Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.41 L 0.28 D 0.06 G 0.05 F 0.05 K 0.04 C 0.03 Y 0.03 C Shift Assignments>> CA :: 43.286 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.888 HA3 :: 3.888 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.P2 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 :: 175.857 CA :: 62.843 CB :: 32.268 CG :: 26.654 CD :: 49.659 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 :: 4.474 HB2 :: 1.464 HB3 :: 2.076 HG2 :: 1.324 HG3 :: 1.366 HD2 :: 3.326 HD3 :: 3.368 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.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.28 K 0.28 G 0.07 A 0.01 C Shift Assignments>> CA :: 53.618 CB :: 31.556 CG :: 24.358 CD :: 28.745 CE :: 43.155 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.952 HA :: 4.590 HB2 :: 1.764 HB3 :: 1.706 HG2 :: 1.496 HG3 :: 1.496 HD2 :: 1.693 HD3 :: 1.693 HE2 :: 3.030 HE3 :: 3.030 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.698 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.504 CA :: 64.544 CB :: 31.770 CG :: 27.890 CD :: 50.170 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 :: 3.944 HB2 :: 1.732 HB3 :: 1.806 HG2 :: 2.006 HG3 :: 2.151 HD2 :: 3.539 HD3 :: 3.797 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.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 174.146 CA :: 45.033 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.011 HA2 :: 3.736 HA3 :: 4.399 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.728 Ave N Shift Values>> N :: 109.67(3.87) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.24 K 0.16 F 0.1 Y 0.07 N 0.05 C 0.05 R 0.03 C Shift Assignments>> C :: 175.673 CA :: 54.918 CB :: 41.446 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 :: 8.468 HA :: 4.670 HB2 :: 2.986 HB3 :: 2.679 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 :: 121.776 Ave N Shift Values>> N :: 120.65(3.86) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 176.824 CA :: 59.601 CB :: 38.254 CG1 :: 27.783 CG2 :: 17.794 CD1 :: 12.433 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 :: 8.362 HA :: 5.331 HB :: 1.756 HG12 :: 1.630 HG13 :: 1.166 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 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 :: 121.570 Ave N Shift Values>> N :: 121.46(4.28) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.78 C 0.21 C Shift Assignments>> C :: 171.149 CA :: 55.529 CB :: 41.312 CD1 :: 132.314 CD2 :: 132.314 CE1 :: 131.229 CE2 :: 131.229 CZ :: 129.690 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.476 HA :: 5.072 HB2 :: 3.029 HB3 :: 3.029 HD1 :: 7.011 HD2 :: 7.011 HE1 :: 6.780 HE2 :: 6.780 HZ :: 7.249 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 :: 125.816 Ave N Shift Values>> N :: 120.45(4.18) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 E 0.13 C Shift Assignments>> C :: 175.995 CA :: 53.989 CB :: 33.428 CG :: 37.039 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 :: 8.490 HA :: 5.213 HB2 :: 1.854 HB3 :: 1.896 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 :: 118.961 Ave N Shift Values>> N :: 120.67(3.48) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.25 HN Overlap>> 1.K14 1.K14 C Shift Assignments>> C :: 173.221 CA :: 61.091 CB :: 36.766 CG1 :: 21.566 CG2 :: 22.672 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 :: 8.577 HA :: 4.137 HB :: 1.676 HG11 :: 0.836 HG12 :: 0.836 HG13 :: 0.836 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 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 :: 119.964 Ave N Shift Values>> N :: 121.14(4.54) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.45 K 0.01 I 0.01 Q 0.01 C Shift Assignments>> C :: 174.538 CA :: 54.862 CB :: 30.836 CG :: 37.115 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 :: 7.794 HA :: 4.955 HB2 :: 1.840 HB3 :: 1.791 HG2 :: 1.802 HG3 :: 1.802 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.219 Ave N Shift Values>> N :: 120.67(3.48) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.24 C 0.18 HN Overlap>> 1.V59 1.V59 C Shift Assignments>> C :: 173.916 CA :: 53.137 CB :: 46.126 CG :: 26.374 CD1 :: 26.160 CD2 :: 24.934 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 :: 8.848 HA :: 4.646 HB2 :: 1.270 HB3 :: 1.338 HG :: 1.366 HD11 :: 0.614 HD12 :: 0.614 HD13 :: 0.614 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 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 :: 126.212 Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 177.352 CA :: 49.920 CB :: 19.377 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.494 HA :: 5.095 HB1 :: 1.323 HB2 :: 1.323 HB3 :: 1.323 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.357 Ave N Shift Values>> N :: 123.23(3.54) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.38 K 0.11 HN Overlap>> 1.V10 1.V10 C Shift Assignments>> C :: 176.313 CA :: 57.762 CB :: 34.469 CG :: 27.422 CD :: 30.086 CE :: 42.009 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 :: 8.496 HA :: 3.752 HB2 :: 1.769 HB3 :: 1.769 HG2 :: 0.815 HG3 :: 0.815 HD2 :: 1.482 HD3 :: 1.258 HE2 :: 3.039 HE3 :: 3.039 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 :: 120.000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.28 L 0.15 F 0.05 C 0.05 Y 0.04 K 0.02 HN Overlap>> 1.T78 1.T78 C Shift Assignments>> CA :: 52.487 CB :: 40.684 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 :: 8.079 HA :: 4.917 HB2 :: 2.788 HB3 :: 2.863 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 :: 117.473 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.19 F 0.19 D 0.18 N 0.17 C 0.12 L 0.09 I 0.02 C Shift Assignments>> C :: 175.515 CA :: 55.520 CB :: 39.303 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>> HA :: 4.259 HB2 :: 2.907 HB3 :: 2.538 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) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.14 C 0.13 Y 0.13 F 0.11 L 0.04 E 0.02 I 0.01 C Shift Assignments>> C :: 174.550 CA :: 54.349 CB :: 38.455 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 :: 8.959 HA :: 4.232 HB2 :: 2.791 HB3 :: 3.127 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 :: 110.160 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.519 CB :: 65.053 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.892 HA :: 4.976 HB2 :: 3.787 HB3 :: 3.930 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.013 Ave N Shift Values>> N :: 116.28(3.52) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.53 C 0.27 R 0.12 G 0.05 C Shift Assignments>> C :: 176.996 CA :: 55.945 CB :: 43.178 CG :: 26.922 CD1 :: 25.872 CD2 :: 23.516 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>> HA :: 4.256 HB2 :: 1.810 HB3 :: 1.413 HG :: 1.595 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 HD21 :: 0.666 HD22 :: 0.666 HD23 :: 0.666 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) 1.G20 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 :: 176.218 CA :: 46.868 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.804 HA2 :: 3.879 HA3 :: 4.185 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.651 Ave N Shift Values>> N :: 109.67(3.87) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.39 G 0.02 C Shift Assignments>> C :: 175.987 CA :: 59.795 CB :: 42.334 CG1 :: 25.949 CG2 :: 18.683 CD1 :: 13.094 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 :: 7.775 HA :: 4.842 HB :: 1.476 HG12 :: 1.420 HG13 :: 1.420 HG21 :: 0.670 HG22 :: 0.670 HG23 :: 0.670 HD11 :: 0.510 HD12 :: 0.510 HD13 :: 0.510 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.348 Ave N Shift Values>> N :: 121.46(4.28) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.25 E 0.18 Y 0.07 F 0.05 K 0.03 D 0.01 Q 0.01 C Shift Assignments>> C :: 176.187 CA :: 53.779 CB :: 36.527 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.533 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 :: 123.503 Ave N Shift Values>> N :: 120.17(4.64) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.07 C Shift Assignments>> C :: 174.219 CA :: 59.422 CB :: 35.094 CG1 :: 21.166 CG2 :: 17.525 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 :: 7.720 HA :: 5.448 HB :: 2.034 HG11 :: 0.479 HG12 :: 0.479 HG13 :: 0.479 HG21 :: 0.487 HG22 :: 0.487 HG23 :: 0.487 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 :: 114.882 Ave N Shift Values>> N :: 121.14(4.54) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 C 0.45 A 0.03 C Shift Assignments>> C :: 171.649 CA :: 59.560 CB :: 70.573 CG2 :: 18.981 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 :: 9.175 HA :: 4.691 HB :: 3.898 HG21 :: 1.099 HG22 :: 1.099 HG23 :: 1.099 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.462 Ave N Shift Values>> N :: 115.42(4.75) 1.G25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.216 CA :: 44.664 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.323 HA2 :: 4.083 HA3 :: 5.291(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.734 