :: 65.266 CB :: 68.542 CG2 :: 20.873 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 :: 8.436 HA :: 4.160 HB :: 4.487 HG21 :: 1.267 HG22 :: 1.267 HG23 :: 1.267 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 :: 114.399 Ave N Shift Values>> N :: 115.42(4.75) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 175.414 CA :: 64.971 CB :: 31.507 CG1 :: 20.563 CG2 :: 21.358 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 :: 8.078 HA :: 3.980 HB :: 2.251 HG11 :: 0.985 HG12 :: 0.985 HG13 :: 0.985 HG21 :: 1.071 HG22 :: 1.071 HG23 :: 1.071 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 :: 122.497 Ave N Shift Values>> N :: 121.14(4.54) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 173.585 CA :: 63.947 CB :: 68.856 CG2 :: 21.317 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 :: 8.128 HA :: 4.230 HB :: 4.307 HG21 :: 1.315 HG22 :: 1.315 HG23 :: 1.315 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 :: 114.782 Ave N Shift Values>> N :: 115.42(4.75) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.785 CA :: 63.793 CB :: 68.607 CG2 :: 21.028 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 :: 8.033 HA :: 4.195 HB :: 4.167 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 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 :: 114.677 Ave N Shift Values>> N :: 115.42(4.75) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 HN Overlap>> 1.T98 1.D49 1.T98 1.D49 C Shift Assignments>> C :: 174.400 CA :: 64.077 CB :: 68.711 CG2 :: 21.143 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 :: 8.260 HA :: 4.397 HB :: 4.386 HG21 :: 1.322 HG22 :: 1.322 HG23 :: 1.322 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 :: 117.368 Ave N Shift Values>> N :: 115.42(4.75) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 172.384 CA :: 63.505 CB :: 68.746 CG2 :: 21.253 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 :: 7.902 HA :: 4.251 HB :: 4.316 HG21 :: 1.301 HG22 :: 1.301 HG23 :: 1.301 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 :: 116.012 Ave N Shift Values>> N :: 115.42(4.75) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.37 R 0.13 C Shift Assignments>> C :: 174.252 CA :: 55.900 CB :: 32.008 CG :: 24.382 CD :: 28.707 CE :: 41.632 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 :: 7.771 HA :: 4.395 HB2 :: 1.988 HB3 :: 1.846 HG2 :: 1.506 HG3 :: 1.471 HD2 :: 1.681 HD3 :: 1.681 HE2 :: 2.981 HE3 :: 2.981 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 :: 120.777 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 171.531 CA :: 45.012 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.112 HA2 :: 4.119 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.674 Ave N Shift Values>> N :: 109.67(3.87) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.24 C 0.24 E 0.21 M 0.16 K 0.12 C Shift Assignments>> C :: 172.425 CA :: 55.178 CB :: 30.280 CG :: 34.899 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 :: 7.649 HA :: 4.276 HB2 :: 1.654 HB3 :: 1.654 HG2 :: 1.996 HG3 :: 2.112 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 :: 120.037 Ave N Shift Values>> N :: 120.67(3.48) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.32 L 0.11 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 171.251 CA :: 52.383 CB :: 40.193 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 :: 8.532 HA :: 4.675 HB2 :: 2.682 HB3 :: 2.624 HD21 :: 7.596 HD22 :: 6.861 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 :: 119.822 ND2 :: 113.324 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.38 C 0.18 C Shift Assignments>> C :: 174.040 CA :: 56.316 CB :: 39.548 CD1 :: 131.693 CE1 :: 130.336 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 :: 8.739 HA :: 5.313 HB2 :: 2.968 HB3 :: 3.150 HD1 :: 7.370 HD2 :: 7.370 HE1 :: 7.473 HE2 :: 7.473 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 :: 121.446 Ave N Shift Values>> N :: 120.45(4.18) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 172.865 CA :: 60.003 CB :: 71.436 CG2 :: 21.292 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 :: 9.598 HA :: 4.650 HB :: 4.861 HG21 :: 1.465 HG22 :: 1.465 HG23 :: 1.465 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 :: 116.099 Ave N Shift Values>> N :: 115.42(4.75) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.19 K 0.15 Q 0.14 I 0.11 R 0.01 C Shift Assignments>> C :: 176.441 CA :: 59.317 CB :: 28.335 CG :: 35.140 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 :: 9.189 HA :: 4.112 HB2 :: 