Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.DG1 Overall Status: Residue type DG not supported. 1.DA2 Overall Status: Residue type DA not supported. 1.DA3 Overall Status: Residue type DA not supported. 1.DT4 Overall Status: Residue type DT not supported. 1.DT5 Overall Status: Residue type DT not supported. 1.DG6 Overall Status: Residue type DG not supported. 1.DT7 Overall Status: Residue type DT not supported. 1.DA8 Overall Status: Residue type DA not supported. 1.DA9 Overall Status: Residue type DA not supported. 1.DG10 Overall Status: Residue type DG not supported. 1.DC11 Overall Status: Residue type DC not supported. 1.DG12 Overall Status: Residue type DG not supported. 1.DC13 Overall Status: Residue type DC not supported. 1.DT14 Overall Status: Residue type DT not supported. 1.DT15 Overall Status: Residue type DT not supported. 1.DA16 Overall Status: Residue type DA not supported. 1.DC17 Overall Status: Residue type DC not supported. 1.DA18 Overall Status: Residue type DA not supported. 1.DA19 Overall Status: Residue type DA not supported. 1.DT20 Overall Status: Residue type DT not supported. 1.DT21 Overall Status: Residue type DT not supported. 1.DC22 Overall Status: Residue type DC not supported. 2.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.627 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 :: 125.570 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.72 P 0.23 G 0.03 C Shift Assignments>> C :: 176.599 CA :: 62.958 CB :: 32.301 CG :: 25.080 CD :: 48.500 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 :: 4.564 HB2 :: 1.968 HB3 :: 2.414 HG2 :: 2.161 HG3 :: 2.049 HD2 :: 3.921 HD3 :: 3.804 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) 2.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 HN Overlap>> 2.K59 2.K59 C Shift Assignments>> C :: 176.987 CA :: 62.893 CB :: 32.801 CG1 :: 19.905 CG2 :: 18.670 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 :: 8.099 HA :: 4.328 HB :: 2.211 HG11 :: 1.147 HG12 :: 1.147 HG13 :: 1.147 HG21 :: 1.228 HG22 :: 1.228 HG23 :: 1.228 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 :: 120.569 Ave N Shift Values>> N :: 121.14(4.54) 2.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 A 0.01 T 0.01 C Shift Assignments>> C :: 176.500 CA :: 60.578 CB :: 74.285 CG2 :: 18.300 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 :: 9.569 HA :: 5.272 HB :: 4.950 HG21 :: 1.635 HG22 :: 1.635 HG23 :: 1.635 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 :: 118.160 Ave N Shift Values>> N :: 115.42(4.75) 2.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 L 0.25 C Shift Assignments>> C :: 178.299 CA :: 58.304 CB :: 40.640 CG :: 24.712 CD1 :: 22.478 CD2 :: 24.712 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 :: 10.156 HA :: 3.432 HB2 :: 1.581 HB3 :: 1.683 HG :: 1.597 HD11 :: 0.719 HD12 :: 0.719 HD13 :: 0.719 HD21 :: 0.691 HD22 :: 0.691 HD23 :: 0.691 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 :: 121.543 Ave N Shift Values>> N :: 121.86(3.9) 2.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 Y 0.21 C Shift Assignments>> C :: 178.538 CA :: 61.716 CB :: 37.497 CD1 :: 131.027 CE1 :: 116.053 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 :: 7.774 HA :: 4.086 HB2 :: 2.835 HB3 :: 3.151 HD1 :: 7.329 HE1 :: 6.950 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 :: 117.849 Ave N Shift Values>> N :: 120.52(4.2) 2.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 Y 0.22 L 0.17 C 0.12 D 0.09 I 0.05 R 0.04 C Shift Assignments>> C :: 178.951 CA :: 58.007 CB :: 41.410 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 :: 7.364 HA :: 4.483 HB2 :: 2.726 HB3 :: 3.087 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 :: 119.821 Ave N Shift Values>> N :: 120.65(3.86) 2.V9 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 :: 176.522 CA :: 66.032 CB :: 31.467 CG1 :: 19.190 CG2 :: 20.750 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 :: 7.321 HA :: 3.258 HB :: 1.750 HG11 :: 0.389 HG12 :: 0.389 HG13 :: 0.389 HG21 :: 0.722 HG22 :: 0.722 HG23 :: 0.722 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 :: 119.007 Ave N Shift Values>> N :: 121.14(4.54) 2.