Ave N Shift Values>> N :: 109.67(3.87) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.3 G 0.16 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 176.306 CA :: 43.770 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.541 HA2 :: 3.742 HA3 :: 4.580 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.524 Ave N Shift Values>> N :: 109.67(3.87) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 175.716 CA :: 63.894 CB :: 31.963 CG1 :: 21.180 CG2 :: 19.900 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 :: 8.055 HA :: 4.128 HB :: 2.073 HG11 :: 0.907 HG12 :: 0.907 HG13 :: 0.907 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.903 Ave N Shift Values>> N :: 121.14(4.54) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.14 Y 0.08 D 0.08 F 0.07 E 0.04 L 0.02 C Shift Assignments>> C :: 174.846 CA :: 53.480 CB :: 37.754 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 :: 8.779 HA :: 4.803 HB2 :: 2.887 HB3 :: 3.073 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 :: 117.840 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 61.624 CB :: 70.939 CG2 :: 21.391 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 :: 7.857 HA :: 4.690 HB :: 4.429 HG21 :: 1.098 HG22 :: 1.098 HG23 :: 1.098 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 :: 111.408 Ave N Shift Values>> N :: 115.42(4.75) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.867 CA :: 58.369 CB :: 63.547 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.438 HA :: 4.537 HB2 :: 3.889 HB3 :: 4.014 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 :: 113.816 Ave N Shift Values>> N :: 116.28(3.52) 1.V31 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 :: 176.528 CA :: 62.070 CB :: 32.507 CG1 :: 21.270 CG2 :: 20.414 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 :: 7.567 HA :: 4.098 HB :: 2.134 HG11 :: 0.966 HG12 :: 0.966 HG13 :: 0.966 HG21 :: 1.061 HG22 :: 1.061 HG23 :: 1.061 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 :: 118.013 Ave N Shift Values>> N :: 121.14(4.54) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.36 K 0.2 L 0.02 G 0.01 C Shift Assignments>> CA :: 58.009 CB :: 29.571 CG :: 26.712 CD :: 42.437 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 :: 8.501 HA :: 4.007 HB2 :: 1.556 HB3 :: 1.649 HG2 :: 1.114 HG3 :: 1.350 HD2 :: 2.866 HD3 :: 2.758 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 :: 124.719 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.18 K 0.18 H 0.15 E 0.15 C 0.14 R 0.12 I 0.02 L 0.01 C Shift Assignments>> C :: 175.064 CA :: 56.814 CB :: 29.091 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>> HA :: 4.577 HB2 :: 3.367 HB3 :: 3.244 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) 1.G34 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 :: 174.616 CA :: 46.594 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.469 HA2 :: 3.766 HA3 :: 3.904 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.357 Ave N Shift Values>> N :: 109.67(3.87) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.518 CA :: 44.641 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.787 HA2 :: 3.374 HA3 :: 3.921 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.989 Ave N Shift Values>> N :: 109.67(3.87) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 A 0.06 I 0.01 C Shift Assignments>> C :: 174.616 CA :: 56.955 CB :: 35.618 CG1 :: 25.766 CG2 :: 16.372 CD1 :: 8.786 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 :: 8.362 HA :: 4.746 HB :: 2.076 HG12 :: 1.733 HG13 :: 1.057 HG21 :: 0.510 HG22 :: 0.510 HG23 :: 0.510 HD11 :: 0.453 HD12 :: 0.453 HD13 :: 0.453 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 :: 119.808 Ave N Shift Values>> N :: 121.46(4.28) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.25 G 0.03 C Shift Assignments>> C :: 176.069 CA :: 55.959 CB :: 42.436 CD1 :: 133.656 CD2 :: 133.656 CE1 :: 117.486 CE2 :: 117.486 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 :: 8.904 HA :: 5.268 HB2 :: 2.434 HB3 :: 2.630 HD1 :: 6.928 HD2 :: 6.928 HE1 :: 6.816 HE2 :: 6.816 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 :: 123.168 Ave N Shift Values>> N :: 120.52(4.2) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 175.886 CA :: 64.084 CB :: 31.444 CG1 :: 21.774 CG2 :: 20.949 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 :: 9.230 HA :: 3.799 HB :: 2.266 HG11 :: 0.610 HG12 :: 0.610 HG13 :: 0.610 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 