2.159 HB3 :: 2.098 HG2 :: 2.450 HG3 :: 2.390 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 :: 119.991 Ave N Shift Values>> N :: 120.67(3.48) 1.T83 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 :: 173.092 CA :: 66.421 CB :: 68.254 CG2 :: 20.899 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 :: 8.014 HA :: 3.842 HB :: 3.821 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 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 :: 116.451 Ave N Shift Values>> N :: 115.42(4.75) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.2 Y 0.17 L 0.15 D 0.09 C 0.08 I 0.03 R 0.02 C Shift Assignments>> C :: 175.027 CA :: 57.619 CB :: 41.325 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 :: 7.562 HA :: 4.648 HB2 :: 3.432 HB3 :: 2.724 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 :: 119.942 Ave N Shift Values>> N :: 120.65(3.86) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 174.960 CA :: 67.435 CB :: 31.062 CG1 :: 22.255 CG2 :: 20.791 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 :: 8.311 HA :: 3.305 HB :: 2.127 HG11 :: 0.984 HG12 :: 0.984 HG13 :: 0.984 HG21 :: 0.912 HG22 :: 0.912 HG23 :: 0.912 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 :: 120.018 Ave N Shift Values>> N :: 121.14(4.54) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 HN Overlap>> 1.D60 1.D60 C Shift Assignments>> C :: 177.549 CA :: 58.935 CB :: 31.604 CG :: 24.743 CD :: 28.774 CE :: 41.594 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 :: 7.849 HA :: 4.076 HB2 :: 2.005 HB3 :: 2.005 HG2 :: 1.643 HG3 :: 1.464 HD2 :: 1.701 HD3 :: 1.701 HE2 :: 2.968 HE3 :: 2.968 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.225 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.29 HN Overlap>> 1.T65 1.T65 C Shift Assignments>> C :: 175.681 CA :: 59.365 CB :: 32.431 CG :: 33.584 CE :: 17.754 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 :: 8.234 HA :: 4.197 HB2 :: 2.393 HB3 :: 1.965 HG2 :: 3.052 HG3 :: 2.381 HE1 :: 1.545 HE2 :: 1.545 HE3 :: 1.545 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 :: 118.625 Ave N Shift Values>> N :: 120.09(3.57) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.32 C Shift Assignments>> C :: 175.174 CA :: 59.679 CB :: 33.533 CG :: 32.706 CE :: 15.605 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 :: 8.754 HA :: 3.591 HB2 :: 2.079 HB3 :: 2.058 HG2 :: 1.938 HG3 :: 1.545 HE1 :: 1.330 HE2 :: 1.330 HE3 :: 1.330 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 :: 118.090 Ave N Shift Values>> N :: 120.09(3.57) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.16 E 0.13 Q 0.12 K 0.11 R 0.02 C Shift Assignments>> C :: 175.868 CA :: 59.954 CB :: 27.804 CG :: 35.000 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 :: 8.608 HA :: 3.685 HB2 :: 2.227 HB3 :: 2.038 HG2 :: 2.607 HG3 :: 2.204 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 :: 118.517 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 0.38 R 0.29 K 0.28 L 0.02 C Shift Assignments>> C :: 176.508 CA :: 58.024 CB :: 29.559 CG :: 26.409 CD :: 42.197 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 :: 7.288 HA :: 4.215 HB2 :: 1.936 HB3 :: 2.076 HG2 :: 1.787 HG3 :: 1.703 HD2 :: 3.220 HD3 :: 3.119 HE :: 7.296 HH11 :: 6.779 HH12 :: 6.779 HH21 :: 6.537 HH22 :: 6.537 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 :: 117.048 NE :: 83.307 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.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 174.560 CA :: 65.346 CB :: 31.900 CG1 :: 23.343 CG2 :: 20.381 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 :: 8.290 HA :: 3.770 HB :: 2.266 HG11 :: 1.281 HG12 :: 1.281 HG13 :: 1.281 HG21 :: 1.244 HG22 :: 1.244 HG23 :: 1.244 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.909 Ave N Shift Values>> N :: 121.14(4.54) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.32 C Shift Assignments>> C :: 174.854 CA :: 65.825 CB :: 30.495 CG1 :: 24.537 CG2 :: 23.669 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 :: 9.233 HA :: 3.660 HB :: 2.260 HG11 :: 1.244 HG12 :: 1.244 HG13 :: 1.244 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 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 :: 120.898 Ave N Shift Values>> N :: 121.14(4.54) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.21 E 0.13 K 0.1 Q 0.09 R 0.01 C Shift Assignments>> C :: 174.760 CA :: 60.709 CB :: 28.240 CG :: 35.051 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 :: 7.871 HA :: 3.576 HB2 :: 2.259 