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.4 I 0.02 C 0.01 C Shift Assignments>> C :: 179.221 CA :: 54.739 CB :: 17.707 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.290 HA :: 3.559 HB1 :: 1.478 HB2 :: 1.478 HB3 :: 1.478 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.114 Ave N Shift Values>> N :: 123.23(3.54) 2.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.27 Q 0.24 M 0.05 R 0.03 E 0.03 I 0.01 HN Overlap>> 2.Q26 2.Q26 C Shift Assignments>> C :: 178.883 CA :: 58.998 CB :: 29.431 CG :: 33.280 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 :: 7.843 HA :: 4.152 HB2 :: 2.226 HB3 :: 2.226 HG2 :: 2.483 HG3 :: 2.395 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.721 Ave N Shift Values>> N :: 120.67(3.48) 2.Y12 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 177.642 CA :: 60.922 CB :: 39.487 CG :: 175.115(A) CD1 :: 130.468 CE1 :: 115.374 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 :: 7.873 HA :: 4.182 HB2 :: 3.267 HB3 :: 3.056 HD1 :: 7.116 HE1 :: 6.878 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 :: 120.380 Ave N Shift Values>> N :: 120.52(4.2) 2.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.05 C 0.02 L 0.01 C Shift Assignments>> C :: 176.626 CA :: 52.132 CB :: 19.779 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.408 HA :: 4.395 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 :: 117.017 Ave N Shift Values>> N :: 123.23(3.54) 2.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 175.248 CA :: 46.952 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.996 HA2 :: 3.999 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.593 Ave N Shift Values>> N :: 109.67(3.87) 2.V15 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 I 0.13 A 0.02 C Shift Assignments>> C :: 173.553 CA :: 58.387 CB :: 35.424 CG1 :: 16.063(S) CG2 :: 18.441 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 :: 7.935 HA :: 5.051 HB :: 2.346 HG11 :: 0.746 HG12 :: 0.746 HG13 :: 0.746 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 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 :: 110.430 Ave N Shift Values>> N :: 121.14(4.54) 2.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 S 0.05 C Shift Assignments>> C :: 177.289 CA :: 57.873 CB :: 68.269 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.643 HA :: 4.948 HB2 :: 4.235 HB3 :: 4.214 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 :: 113.548 Ave N Shift Values>> N :: 116.28(3.52) 2.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.43 I 0.01 C Shift Assignments>> C :: 177.021 CA :: 66.882 CB :: 31.704 CG1 :: 20.310 CG2 :: 17.028 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 :: 9.028 HA :: 3.594 HB :: 1.935 HG11 :: 0.790 HG12 :: 0.790 HG13 :: 0.790 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 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 :: 113.639 Ave N Shift Values>> N :: 121.14(4.54) 2.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.31 C 0.05 I 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 179.322 CA :: 55.013 CB :: 19.255 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.335 HA :: 4.117 HB1 :: 1.305 HB2 :: 1.305 HB3 :: 1.305 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.860 Ave N Shift Values>> N :: 123.23(3.54) 2.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 T 0.48 C Shift Assignments>> C :: 175.719 CA :: 67.389 CB :: 65.789 CG2 :: 22.200 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 :: 6.996 HA :: 4.331 HB :: 4.085 HG21 :: 1.135 HG22 :: 1.135 HG23 :: 1.135 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 :: 115.828 Ave N Shift Values>> N :: 115.42(4.75) 2.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 176.554 CA :: 67.657 CB :: 30.868 CG1 :: 19.442 CG2 :: 19.442 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 :: 7.288 HA :: 3.411 HB :: 1.990 HG11 :: 0.774 HG12 :: 0.774 HG13 :: 0.774 HG21 :: 0.818 HG22 :: 0.818 HG23 :: 0.818 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 :: 119.314 Ave N Shift Values>> N :: 121.14(4.54) 2.