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 :: 120.273 Ave N Shift Values>> N :: 121.14(4.54) 1.K39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> K 0.46 C 0.42 R 0.1 C Shift Assignments>> C :: 174.763 CA :: 56.536 CB :: 34.539 CG :: 24.670 CD :: 29.689 CE :: 42.166 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 :: 9.584 HA :: 4.389 HB2 :: 1.398 HB3 :: 1.629 HG2 :: 1.386 HG3 :: 1.252 HD2 :: 1.658 HD3 :: 1.575 HE2 :: 2.975 HE3 :: 2.975 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 133.619(S) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 L 0.36 C 0.1 K 0.01 C Shift Assignments>> C :: 174.686 CA :: 51.897 CB :: 22.245 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.584 HA :: 4.504 HB1 :: 1.342 HB2 :: 1.342 HB3 :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.459 Ave N Shift Values>> N :: 123.23(3.54) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 HN Overlap>> 1.K55 1.K55 C Shift Assignments>> C :: 175.714 CA :: 61.149 CB :: 32.506 CG1 :: 21.791 CG2 :: 20.486 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 :: 8.747 HA :: 4.379 HB :: 2.001 HG11 :: 0.746 HG12 :: 0.746 HG13 :: 0.746 HG21 :: 0.715 HG22 :: 0.715 HG23 :: 0.715 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 :: 120.599 Ave N Shift Values>> N :: 121.14(4.54) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 C Shift Assignments>> CA :: 58.826 CB :: 38.216 CG1 :: 27.522 CG2 :: 16.186 CD1 :: 11.573 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 :: 7.827 HA :: 4.127 HB :: 1.682 HG12 :: 1.424 HG13 :: 1.132 HG21 :: 0.959 HG22 :: 0.959 HG23 :: 0.959 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.775 Ave N Shift Values>> N :: 121.46(4.28) 1.P43 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 :: 177.234 CA :: 64.177 CB :: 31.801 CG :: 27.879 CD :: 51.861 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 :: 4.475 HB2 :: 1.877 HB3 :: 2.403 HG2 :: 2.005 HG3 :: 2.144 HD2 :: 4.096 HD3 :: 3.599 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.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.15 Q 0.12 E 0.08 I 0.08 R 0.04 C Shift Assignments>> C :: 175.628 CA :: 58.141 CB :: 26.441 CG :: 35.113 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.388 HA :: 3.848 HB2 :: 2.299 HB3 :: 2.379 HG2 :: 2.252 HG3 :: 2.342 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 :: 116.932 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.404 CA :: 44.658 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.875 HA2 :: 4.311 HA3 :: 3.846 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.131 Ave N Shift Values>> N :: 109.67(3.87) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 C 0.05 I 0.05 V 0.01 C Shift Assignments>> C :: 180.673 CA :: 55.045 CB :: 18.508 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.017 HA :: 4.051 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.011 Ave N Shift Values>> N :: 123.23(3.54) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 C 0.05 I 0.04 HN Overlap>> 1.T97 1.A61 1.T97 1.A61 C Shift Assignments>> C :: 180.699 CA :: 54.917 CB :: 18.630 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.754 HA :: 4.068 HB1 :: 1.265 HB2 :: 1.265 HB3 :: 1.265 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.848 Ave N Shift Values>> N :: 123.23(3.54) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 I 0.29 E 0.23 K 0.01 C Shift Assignments>> C :: 178.174 CA :: 59.909 CB :: 29.759 CG :: 37.451 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 :: 9.317 HA :: 3.823 HB2 :: 1.908 HB3 :: 1.908 HG2 :: 2.145 HG3 :: 2.145 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.400 Ave N Shift Values>> N :: 120.67(3.48) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.693 CA :: 61.233 CB :: 62.780 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.115 HA :: 4.100 HB2 :: 3.903 HB3 :: 3.903 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 :: 113.388 Ave N Shift Values>> N :: 116.28(3.52) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 L 0.25 G 0.23 C 0.08 F 0.06 Y 0.04 D 0.03 C Shift Assignments>> C :: 177.650 CA :: 57.214 CB :: 44.241 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 :: 7.609 HA :: 4.378 HB2 :: 2.578 HB3 :: 2.672 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 :: 120.047 Ave N Shift Values>> N :: 120.65(3.86) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.977 CA :: 46.352 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.372 HA2 :: 3.885 HA3 :: 4.093 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.979 Ave N Shift Values>> N :: 109.67(3.87) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.28 G 0.16 K 0.03 HN Overlap>> 1.T78 1.T78 C Shift Assignments>> C :: 175.886 CA :: 57.894 CB :: 33.246 CG :: 27.333 CD :: 43.995 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 :: 7.966 HA :: 4.314 HB2 :: 2.024 HB3 :: 2.024 HG2 :: 1.797 HG3 :: 1.797 HD2 :: 3.405 HD3 :: 3.127 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 :: 117.579 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.