HB3 :: 2.127 HG2 :: 2.146 HG3 :: 2.146 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 :: 120.539 Ave N Shift Values>> N :: 120.67(3.48) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.23 K 0.17 R 0.16 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 176.401 CA :: 58.497 CB :: 27.439 CG :: 33.411 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 :: 7.087 HA :: 3.990 HB2 :: 2.140 HB3 :: 2.128 HG2 :: 2.451 HG3 :: 2.375 HE21 :: 7.445 HE22 :: 6.797 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 :: 115.613 NE2 :: 111.693 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.38 C Shift Assignments>> C :: 175.601 CA :: 59.543 CB :: 33.805 CG :: 31.823 CE :: 16.201 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 :: 8.166 HA :: 4.006 HB2 :: 2.119 HB3 :: 2.024 HG2 :: 2.772 HG3 :: 2.450 HE1 :: 1.868 HE2 :: 1.868 HE3 :: 1.868 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.772 Ave N Shift Values>> N :: 120.09(3.57) 1.C96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 R 0.18 K 0.14 Y 0.14 C 0.13 I 0.07 L 0.06 G 0.02 C Shift Assignments>> C :: 173.332 CA :: 60.166 CB :: 42.625 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.121 HA :: 4.083 HB2 :: 3.536 HB3 :: 2.814 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 :: 119.421 Ave N Shift Values>> N :: 120.17(4.64) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 176.174 CA :: 67.347 CB :: 31.282 CG1 :: 23.450 CG2 :: 20.703 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 :: 8.309 HA :: 3.568 HB :: 2.220 HG11 :: 1.142 HG12 :: 1.142 HG13 :: 1.142 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 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 :: 120.609 Ave N Shift Values>> N :: 121.14(4.54) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.T74 1.T74 C Shift Assignments>> C :: 173.358 CA :: 66.417 CB :: 67.966 CG2 :: 21.595 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 :: 8.223 HA :: 3.858 HB :: 4.222 HG21 :: 1.211 HG22 :: 1.211 HG23 :: 1.211 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 :: 117.279 Ave N Shift Values>> N :: 115.42(4.75) 1.Q99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 R 0.41 K 0.11 Q 0.02 M 0.01 C Shift Assignments>> C :: 175.427 CA :: 57.951 CB :: 27.165 CG :: 31.057 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 :: 8.410 HA :: 3.490 HB2 :: 1.842 HB3 :: 1.525 HG2 :: 0.972(S) HG3 :: 0.834(S) HE21 :: 7.183 HE22 :: 6.419 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 :: 122.601 NE2 :: 114.398 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.49 C Shift Assignments>> C :: 176.281 CA :: 62.236 CB :: 37.021 CD1 :: 132.993 CE1 :: 117.263 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 :: 7.898 HA :: 4.210 HB2 :: 3.132 HB3 :: 2.744 HD1 :: 7.203 HD2 :: 7.203 HE1 :: 6.794 HE2 :: 6.794 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 :: 116.489 Ave N Shift Values>> N :: 120.52(4.2) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.26 K 0.2 R 0.13 E 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 175.801 CA :: 58.027 CB :: 27.703 CG :: 33.625 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 :: 8.318 HA :: 4.200 HB2 :: 2.291 HB3 :: 2.149 HG2 :: 2.598 HG3 :: 2.406 HE21 :: 7.476 HE22 :: 6.829 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 :: 121.115 NE2 :: 111.388 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.09 HN Overlap>> 1.R30 1.R30 C Shift Assignments>> C :: 176.121 CA :: 58.138 CB :: 31.758 CG :: 24.555 CD :: 28.892 CE :: 41.552 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 :: 8.123 HA :: 4.106 HB2 :: 1.907 HB3 :: 1.864 HG2 :: 1.571 HG3 :: 1.418 HD2 :: 1.592 HD3 :: 1.592 HE2 :: 2.894 HE3 :: 2.894 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 :: 120.068 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.23 Q 0.22 K 0.2 M 0.02 I 0.02 R 0.01 HN Overlap>> 1.Y107 1.Y107 C Shift Assignments>> C :: 175.040 CA :: 56.998 CB :: 29.126 CG :: 35.021 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 :: 8.004 HA :: 4.273 HB2 :: 2.317 HB3 :: 2.120 HG2 :: 2.433 HG3 :: 2.433 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 :: 118.851 Ave N Shift Values>> N :: 120.67(3.48) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.732 CA :: 59.338 CB :: 63.095 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.145 HA :: 4.438 HB2 :: 4.050 HB3 :: 4.030 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 :: 115.328 Ave N Shift Values>> N :: 116.28(3.52) 1.