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.570 CA :: 61.361 CB :: 63.626 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.846 HA :: 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 :: 112.505 Ave N Shift Values>> N :: 116.28(3.52) 2.R22 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 178.442 CA :: 59.841 CB :: 40.076(S) CG :: 27.116 CD :: 41.185 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 :: 8.351 HA :: 4.046 HB2 :: 1.969 HB3 :: 1.825 HG2 :: 1.569 HG3 :: 1.489 HE :: 6.936 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 :: 118.722 NE :: 83.201 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 180.180 CA :: 66.878 CB :: 31.593 CG1 :: 19.123 CG2 :: 22.243 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 :: 7.997 HA :: 3.755 HB :: 2.326 HG11 :: 1.069 HG12 :: 1.069 HG13 :: 1.069 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 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 :: 119.616 Ave N Shift Values>> N :: 121.14(4.54) 2.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 177.107 CA :: 66.505 CB :: 32.003 CG1 :: 18.295 CG2 :: 21.758 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 :: 8.784 HA :: 3.613 HB :: 2.305 HG11 :: 0.962 HG12 :: 0.962 HG13 :: 0.962 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 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 :: 123.157 Ave N Shift Values>> N :: 121.14(4.54) 2.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 Y 0.23 N 0.18 C 0.13 L 0.13 I 0.02 C Shift Assignments>> C :: 173.455 CA :: 55.605 CB :: 39.609 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 :: 7.860 HA :: 4.700 HB2 :: 2.669 HB3 :: 2.879 HD21 :: 7.590 HD22 :: 8.059 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 :: 113.855 ND2 :: 118.980 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.31 K 0.28 Q 0.02 HN Overlap>> 2.E11 2.E11 C Shift Assignments>> C :: 175.096 CA :: 56.574 CB :: 25.973 CG :: 31.464 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 :: 7.843 HA :: 4.009 HB2 :: 2.227 HB3 :: 2.227 HG2 :: 2.324 HG3 :: 2.324 HE21 :: 6.784 HE22 :: 7.484 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 :: 116.722 NE2 :: 111.767 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.04 C 0.02 L 0.01 C Shift Assignments>> C :: 178.087 CA :: 52.142 CB :: 19.861 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.651 HA :: 4.341 HB1 :: 1.486 HB2 :: 1.486 HB3 :: 1.486 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.858 Ave N Shift Values>> N :: 123.23(3.54) 2.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.775 CA :: 59.419 CB :: 63.720 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.144 HA :: 4.282 HB2 :: 3.561 HB3 :: 3.561 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 :: 113.376 Ave N Shift Values>> N :: 116.28(3.52) 2.H29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 H 0.32 C Shift Assignments>> C :: 173.571 CA :: 55.158 CB :: 26.420 CD2 :: 118.320 CE1 :: 134.686 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 :: 8.202 HA :: 5.166 HB2 :: 2.956 HB3 :: 3.353 HD2 :: 7.411 HE1 :: 8.788 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 :: 114.073 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.1 C Shift Assignments>> CA :: 60.468 CB :: 33.806 CG1 :: 18.670 CG2 :: 18.670 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 :: 7.553 HA :: 4.679 HB :: 1.795 HG11 :: 1.044 HG12 :: 1.044 HG13 :: 1.044 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 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 :: 118.752 Ave N Shift Values>> N :: 121.14(4.54) 2.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.447 CA :: 58.858 CB :: 64.346 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.820 HA :: 4.505 HB2 :: 4.088 HB3 :: 4.377 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 :: 126.317 Ave N Shift Values>> N :: 116.28(3.52) 2.