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 173.773 CA :: 61.405 CB :: 39.641 CG1 :: 28.273 CG2 :: 17.926 CD1 :: 14.871 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 :: 8.225 HA :: 4.236 HB :: 1.379 HG12 :: 1.731 HG13 :: 0.884 HG21 :: 0.732 HG22 :: 0.732 HG23 :: 0.732 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 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 :: 120.155 Ave N Shift Values>> N :: 121.46(4.28) 1.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 H 0.48 C Shift Assignments>> C :: 173.696 CA :: 54.844 CB :: 33.566 CD2 :: 120.953 CE1 :: 137.614 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.061 HA :: 4.790 HB2 :: 2.898 HB3 :: 3.283 HD2 :: 7.348 HE1 :: 8.065 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 :: 123.751 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.05 HN Overlap>> 1.V41 1.V41 C Shift Assignments>> C :: 176.916 CA :: 58.304 CB :: 32.421 CG :: 24.500 CD :: 29.749 CE :: 42.072 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 :: 8.670 HA :: 3.626 HB2 :: 1.701 HB3 :: 1.701 HG2 :: 1.442 HG3 :: 1.276 HD2 :: 1.749 HD3 :: 1.749 HE2 :: 3.042 HE3 :: 3.042 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 :: 120.590 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.438 CA :: 44.762 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.201 HA2 :: 3.627 HA3 :: 4.641 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.645 Ave N Shift Values>> N :: 109.67(3.87) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.21 F 0.15 K 0.14 Y 0.12 C 0.07 N 0.04 R 0.01 I 0.01 C Shift Assignments>> C :: 174.623 CA :: 55.836 CB :: 41.083 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 :: 8.058 HA :: 4.887 HB2 :: 2.689 HB3 :: 2.589 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 :: 121.982 Ave N Shift Values>> N :: 120.65(3.86) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 G 0.33 R 0.21 K 0.01 C Shift Assignments>> C :: 175.573 CA :: 54.521 CB :: 33.701 CG :: 27.562 CD :: 44.239 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 :: 9.078 HA :: 4.615 HB2 :: 1.737 HB3 :: 1.643 HG2 :: 0.758 HG3 :: 0.891 HD2 :: 3.020 HD3 :: 2.836 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.240 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.V59 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.L12 1.L12 C Shift Assignments>> C :: 174.458 CA :: 62.203 CB :: 30.998 CG1 :: 22.481 CG2 :: 19.995 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 :: 8.897 HA :: 3.863 HB :: 1.691 HG11 :: 0.541 HG12 :: 0.541 HG13 :: 0.541 HG21 :: 0.488 HG22 :: 0.488 HG23 :: 0.488 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 :: 126.202 Ave N Shift Values>> N :: 121.14(4.54) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.3 R 0.14 A 0.05 G 0.02 C Shift Assignments>> C :: 178.289 CA :: 56.054 CB :: 42.612 CG :: 27.130 CD1 :: 25.915 CD2 :: 21.986 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.213 HA :: 4.296 HB2 :: 1.485 HB3 :: 1.340 HG :: 1.412 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.627 HD22 :: 0.627 HD23 :: 0.627 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 :: 127.163 Ave N Shift Values>> N :: 121.86(3.9) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 L 0.35 C 0.1 K 0.01 HN Overlap>> 1.A47 1.T97 1.A47 1.T97 C Shift Assignments>> C :: 175.288 CA :: 52.279 CB :: 22.096 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.741 HA :: 4.954 HB1 :: 1.075 HB2 :: 1.075 HB3 :: 1.075 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.886 Ave N Shift Values>> N :: 123.23(3.54) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 175.323 CA :: 60.418 CB :: 34.050 CG1 :: 20.803 CG2 :: 20.641 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 :: 8.256 HA :: 4.450 HB :: 1.716 HG11 :: 0.663 HG12 :: 0.663 HG13 :: 0.663 HG21 :: 