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.28 C 0.24 R 0.1 M 0.04 E 0.03 C Shift Assignments>> C :: 173.706 CA :: 56.346 CB :: 28.459 CG :: 33.434 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 :: 8.153 HA :: 4.275 HB2 :: 2.164 HB3 :: 2.106 HG2 :: 2.439 HG3 :: 2.469 HE21 :: 7.628 HE22 :: 6.893 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 :: 121.292 NE2 :: 112.707 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.19 C 0.01 HN Overlap>> 1.S114 1.S114 C Shift Assignments>> C :: 175.414 CA :: 52.835 CB :: 18.409 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.028 HA :: 4.259 HB1 :: 1.371 HB2 :: 1.371 HB3 :: 1.371 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.782 Ave N Shift Values>> N :: 123.23(3.54) 1.Y107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 HN Overlap>> 1.E103 1.E103 C Shift Assignments>> C :: 173.639 CA :: 58.218 CB :: 38.221 CD1 :: 133.371 CE1 :: 118.329 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 :: 7.996 HA :: 4.426 HB2 :: 2.983 HB3 :: 2.983 HD1 :: 6.961 HD2 :: 6.961 HE1 :: 6.788 HE2 :: 6.788 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 :: 118.874 Ave N Shift Values>> N :: 120.52(4.2) 1.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 173.266 CA :: 58.202 CB :: 38.245 CD1 :: 133.542 CE1 :: 118.439 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 :: 8.062 HA :: 4.417 HB2 :: 3.069 HB3 :: 2.981 HD1 :: 7.173 HD2 :: 7.173 HE1 :: 6.863 HE2 :: 6.863 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 :: 121.413 Ave N Shift Values>> N :: 120.52(4.2) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.25 L 0.14 F 0.1 Y 0.08 C 0.07 K 0.01 HN Overlap>> 1.L7 1.L7 C Shift Assignments>> C :: 174.092 CA :: 53.895 CB :: 40.161 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 :: 8.297 HA :: 4.512 HB2 :: 2.729 HB3 :: 2.729 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 :: 122.060 Ave N Shift Values>> N :: 120.65(3.86) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 171.730 CA :: 45.147 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.872 HA2 :: 3.925 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.400 Ave N Shift Values>> N :: 109.67(3.87) 1.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.34 K 0.13 G 0.03 L 0.01 C Shift Assignments>> C :: 173.665 CA :: 55.717 CB :: 30.203 CG :: 26.505 CD :: 42.912 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 :: 7.968 HA :: 4.328 HB2 :: 1.767 HB3 :: 1.856 HG2 :: 1.597 HG3 :: 1.585 HD2 :: 3.126 HD3 :: 3.126 HE :: 7.324 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 :: 120.099 NE :: 84.692 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.R112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.35 K 0.11 G 0.03 HN Overlap>> 1.V3 1.V3 C Shift Assignments>> C :: 173.678 CA :: 55.566 CB :: 30.587 CG :: 26.654 CD :: 42.855 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 :: 8.367 HA :: 4.409 HB2 :: 1.784 HB3 :: 1.903 HG2 :: 1.646 HG3 :: 1.611 HD2 :: 3.181 HD3 :: 3.181 HE :: 7.228 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 :: 122.213 NE :: 84.692 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.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.050 CA :: 57.897 CB :: 63.527 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.467 HA :: 4.515 HB2 :: 3.924 HB3 :: 3.887 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 :: 117.699 Ave N Shift Values>> N :: 116.28(3.52) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A106 1.A106 C Shift Assignments>> C :: 175.920 CA :: 59.526 CB :: 64.243 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.046 HA :: 4.296 HB2 :: 3.882 HB3 :: 3.882 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 :: 122.766 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 110 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 114 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 114 #Suspicious: 0 C Shift Results: #Consistent: 478 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 793 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 135 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G1 C = 167.435(S), Expected = 173.87, Std = 1.8800, ChiSquare = 6.1963e-04 1.R38 HG3 = 0.512(S), Expected = 1.54, Std = 0.2900, ChiSquare = 3.9287e-04 1.A57 HA = 2.131(S), Expected = 4.26, Std = 0.4400, ChiSquare = 1.3073e-06 1.Q99 HG2 = 0.972(S), Expected = 2.32, Std = 0.2700, ChiSquare = 5.9574e-07 1.Q99 HG3 = 0.834(S), Expected = 2.29, Std = 0.2900, ChiSquare = 5.1486e-07