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.23 I 0.08 C 0.03 C Shift Assignments>> C :: 180.409 CA :: 55.999 CB :: 18.028 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.917 HA :: 4.147 HB1 :: 1.569 HB2 :: 1.569 HB3 :: 1.569 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.016 Ave N Shift Values>> N :: 123.23(3.54) 2.K33 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 V 0.01 C Shift Assignments>> C :: 179.160 CA :: 58.933 CB :: 31.850 CG :: 22.110 CD :: 26.333 CE :: 39.352 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 :: 8.403 HA :: 4.171 HB2 :: 1.845 HB3 :: 1.934 HG2 :: 1.591 HG3 :: 1.504 HD2 :: 1.746 HD3 :: 1.746 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 :: 116.329 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 C 0.33 C Shift Assignments>> C :: 175.334 CA :: 67.213 CB :: 66.018 CG2 :: 21.982 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 :: 7.571 HA :: 4.330 HB :: 3.816 HG21 :: 1.125 HG22 :: 1.125 HG23 :: 1.125 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 :: 120.143 Ave N Shift Values>> N :: 115.42(4.75) 2.R35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.73 K 0.24 C Shift Assignments>> C :: 177.935 CA :: 60.690 CB :: 29.705 CG :: 25.259 CD :: 40.690 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 :: 8.914 HA :: 3.752 HB2 :: 1.951 HB3 :: 1.870 HG2 :: 1.640 HG3 :: 1.584 HD2 :: 3.226 HD3 :: 3.375 HE :: 7.582 HH11 :: 7.559 HH12 :: 7.559 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 :: 123.006 NE :: 83.702 NH1 :: 113.702(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.23 K 0.23 E 0.05 M 0.04 I 0.01 R 0.01 C Shift Assignments>> C :: 179.314 CA :: 59.572 CB :: 29.661 CG :: 33.620 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 :: 8.087 HA :: 4.139 HB2 :: 2.181 HB3 :: 2.181 HG2 :: 2.532 HG3 :: 2.339 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 :: 117.095 Ave N Shift Values>> N :: 120.67(3.48) 2.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 179.616 CA :: 59.438 CB :: 32.610 CG :: 22.426 CD :: 26.898 CE :: 39.352 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 :: 7.618 HA :: 4.278 HB2 :: 2.125 HB3 :: 2.043 HG2 :: 1.670 HG3 :: 1.670 HD2 :: 1.845 HD3 :: 1.845 HE2 :: 2.979 HE3 :: 3.045 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 :: 119.341 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.V38 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 :: 177.710 CA :: 66.889 CB :: 31.609 CG1 :: 21.951 CG2 :: 20.857 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 :: 8.225 HA :: 3.531 HB :: 2.244 HG11 :: 0.971 HG12 :: 0.971 HG13 :: 0.971 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 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 :: 120.264 Ave N Shift Values>> N :: 121.14(4.54) 2.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.17 Q 0.15 E 0.12 I 0.09 R 0.01 M 0.01 C Shift Assignments>> C :: 179.999 CA :: 60.442 CB :: 29.041 CG :: 34.500 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 :: 9.053 HA :: 4.125 HB2 :: 2.058 HB3 :: 2.206 HG2 :: 2.587 HG3 :: 2.181 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 :: 120.724 Ave N Shift Values>> N :: 120.67(3.48) 2.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 179.929 CA :: 55.261 CB :: 17.847 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.079 HA :: 4.303 HB1 :: 1.640 HB2 :: 1.640 HB3 :: 1.640 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.977 Ave N Shift Values>> N :: 123.23(3.54) 2.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.14 L 0.1 C 0.1 V 0.03 T 0.01 C Shift Assignments>> C :: 179.018 CA :: 55.123 CB :: 20.281 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.625 HA :: 4.024 HB1 :: 1.670 HB2 :: 1.670 HB3 :: 1.670 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.279 Ave N Shift Values>> N :: 123.23(3.54) 2.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.21 Q 0.18 E 0.04 I 0.03 M 0.02 R 0.01 C Shift Assignments>> C :: 177.986 CA :: 60.622 CB :: 33.613 CG :: 29.582 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 :: 8.606 HA :: 3.764 HB2 :: 2.430 HB3 :: 2.310 HG2 :: 2.950 HG3 :: 2.950 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 :: 115.551 Ave N Shift Values>> N :: 120.09(3.57) 2.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 180.651 CA :: 54.632 CB :: 18.175 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.706 HA :: 4.317 HB1 :: 1.586 HB2 :: 1.586 HB3 :: 1.586 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.209 Ave N Shift Values>> N :: 123.23(3.54) 2.