0.595 HG22 :: 0.595 HG23 :: 0.595 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 :: 119.929 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>> N 0.35 C 0.23 E 0.16 Y 0.1 F 0.06 D 0.03 K 0.02 C Shift Assignments>> C :: 175.197 CA :: 54.168 CB :: 36.896 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 :: 10.392 HA :: 4.545 HB2 :: 2.986 HB3 :: 3.192 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 :: 128.933 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.872 CA :: 45.171 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.085 HA2 :: 3.506 HA3 :: 4.042 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.413 Ave N Shift Values>> N :: 109.67(3.87) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.645 CA :: 62.136 CB :: 31.640 CG1 :: 20.694 CG2 :: 21.063 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 :: 8.028 HA :: 3.948 HB :: 2.188 HG11 :: 0.868 HG12 :: 0.868 HG13 :: 0.868 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 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 :: 123.643 Ave N Shift Values>> N :: 121.14(4.54) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.388 CA :: 58.342 CB :: 63.562 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.647 HA :: 4.334 HB2 :: 3.807 HB3 :: 4.057 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 :: 120.923 Ave N Shift Values>> N :: 116.28(3.52) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.21 A 0.14 C Shift Assignments>> C :: 176.462 CA :: 53.732 CB :: 40.890 CG :: 26.847 CD1 :: 25.568 CD2 :: 22.424 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 :: 8.292 HA :: 4.438 HB2 :: 1.644 HB3 :: 1.407 HG :: 1.455 HD11 :: 0.593 HD12 :: 0.593 HD13 :: 0.593 HD21 :: 0.641 HD22 :: 0.641 HD23 :: 0.641 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.116 Ave N Shift Values>> N :: 121.86(3.9) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.12 I 0.11 Q 0.08 C Shift Assignments>> C :: 177.767 CA :: 58.571 CB :: 29.052 CG :: 35.859 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 :: 8.305 HA :: 4.035 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 2.179 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 :: 123.552 Ave N Shift Values>> N :: 120.67(3.48) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.618 CA :: 45.396 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.977 HA2 :: 3.689 HA3 :: 4.097 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.496 Ave N Shift Values>> N :: 109.67(3.87) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 L 0.01 C Shift Assignments>> C :: 179.820 CA :: 52.415 CB :: 19.638 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.807 HA :: 4.502 HB1 :: 1.367 HB2 :: 1.367 HB3 :: 1.367 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.999 Ave N Shift Values>> N :: 123.23(3.54) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 174.717 CA :: 60.692 CB :: 71.274 CG2 :: 21.998 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 :: 8.222 HA :: 4.515 HB :: 4.778 HG21 :: 1.302 HG22 :: 1.302 HG23 :: 1.302 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 :: 111.294 Ave N Shift Values>> N :: 115.42(4.75) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 H 0.27 C Shift Assignments>> C :: 176.702 CA :: 61.983 CB :: 30.047 CD2 :: 119.213 CE1 :: 136.353 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.217 HA :: 3.860 HB2 :: 3.652 HB3 :: 3.069 HD2 :: 7.139 HE1 :: 8.016 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 :: 121.871 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.11 C Shift Assignments>> C :: 178.288 CA :: 59.350 CB :: 32.811 CG :: 25.218 CD :: 29.669 CE :: 42.231 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 :: 8.429 HA :: 3.824 HB2 :: 1.928 HB3 :: 1.827 HG2 :: 1.478 HG3 :: 1.642 HD2 :: 1.732 HD3 :: 1.732 HE2 :: 3.082 HE3 :: 3.082 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 :: 116.941 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.23 E 0.08 R 0.05 I 0.03 C Shift Assignments>> C :: 179.732 CA :: 58.599 CB :: 28.351 CG :: 34.130 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 :: 7.660 HA :: 3.869 HB2 :: 2.224 HB3 :: 1.933 HG2 :: 2.219 HG3 :: 2.364 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 :: 116.915 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 C 0.09 I 0.08 V 0.02 L 0.01 C Shift Assignments>> C :: 179.078 CA :: 55.566 CB :: 18.851 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.379 HA :: 3.788 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 :: 122.673 Ave N Shift Values>> N :: 123.23(3.54) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.14 C Shift Assignments>> CA :: 65.895 CB :: 30.691 CG1 :: 22.131 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 :: 8.239 HA :: 3.505 HB :: 1.328 HG11 :: 0.143 HG12 :: 0.143 HG13 :: 0.143 HG21 :: 0.266 HG22 :: 0.266 HG23 :: 0.266 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 :: 112.831 Ave N Shift Values>> N :: 121.14(4.54) 1.C77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.36 I 0.17 E 0.16 V 0.09 Y 0.09 F 0.04 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.150 CA :: 60.391 CB :: 35.782 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) 1.T78 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.N15 1.N15 1.R52 1.R52 C Shift Assignments>> C :: 176.460 CA :: 67.123 CB :: 68.123 CG2 :: 20.941 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 :: 8.015 HA :: 3.858 HB :: 4.212 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 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 :: 117.507 Ave N Shift Values>> N :: 115.42(4.75) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.42 R 0.05 C Shift Assignments>> CA :: 58.190 CB :: 42.072 CG :: 27.434 CD1 :: 25.115 CD2 :: 24.033 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 :: 7.984 HA :: 3.750 HB2 :: 1.706 HB3 :: 1.366 HG :: 1.504 HD11 :: 0.573 HD12 :: 0.573 HD13 :: 0.573 HD21 :: 0.612 HD22 :: 0.612 HD23 :: 0.612 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 :: 119.666 Ave N Shift Values>> N :: 121.86(3.9) 1.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.45 C 0.43 K 0.06 G 0.03 C Shift Assignments>> C :: 177.750 CA :: 58.307 CB :: 30.092 CG :: 27.079 CD :: 43.033 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>> HA :: 4.197 HB2 :: 2.057 HB3 :: 2.057 HG2 :: 1.780 HG3 :: 1.780 HD2 :: 3.283 HD3 :: 3.224 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) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.14 D 0.07 Y 0.07 F 0.05 E 0.04 L 0.01 C Shift Assignments>> C :: 174.819 CA :: 53.113 CB :: 37.668 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 :: 7.648 HA :: 4.984 HB2 :: 2.750 HB3 :: 2.975 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 :: 119.843 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 C 0.49 C Shift Assignments>> C :: 175.114 CA :: 59.944 CB :: 72.611 CG2 :: 22.348 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 :: 7.668 HA :: 4.447 HB :: 4.268 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 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 :: 109.907 Ave N Shift Values>> N :: 115.42(4.75) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 173.467 CA :: 44.092 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.421 HA2 :: 3.772 HA3 :: 4.394 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.505 Ave N Shift Values>> N :: 109.67(3.87) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.27 Q 0.27 E 0.07 R 0.04 I 0.01 C Shift Assignments>> C :: 175.254 CA :: 58.443 CB :: 28.973 CG :: 33.792 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 :: 8.224 HA :: 3.963 HB2 :: 2.054 HB3 :: 2.124 HG2 :: 2.466 HG3 :: 2.466 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 :: 117.276 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.879 CA :: 61.298 CB :: 33.130 CG1 :: 21.223 CG2 :: 21.151 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 :: 7.699 HA :: 4.654 HB :: 1.817 HG11 :: 0.678 HG12 :: 0.678 HG13 :: 0.678 HG21 :: 0.854 HG22 :: 0.854 HG23 :: 0.854 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 :: 116.186 Ave N Shift Values>> N :: 121.14(4.54) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 173.365 CA :: 60.965 CB :: 34.987 CG1 :: 22.267 CG2 :: 22.692 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 :: 9.043 HA :: 4.447 HB :: 1.826 HG11 :: 0.820 HG12 :: 0.820 HG13 :: 0.820 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 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 :: 128.499 Ave N Shift Values>> N :: 121.14(4.54) 1.H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.56 C 0.43 C Shift Assignments>> C :: 174.387 CA :: 55.802 CB :: 31.179 CD2 :: 119.707 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 :: 8.855 HA :: 4.996 HB2 :: 3.122 HB3 :: 3.122 HD2 :: 6.974 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 :: 126.357 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 