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.29 Q 0.2 M 0.07 R 0.05 E 0.01 C Shift Assignments>> C :: 178.325 CA :: 59.029 CB :: 29.368 CG :: 32.800 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 :: 8.178 HA :: 4.030 HB2 :: 2.142 HB3 :: 1.947 HG2 :: 2.409 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 :: 119.461 Ave N Shift Values>> N :: 120.67(3.48) 2.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 C 0.2 G 0.01 L 0.01 C Shift Assignments>> C :: 176.042 CA :: 54.472 CB :: 42.243 CG :: 24.551 CD1 :: 23.121 CD2 :: 19.260 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 :: 7.663 HA :: 4.203 HB2 :: 1.634 HB3 :: 1.487 HG :: 1.390 HD11 :: 0.458 HD12 :: 0.458 HD13 :: 0.458 HD21 :: 0.585 HD22 :: 0.585 HD23 :: 0.585 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.621 Ave N Shift Values>> N :: 121.86(3.9) 2.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.2 E 0.11 Y 0.09 M 0.07 D 0.04 K 0.01 L 0.01 C Shift Assignments>> C :: 174.023 CA :: 53.908 CB :: 37.180 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 :: 7.678 HA :: 4.305 HB2 :: 2.680 HB3 :: 3.177 HD21 :: 6.701 HD22 :: 7.392 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 :: 116.977 ND2 :: 111.038 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 Y 0.02 C Shift Assignments>> C :: 174.246 CA :: 58.734 CB :: 39.314 CD1 :: 129.853 CE1 :: 114.931 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 :: 7.960 HA :: 4.170 HB2 :: 2.451 HB3 :: 2.638 HD1 :: 6.763 HE1 :: 6.725 HH :: 9.488 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 :: 116.277 Ave N Shift Values>> N :: 120.52(4.2) 2.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> CA :: 57.796 CB :: 41.093 CG1 :: 24.322 CG2 :: 13.845 CD1 :: 10.177 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 :: 7.470 HA :: 4.024 HB :: 1.570 HG12 :: 1.397 HG13 :: 0.953 HG21 :: 0.789 HG22 :: 0.789 HG23 :: 0.789 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 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 :: 130.373 Ave N Shift Values>> N :: 121.46(4.28) 2.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.88 G 0.07 P 0.04 C Shift Assignments>> C :: 176.095 CA :: 62.553 CB :: 32.067 CG :: 24.389 CD :: 48.144 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 :: 4.150 HB2 :: 1.496 HB3 :: 2.154 HG2 :: 1.799 HG3 :: 1.891 HD2 :: 3.040 HD3 :: 3.410 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) 2.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.19 C 0.1 Y 0.09 L 0.05 C Shift Assignments>> C :: 175.686 CA :: 53.533 CB :: 38.831 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.072 HA :: 4.477 HB2 :: 2.728 HB3 :: 3.099 HD21 :: 6.875 HD22 :: 8.043 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.223 ND2 :: 113.338 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.R51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 K 0.18 L 0.02 C Shift Assignments>> C :: 179.546 CA :: 58.585 CB :: 29.743 CG :: 24.161 CD :: 40.179(S) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.360 HA :: 4.352 HB2 :: 1.895 HB3 :: 1.895 HG2 :: 1.755 HG3 :: 1.755 HD2 :: 3.224 HD3 :: 3.224 HE :: 7.138 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 :: 128.051 NE :: 84.679 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.C52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 R 0.16 H 0.16 C 0.15 K 0.13 E 0.09 Q 0.08 C Shift Assignments>> C :: 176.652 CA :: 54.973 CB :: 31.524 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.253 HA :: 4.784 HB2 :: 3.046 HB3 :: 2.729 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.282 Ave N Shift Values>> N :: 120.17(4.64) 2.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.43 C 0.04 I 0.04 V 0.01 C Shift Assignments>> C :: 180.369 CA :: 55.466 CB :: 18.774 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.967 HA :: 3.940 HB1 :: 1.843 HB2 :: 1.843 HB3 :: 1.843 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.372 Ave N Shift Values>> N :: 123.23(3.54) 2.