A 0.17 C 0.12 L 0.12 C Shift Assignments>> C :: 173.365 CA :: 53.494 CB :: 45.187 CG :: 26.083 CD1 :: 21.894 CD2 :: 25.193 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.016 HA :: 4.960 HB2 :: 1.020 HB3 :: 1.595 HG :: 1.452 HD11 :: 0.606 HD12 :: 0.606 HD13 :: 0.606 HD21 :: 0.684 HD22 :: 0.684 HD23 :: 0.684 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 :: 126.780 Ave N Shift Values>> N :: 121.86(3.9) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.27 C 0.14 A 0.01 C Shift Assignments>> C :: 175.213 CA :: 53.661 CB :: 45.391 CG :: 27.196 CD1 :: 23.896 CD2 :: 25.340 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 :: 7.965 HA :: 4.721 HB2 :: 1.740 HB3 :: 1.223 HG :: 1.271 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 HD21 :: 0.740 HD22 :: 0.740 HD23 :: 0.740 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 :: 124.435 Ave N Shift Values>> N :: 121.86(3.9) 1.L90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.62 C 0.3 L 0.06 C Shift Assignments>> C :: 173.560 CA :: 54.088 CB :: 45.956 CG :: 27.094 CD1 :: 27.363 CD2 :: 27.016 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 :: 8.909 HA :: 5.283 HB2 :: 0.194(S) HB3 :: 0.965 HG :: 1.160 HD11 :: 0.399 HD12 :: 0.399 HD13 :: 0.399 HD21 :: 0.614 HD22 :: 0.614 HD23 :: 0.614 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 :: 127.444 Ave N Shift Values>> N :: 121.86(3.9) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 E 0.1 C Shift Assignments>> C :: 176.652 CA :: 53.787 CB :: 33.846 CG :: 36.551 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 :: 8.813 HA :: 5.062 HB2 :: 1.995 HB3 :: 1.793 HG2 :: 2.036 HG3 :: 1.921 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 :: 118.954 Ave N Shift Values>> N :: 120.67(3.48) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.14 C Shift Assignments>> C :: 178.000 CA :: 56.262 CB :: 32.071 CG :: 23.459 CD :: 28.921 CE :: 41.788 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 :: 9.362 HA :: 4.387 HB2 :: 2.323 HB3 :: 2.323 HG2 :: 1.203 HG3 :: 1.637 HD2 :: 1.329 HD3 :: 1.329 HE2 :: 2.749 HE3 :: 2.749 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.055 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.147 CA :: 45.173 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.698 HA2 :: 3.822 HA3 :: 4.378 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.893 Ave N Shift Values>> N :: 109.67(3.87) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.29 C 0.26 E 0.05 R 0.02 C Shift Assignments>> C :: 175.942 CA :: 55.514 CB :: 29.688 CG :: 33.614 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 :: 8.252 HA :: 4.262 HB2 :: 1.900 HB3 :: 2.121 HG2 :: 2.374 HG3 :: 2.374 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 :: 116.797 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.588 CB :: 63.194 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.377 HA :: 4.658 HB2 :: 3.772 HB3 :: 3.819 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 :: 118.117 Ave N Shift Values>> N :: 116.28(3.52) 1.P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.291 CA :: 63.511 CB :: 31.953 CG :: 27.188 CD :: 50.756 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 :: 4.477 HB2 :: 1.967 HB3 :: 2.217 HG2 :: 1.969 HG3 :: 1.969 HD2 :: 3.695 HD3 :: 3.763 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.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.A47 1.A47 1.A61 1.A61 C Shift Assignments>> CA :: 63.091 CB :: 70.775 CG2 :: 21.998 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 :: 7.735 HA :: 4.072 HB :: 4.160 HG21 :: 1.098 HG22 :: 1.098 HG23 :: 1.098 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 :: 118.951 Ave N Shift Values>> N :: 115.42(4.75) 2.33B1 Overall Status: Residue type 33B not supported. ########################################################################### Overall Results: #Consistent: 94 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 97 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 97 #Suspicious: 0 C Shift Results: #Consistent: 391 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 626 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 86 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.G25 HA3 = 5.291(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.7028e-04 1.K39 N = 133.619(S), Expected = 121.05, Std = 3.7700, ChiSquare = 8.5621e-04 1.L90 HB2 = 0.194(S), Expected = 1.61, Std = 0.3400, ChiSquare = 3.1175e-05