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.17 M 0.16 Q 0.04 R 0.02 C Shift Assignments>> C :: 178.264 CA :: 59.609 CB :: 30.415 CG :: 31.305 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 :: 7.663 HA :: 4.020 HB2 :: 2.397 HB3 :: 1.909 HG2 :: 2.502 HG3 :: 2.684 HE21 :: 6.590 HE22 :: 8.358 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 :: 113.913 NE2 :: 113.371 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.3 Q 0.11 M 0.1 R 0.08 C Shift Assignments>> C :: 179.173 CA :: 58.680 CB :: 29.359 CG :: 31.909 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 :: 8.157 HA :: 3.997 HB2 :: 2.142 HB3 :: 2.291 HG2 :: 2.298 HG3 :: 2.502 HE21 :: 7.320 HE22 :: 6.728 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.295 NE2 :: 110.403 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 G 0.07 A 0.07 L 0.03 C Shift Assignments>> C :: 177.784 CA :: 57.571 CB :: 42.541 CG :: 24.052 CD1 :: 21.414 CD2 :: 21.414 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 :: 8.108 HA :: 3.905 HB2 :: 1.167 HB3 :: 1.408 HG :: 1.280 HD11 :: 0.588 HD12 :: 0.588 HD13 :: 0.588 HD21 :: 0.210 HD22 :: 0.210 HD23 :: 0.210 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 :: 120.890 Ave N Shift Values>> N :: 121.86(3.9) 2.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 L 0.15 C 0.07 M 0.02 C Shift Assignments>> C :: 178.678 CA :: 53.163 CB :: 21.095 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.711 HA :: 4.211 HB1 :: 1.446 HB2 :: 1.446 HB3 :: 1.446 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.920 Ave N Shift Values>> N :: 123.23(3.54) 2.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.407 CA :: 45.507 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.428 HA2 :: 4.096 HA3 :: 3.898 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.456 Ave N Shift Values>> N :: 109.67(3.87) 2.K59 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 A 0.09 HN Overlap>> 2.V4 2.V4 C Shift Assignments>> C :: 176.535 CA :: 56.126 CB :: 32.294 CG :: 22.037 CD :: 26.215 CE :: 39.547 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 :: 8.141 HA :: 4.359 HB2 :: 1.840 HB3 :: 1.731 HG2 :: 1.403 HG3 :: 1.468 HD2 :: 1.678 HD3 :: 1.678 HE2 :: 2.998 HE3 :: 2.998 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 :: 120.641 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.31 M 0.19 R 0.11 Q 0.05 C Shift Assignments>> C :: 175.928 CA :: 55.719 CB :: 29.582 CG :: 31.155 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 :: 8.299 HA :: 4.380 HB2 :: 1.984 HB3 :: 2.138 HG2 :: 2.385 HG3 :: 2.385 HE21 :: 7.533 HE22 :: 6.822 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 :: 121.366 NE2 :: 112.310 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.346 CA :: 58.061 CB :: 63.927 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.215 HA :: 4.484 HB2 :: 3.864 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 :: 117.477 Ave N Shift Values>> N :: 116.28(3.52) 2.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 G 0.25 L 0.12 A 0.12 C Shift Assignments>> CA :: 56.737 CB :: 43.627 CG :: 24.620 CD1 :: 22.680 CD2 :: 21.130 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 :: 7.763 HA :: 4.260 HB2 :: 1.602 HB3 :: 1.602 HG :: 1.602 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 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 :: 129.687 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 55 #Clerical: 0 #Suspicious: 1 #Anomalous: 1 #Mistyped: 5 #Indeterminable: 0 Typing Results: #Consistent: 55 #Suspicious: 0 #Mistyped: 5 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 62 #Suspicious: 0 C Shift Results: #Consistent: 244 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 H Shift Results: #Consistent: 410 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 69 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 2.Y12 Typing: Mistyped 2.Y12 CG = 175.115(A), Expected = 129.75, Std = 4.9600, ChiSquare = 5.8988e-20 2.V15 Typing: Mistyped 2.V15 CG1 = 16.063(S), Expected = 21.49, Std = 1.3600, ChiSquare = 6.5951e-05 2.R22 Typing: Mistyped 2.R22 CB = 40.076(S), Expected = 30.70, Std = 1.8300, ChiSquare = 2.9992e-07 2.K33 Typing: Mistyped 2.R35 NH1 = 113.702(A), Expected = 73.82, Std = 4.6200, ChiSquare = 6.0042e-18 2.R51 CD = 40.179(S), Expected = 43.16, Std = 0.8800, ChiSquare = 7.0533e-04 2.K59 Typing: Mistyped